# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/345c8de5-60de-4e59-ad40-409d1595465e/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 CdI2 / P3m1 (156) / materials id 570511](https://mdr.nims.go.jp/datasets/19c61761-1147-4458-bef1-b597cf62b097) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P3m1" number: 156 Hall_symbol: "P 3 -2\""supercell_matrix:- [ 3, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 4.221846740000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110923370000000, 3.656226530000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 34.262017960000001 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.050028030000000 ] mass: 112.411000 - symbol: Cd # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.850082580000000 ] mass: 112.411000 - symbol: Cd # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.449967740000000 ] mass: 112.411000 - symbol: Cd # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.650027780000000 ] mass: 112.411000 - symbol: Cd # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.249919980000000 ] mass: 112.411000 - symbol: I # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.200149040000000 ] mass: 126.904470 - symbol: I # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.899845800000000 ] mass: 126.904470 - symbol: I # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.099777320000000 ] mass: 126.904470 - symbol: I # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.299670810000000 ] mass: 126.904470 - symbol: I # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000255290000000 ] mass: 126.904470 - symbol: I # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.499723410000000 ] mass: 126.904470 - symbol: I # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.699780830000000 ] mass: 126.904470 - symbol: I # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.400197500000000 ] mass: 126.904470 - symbol: I # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.600261560000000 ] mass: 126.904470 - symbol: I # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.800312320000000 ] mass: 126.904470 reciprocal_lattice: # without 2pi - [ 0.236863169504822, 0.136753014589608, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.273506029179215, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.029186838941229 ] # c*unit_cell: lattice: - [ 4.221846740000000, 0.000000000000000, 0.000000000000000 ] # a - [ -2.110923370000000, 3.656226530000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 34.262017960000001 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.050028030000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.666666670000000, 0.333333330000000, 0.850082580000000 ] mass: 112.411000 reduced_to: 2 - symbol: Cd # 3 coordinates: [ 0.666666670000000, 0.333333330000000, 0.449967740000000 ] mass: 112.411000 reduced_to: 3 - symbol: Cd # 4 coordinates: [ 0.666666670000000, 0.333333330000000, 0.650027780000000 ] mass: 112.411000 reduced_to: 4 - symbol: Cd # 5 coordinates: [ 0.666666670000000, 0.333333330000000, 0.249919980000000 ] mass: 112.411000 reduced_to: 5 - symbol: I # 6 coordinates: [ 0.333333330000000, 0.666666670000000, 0.200149040000000 ] mass: 126.904470 reduced_to: 6 - symbol: I # 7 coordinates: [ 0.000000000000000, 0.000000000000000, 0.899845800000000 ] mass: 126.904470 reduced_to: 7 - symbol: I # 8 coordinates: [ 0.666666670000000, 0.333333330000000, 0.099777320000000 ] mass: 126.904470 reduced_to: 8 - symbol: I # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.299670810000000 ] mass: 126.904470 reduced_to: 9 - symbol: I # 10 coordinates: [ 0.333333330000000, 0.666666670000000, 0.000255290000000 ] mass: 126.904470 reduced_to: 10 - symbol: I # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.499723410000000 ] mass: 126.904470 reduced_to: 11 - symbol: I # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.699780830000000 ] mass: 126.904470 reduced_to: 12 - symbol: I # 13 coordinates: [ 0.333333330000000, 0.666666670000000, 0.400197500000000 ] mass: 126.904470 reduced_to: 13 - symbol: I # 14 coordinates: [ 0.333333330000000, 0.666666670000000, 0.600261560000000 ] mass: 126.904470 reduced_to: 14 - symbol: I # 15 coordinates: [ 0.333333330000000, 0.666666670000000, 0.800312320000000 ] mass: 126.904470 reduced_to: 15supercell: lattice: - [ 12.665540220000000, 0.000000000000000, 0.000000000000000 ] # a - [ -6.332770110000000, 10.968679590000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 34.262017960000001 ] # c points: - symbol: Cd # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.050028030000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 2 coordinates: [ 0.333333333333333, 0.000000000000000, 0.050028030000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 3 coordinates: [ 0.666666666666667, 0.000000000000000, 0.050028030000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 4 coordinates: [ 0.000000000000000, 0.333333333333333, 0.050028030000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 5 coordinates: [ 0.333333333333333, 0.333333333333333, 0.050028030000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 6 coordinates: [ 0.666666666666667, 0.333333333333333, 0.050028030000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 7 coordinates: [ 0.000000000000000, 0.666666666666667, 0.050028030000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 8 coordinates: [ 0.333333333333333, 0.666666666666667, 0.050028030000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 9 coordinates: [ 0.666666666666667, 0.666666666666667, 0.050028030000000 ] mass: 112.411000 reduced_to: 1 - symbol: Cd # 10 coordinates: [ 0.222222223333333, 0.111111110000000, 0.850082580000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 11 coordinates: [ 0.555555556666667, 0.111111110000000, 0.850082580000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 12 coordinates: [ 0.888888890000000, 0.111111110000000, 0.850082580000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 13 coordinates: [ 0.222222223333333, 0.444444443333333, 0.850082580000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 14 coordinates: [ 0.555555556666667, 0.444444443333333, 0.850082580000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 15 coordinates: [ 0.888888890000000, 0.444444443333333, 0.850082580000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 16 coordinates: [ 0.222222223333333, 0.777777776666667, 0.850082580000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 17 coordinates: [ 0.555555556666667, 0.777777776666667, 0.850082580000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 18 coordinates: [ 0.888888890000000, 0.777777776666667, 0.850082580000000 ] mass: 112.411000 reduced_to: 10 - symbol: Cd # 19 coordinates: [ 0.222222223333333, 0.111111110000000, 0.449967740000000 ] mass: 112.411000 reduced_to: 19 - symbol: Cd # 20 coordinates: [ 0.555555556666667, 0.111111110000000, 0.449967740000000 ] mass: 112.411000 reduced_to: 19 - symbol: Cd # 21 coordinates: [ 0.888888890000000, 0.111111110000000, 0.449967740000000 ] mass: 112.411000 reduced_to: 19 - symbol: Cd # 22 coordinates: [ 0.222222223333333, 0.444444443333333, 0.449967740000000 ] mass: 112.411000 reduced_to: 19 - symbol: Cd # 23 coordinates: [ 0.555555556666667, 0.444444443333333, 0.449967740000000 ] mass: 112.411000 reduced_to: 19 - symbol: Cd # 24 coordinates: [ 0.888888890000000, 0.444444443333333, 0.449967740000000 ] mass: 112.411000 reduced_to: 19 - symbol: Cd # 25 coordinates: [ 0.222222223333333, 0.777777776666667, 0.449967740000000 ] mass: 112.411000 reduced_to: 19 - symbol: Cd # 26 coordinates: [ 0.555555556666667, 0.777777776666667, 0.449967740000000 ] mass: 112.411000 reduced_to: 19 - symbol: Cd # 27 coordinates: [ 0.888888890000000, 0.777777776666667, 0.449967740000000 ] mass: 112.411000 reduced_to: 19 - symbol: Cd # 28 coordinates: [ 0.222222223333333, 0.111111110000000, 0.650027780000000 ] mass: 112.411000 reduced_to: 28 - symbol: Cd # 29 coordinates: [ 0.555555556666667, 0.111111110000000, 0.650027780000000 ] mass: 112.411000 reduced_to: 28 - symbol: Cd # 30 coordinates: [ 0.888888890000000, 0.111111110000000, 0.650027780000000 ] mass: 112.411000 reduced_to: 28 - symbol: Cd # 31 coordinates: [ 0.222222223333333, 0.444444443333333, 0.650027780000000 ] mass: 112.411000 reduced_to: 28 - symbol: Cd # 32 coordinates: [ 0.555555556666667, 0.444444443333333, 0.650027780000000 ] mass: 112.411000 reduced_to: 28 - symbol: Cd # 33 coordinates: [ 0.888888890000000, 0.444444443333333, 0.650027780000000 ] mass: 112.411000 reduced_to: 28 - symbol: Cd # 34 coordinates: [ 0.222222223333333, 0.777777776666667, 0.650027780000000 ] mass: 112.411000 reduced_to: 28 - symbol: Cd # 35 coordinates: [ 0.555555556666667, 0.777777776666667, 0.650027780000000 ] mass: 112.411000 reduced_to: 28 - symbol: Cd # 36 coordinates: [ 0.888888890000000, 0.777777776666667, 0.650027780000000 ] mass: 112.411000 reduced_to: 28 - symbol: Cd # 37 coordinates: [ 0.222222223333333, 0.111111110000000, 0.249919980000000 ] mass: 112.411000 reduced_to: 37 - symbol: Cd # 38 coordinates: [ 0.555555556666667, 0.111111110000000, 0.249919980000000 ] mass: 112.411000 reduced_to: 37 - symbol: Cd # 39 coordinates: [ 0.888888890000000, 0.111111110000000, 0.249919980000000 ] mass: 112.411000 reduced_to: 37 - symbol: Cd # 40 coordinates: [ 0.222222223333333, 0.444444443333333, 0.249919980000000 ] mass: 112.411000 reduced_to: 37 - symbol: Cd # 41 coordinates: [ 0.555555556666667, 0.444444443333333, 0.249919980000000 ] mass: 112.411000 reduced_to: 37 - symbol: Cd # 42 coordinates: [ 0.888888890000000, 0.444444443333333, 0.249919980000000 ] mass: 112.411000 reduced_to: 37 - symbol: Cd # 43 coordinates: [ 0.222222223333333, 0.777777776666667, 0.249919980000000 ] mass: 112.411000 reduced_to: 37 - symbol: Cd # 44 coordinates: [ 0.555555556666667, 0.777777776666667, 0.249919980000000 ] mass: 112.411000 reduced_to: 37 - symbol: Cd # 45 coordinates: [ 0.888888890000000, 0.777777776666667, 0.249919980000000 ] mass: 112.411000 reduced_to: 37 - symbol: I # 46 coordinates: [ 0.111111110000000, 0.222222223333333, 0.200149040000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 47 coordinates: [ 0.444444443333333, 0.222222223333333, 0.200149040000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 48 coordinates: [ 0.777777776666667, 0.222222223333333, 0.200149040000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 49 coordinates: [ 0.111111110000000, 0.555555556666667, 0.200149040000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 50 coordinates: [ 0.444444443333333, 0.555555556666667, 0.200149040000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 51 coordinates: [ 0.777777776666667, 0.555555556666667, 0.200149040000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 52 coordinates: [ 0.111111110000000, 0.888888890000000, 0.200149040000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 53 coordinates: [ 0.444444443333333, 0.888888890000000, 0.200149040000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 54 coordinates: [ 0.777777776666667, 0.888888890000000, 0.200149040000000 ] mass: 126.904470 reduced_to: 46 - symbol: I # 55 coordinates: [ 0.000000000000000, 0.000000000000000, 0.899845800000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 56 coordinates: [ 0.333333333333333, 0.000000000000000, 0.899845800000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 57 coordinates: [ 0.666666666666667, 0.000000000000000, 0.899845800000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 58 coordinates: [ 0.000000000000000, 0.333333333333333, 0.899845800000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 59 coordinates: [ 0.333333333333333, 0.333333333333333, 0.899845800000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 60 coordinates: [ 0.666666666666667, 0.333333333333333, 0.899845800000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 61 coordinates: [ 0.000000000000000, 0.666666666666667, 0.899845800000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 62 coordinates: [ 0.333333333333333, 0.666666666666667, 0.899845800000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 63 coordinates: [ 0.666666666666667, 0.666666666666667, 0.899845800000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 64 coordinates: [ 0.222222223333333, 0.111111110000000, 0.099777320000000 ] mass: 126.904470 reduced_to: 64 - symbol: I # 65 coordinates: [ 0.555555556666667, 0.111111110000000, 0.099777320000000 ] mass: 126.904470 reduced_to: 64 - symbol: I # 66 coordinates: [ 0.888888890000000, 0.111111110000000, 0.099777320000000 ] mass: 126.904470 reduced_to: 64 - symbol: I # 67 coordinates: [ 0.222222223333333, 0.444444443333333, 0.099777320000000 ] mass: 126.904470 reduced_to: 64 - symbol: I # 68 coordinates: [ 0.555555556666667, 0.444444443333333, 0.099777320000000 ] mass: 126.904470 reduced_to: 64 - symbol: I # 69 coordinates: [ 0.888888890000000, 0.444444443333333, 0.099777320000000 ] mass: 126.904470 reduced_to: 64 - symbol: I # 70 coordinates: [ 0.222222223333333, 0.777777776666667, 0.099777320000000 ] mass: 126.904470 reduced_to: 64 - symbol: I # 71 coordinates: [ 0.555555556666667, 0.777777776666667, 0.099777320000000 ] mass: 126.904470 reduced_to: 64 - symbol: I # 72 coordinates: [ 0.888888890000000, 0.777777776666667, 0.099777320000000 ] mass: 126.904470 reduced_to: 64 - symbol: I # 73 coordinates: [ 0.000000000000000, 0.000000000000000, 0.299670810000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 74 coordinates: [ 0.333333333333333, 0.000000000000000, 0.299670810000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 75 coordinates: [ 0.666666666666667, 0.000000000000000, 0.299670810000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 76 coordinates: [ 0.000000000000000, 0.333333333333333, 0.299670810000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 77 coordinates: [ 0.333333333333333, 0.333333333333333, 0.299670810000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 78 coordinates: [ 0.666666666666667, 0.333333333333333, 0.299670810000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 79 coordinates: [ 0.000000000000000, 0.666666666666667, 0.299670810000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 80 coordinates: [ 0.333333333333333, 0.666666666666667, 0.299670810000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 81 coordinates: [ 0.666666666666667, 0.666666666666667, 0.299670810000000 ] mass: 126.904470 reduced_to: 73 - symbol: I # 82 coordinates: [ 0.111111110000000, 0.222222223333333, 0.000255290000000 ] mass: 126.904470 reduced_to: 82 - symbol: I # 83 coordinates: [ 0.444444443333333, 0.222222223333333, 0.000255290000000 ] mass: 126.904470 reduced_to: 82 - symbol: I # 84 coordinates: [ 0.777777776666667, 0.222222223333333, 0.000255290000000 ] mass: 126.904470 reduced_to: 82 - symbol: I # 85 coordinates: [ 0.111111110000000, 0.555555556666667, 0.000255290000000 ] mass: 126.904470 reduced_to: 82 - symbol: I # 86 coordinates: [ 0.444444443333333, 0.555555556666667, 0.000255290000000 ] mass: 126.904470 reduced_to: 82 - symbol: I # 87 coordinates: [ 0.777777776666667, 0.555555556666667, 0.000255290000000 ] mass: 126.904470 reduced_to: 82 - symbol: I # 88 coordinates: [ 0.111111110000000, 0.888888890000000, 0.000255290000000 ] mass: 126.904470 reduced_to: 82 - symbol: I # 89 coordinates: [ 0.444444443333333, 0.888888890000000, 0.000255290000000 ] mass: 126.904470 reduced_to: 82 - symbol: I # 90 coordinates: [ 0.777777776666667, 0.888888890000000, 0.000255290000000 ] mass: 126.904470 reduced_to: 82 - symbol: I # 91 coordinates: [ 0.000000000000000, 0.000000000000000, 0.499723410000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 92 coordinates: [ 0.333333333333333, 0.000000000000000, 0.499723410000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 93 coordinates: [ 0.666666666666667, 0.000000000000000, 0.499723410000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 94 coordinates: [ 0.000000000000000, 0.333333333333333, 0.499723410000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 95 coordinates: [ 0.333333333333333, 0.333333333333333, 0.499723410000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 96 coordinates: [ 0.666666666666667, 0.333333333333333, 0.499723410000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 97 coordinates: [ 0.000000000000000, 0.666666666666667, 0.499723410000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 98 coordinates: [ 0.333333333333333, 0.666666666666667, 0.499723410000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 99 coordinates: [ 0.666666666666667, 0.666666666666667, 0.499723410000000 ] mass: 126.904470 reduced_to: 91 - symbol: I # 100 coordinates: [ 0.000000000000000, 0.000000000000000, 0.699780830000000 ] mass: 126.904470 reduced_to: 100 - symbol: I # 101 coordinates: [ 0.333333333333333, 0.000000000000000, 0.699780830000000 ] mass: 126.904470 reduced_to: 100 - symbol: I # 102 coordinates: [ 0.666666666666667, 0.000000000000000, 0.699780830000000 ] mass: 126.904470 reduced_to: 100 - symbol: I # 103 coordinates: [ 0.000000000000000, 0.333333333333333, 0.699780830000000 ] mass: 126.904470 reduced_to: 100 - symbol: I # 104 coordinates: [ 0.333333333333333, 0.333333333333333, 0.699780830000000 ] mass: 126.904470 reduced_to: 100 - symbol: I # 105 coordinates: [ 0.666666666666667, 0.333333333333333, 0.699780830000000 ] mass: 126.904470 reduced_to: 100 - symbol: I # 106 coordinates: [ 0.000000000000000, 0.666666666666667, 0.699780830000000 ] mass: 126.904470 reduced_to: 100 - symbol: I # 107 coordinates: [ 0.333333333333333, 0.666666666666667, 0.699780830000000 ] mass: 126.904470 reduced_to: 100 - symbol: I # 108 coordinates: [ 0.666666666666667, 0.666666666666667, 0.699780830000000 ] mass: 126.904470 reduced_to: 100 - symbol: I # 109 coordinates: [ 0.111111110000000, 0.222222223333333, 0.400197500000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 110 coordinates: [ 0.444444443333333, 0.222222223333333, 0.400197500000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 111 coordinates: [ 0.777777776666667, 0.222222223333333, 0.400197500000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 112 coordinates: [ 0.111111110000000, 0.555555556666667, 0.400197500000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 113 coordinates: [ 0.444444443333333, 0.555555556666667, 0.400197500000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 114 coordinates: [ 0.777777776666667, 0.555555556666667, 0.400197500000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 115 coordinates: [ 0.111111110000000, 0.888888890000000, 0.400197500000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 116 coordinates: [ 0.444444443333333, 0.888888890000000, 0.400197500000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 117 coordinates: [ 0.777777776666667, 0.888888890000000, 0.400197500000000 ] mass: 126.904470 reduced_to: 109 - symbol: I # 118 coordinates: [ 0.111111110000000, 0.222222223333333, 0.600261560000000 ] mass: 126.904470 reduced_to: 118 - symbol: I # 119 coordinates: [ 0.444444443333333, 0.222222223333333, 0.600261560000000 ] mass: 126.904470 reduced_to: 118 - symbol: I # 120 coordinates: [ 0.777777776666667, 0.222222223333333, 0.600261560000000 ] mass: 126.904470 reduced_to: 118 - symbol: I # 121 coordinates: [ 0.111111110000000, 0.555555556666667, 0.600261560000000 ] mass: 126.904470 reduced_to: 118 - symbol: I # 122 coordinates: [ 0.444444443333333, 0.555555556666667, 0.600261560000000 ] mass: 126.904470 reduced_to: 118 - symbol: I # 123 coordinates: [ 0.777777776666667, 0.555555556666667, 0.600261560000000 ] mass: 126.904470 reduced_to: 118 - symbol: I # 124 coordinates: [ 0.111111110000000, 0.888888890000000, 0.600261560000000 ] mass: 126.904470 reduced_to: 118 - symbol: I # 125 coordinates: [ 0.444444443333333, 0.888888890000000, 0.600261560000000 ] mass: 126.904470 reduced_to: 118 - symbol: I # 126 coordinates: [ 0.777777776666667, 0.888888890000000, 0.600261560000000 ] mass: 126.904470 reduced_to: 118 - symbol: I # 127 coordinates: [ 0.111111110000000, 0.222222223333333, 0.800312320000000 ] mass: 126.904470 reduced_to: 127 - symbol: I # 128 coordinates: [ 0.444444443333333, 0.222222223333333, 0.800312320000000 ] mass: 126.904470 reduced_to: 127 - symbol: I # 129 coordinates: [ 0.777777776666667, 0.222222223333333, 0.800312320000000 ] mass: 126.904470 reduced_to: 127 - symbol: I # 130 coordinates: [ 0.111111110000000, 0.555555556666667, 0.800312320000000 ] mass: 126.904470 reduced_to: 127 - symbol: I # 131 coordinates: [ 0.444444443333333, 0.555555556666667, 0.800312320000000 ] mass: 126.904470 reduced_to: 127 - symbol: I # 132 coordinates: [ 0.777777776666667, 0.555555556666667, 0.800312320000000 ] mass: 126.904470 reduced_to: 127 - symbol: I # 133 coordinates: [ 0.111111110000000, 0.888888890000000, 0.800312320000000 ] mass: 126.904470 reduced_to: 127 - symbol: I # 134 coordinates: [ 0.444444443333333, 0.888888890000000, 0.800312320000000 ] mass: 126.904470 reduced_to: 127 - symbol: I # 135 coordinates: [ 0.777777776666667, 0.888888890000000, 0.800312320000000 ] mass: 126.904470 reduced_to: 127born_effective_charge:- # 1 (Cd) - [ 3.017546620000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.017546620000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.683526110000000 ]- # 2 (Cd) - [ 3.034682410000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.034682410000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.691508700000000 ]- # 3 (Cd) - [ 3.039193390000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.039193390000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.690787780000000 ]- # 4 (Cd) - [ 3.039101340000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.039101340000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.691058540000000 ]- # 5 (Cd) - [ 3.021877460000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 3.021877460000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 1.682444140000000 ]- # 6 (I) - [ -1.501141940000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.501141940000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.846000060000000 ]- # 7 (I) - [ -1.502664420000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.502664420000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.835015340000000 ]- # 8 (I) - [ -1.514051100000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.514051100000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.835016380000000 ]- # 9 (I) - [ -1.531128780000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.531128780000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.844426420000000 ]- # 10 (I) - [ -1.501587500000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.501587500000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.848401120000000 ]- # 11 (I) - [ -1.519948060000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.519948060000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.844403880000000 ]- # 12 (I) - [ -1.519988530000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.519988530000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.844869030000000 ]- # 13 (I) - [ -1.520436320000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.520436320000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.846330770000000 ]- # 14 (I) - [ -1.520405810000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.520405810000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.846669880000000 ]- # 15 (I) - [ -1.521048790000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.521048790000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -0.848192400000000 ]dielectric_constant: - [ 6.048465190000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 6.048465190000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.850656280000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0346826600000000, -0.0000014600000000, -0.0005411500000000 ] - [ 0.0062545400000000, -0.0000015100000000, -0.0005302800000000 ] - [ 0.0060934500000000, 0.0000012800000000, -0.0005151100000000 ] - [ -0.0005647300000000, -0.0038193500000000, 0.0017549400000000 ] - [ -0.0005102300000000, 0.0039326100000000, -0.0028083800000000 ] - [ 0.0014359500000000, 0.0000006200000000, -0.0004969600000000 ] - [ -0.0005101600000000, -0.0039304500000000, 0.0017547900000000 ] - [ 0.0014354600000000, -0.0000006300000000, -0.0005005500000000 ] - [ -0.0005642800000000, 0.0038171000000000, -0.0027931900000000 ] - [ -0.0002206800000000, 0.0000800900000000, 0.0001626300000000 ] - [ 0.0004813400000000, 0.0000315900000000, 0.0001786900000000 ] - [ -0.0002130000000000, -0.0000835100000000, 0.0001905900000000 ] - [ 0.0000393100000000, -0.0000374300000000, 0.0001743700000000 ] - [ 0.0000042200000000, 0.0002745700000000, 0.0003856400000000 ] - [ -0.0000489600000000, -0.0003069600000000, -0.0000277800000000 ] - [ 0.0001435900000000, -0.0000602500000000, -0.0000212200000000 ] - [ 0.0002076300000000, 0.0000972400000000, 0.0003694300000000 ] - [ -0.0003584500000000, 0.0000048500000000, 0.0001766400000000 ] - [ -0.0000115600000000, -0.0000020700000000, -0.0005793000000000 ] - [ 0.0000003700000000, 0.0000533800000000, -0.0005682500000000 ] - [ 0.0000126800000000, -0.0000116300000000, -0.0005829200000000 ] - [ 0.0000069400000000, -0.0000669700000000, -0.0005238200000000 ] - [ 0.0000435400000000, -0.0000249400000000, -0.0005676800000000 ] - [ -0.0000485500000000, -0.0000283000000000, -0.0005686100000000 ] - [ -0.0000536100000000, 0.0000352700000000, -0.0005219100000000 ] - [ 0.0000623600000000, 0.0000322700000000, -0.0005259900000000 ] - [ -0.0000077600000000, 0.0000140300000000, -0.0005810500000000 ] - [ -0.0000077200000000, -0.0000033500000000, -0.0005639900000000 ] - [ 0.0000038800000000, 0.0000329100000000, -0.0005718500000000 ] - [ 0.0000049600000000, -0.0000035100000000, -0.0005652700000000 ] - [ -0.0000029800000000, -0.0000404000000000, -0.0005431200000000 ] - [ 0.0000305700000000, -0.0000155300000000, -0.0005706900000000 ] - [ -0.0000260000000000, -0.0000173300000000, -0.0005729200000000 ] - [ -0.0000336000000000, 0.0000180500000000, -0.0005432000000000 ] - [ 0.0000361000000000, 0.0000228900000000, -0.0005429200000000 ] - [ -0.0000015500000000, 0.0000073300000000, -0.0005646500000000 ] - [ -0.0002284200000000, 0.0000752300000000, -0.0002266500000000 ] - [ 0.0004823900000000, 0.0000746000000000, -0.0004179600000000 ] - [ -0.0002060100000000, -0.0000886000000000, -0.0006271200000000 ] - [ 0.0000393000000000, -0.0001063500000000, -0.0003979800000000 ] - [ 0.0000423500000000, 0.0002544100000000, -0.0002669700000000 ] - [ -0.0000872500000000, -0.0003285700000000, -0.0005696400000000 ] - [ 0.0000835700000000, -0.0000256000000000, -0.0003535400000000 ] - [ 0.0002683600000000, 0.0001321700000000, -0.0004426900000000 ] - [ -0.0003591700000000, 0.0000129500000000, -0.0004274300000000 ] - [ 0.0000964700000000, -0.0000017100000000, -0.0004224700000000 ] - [ -0.0001483900000000, -0.0000602900000000, -0.0007134000000000 ] - [ -0.0001305500000000, 0.0000502900000000, -0.0001272900000000 ] - [ 0.0000248400000000, 0.0000696700000000, -0.0004499100000000 ] - [ 0.0000078800000000, -0.0000597600000000, -0.0003934600000000 ] - [ -0.0000437000000000, 0.0000099800000000, -0.0004195000000000 ] - [ 0.0000525100000000, 0.0000257400000000, -0.0005037300000000 ] - [ -0.0000957000000000, -0.0000095900000000, -0.0004216800000000 ] - [ 0.0000552900000000, -0.0000233800000000, -0.0003396700000000 ] - [ 0.0001485200000000, -0.0000004600000000, 0.0006414600000000 ] - [ -0.0001276400000000, -0.0000759200000000, 0.0008484300000000 ] - [ -0.0001320400000000, 0.0000751900000000, 0.0004357100000000 ] - [ 0.0000234600000000, 0.0000506400000000, 0.0006610900000000 ] - [ 0.0000259500000000, -0.0000468700000000, 0.0006217700000000 ] - [ -0.0000171800000000, -0.0000002300000000, 0.0006436700000000 ] - [ 0.0000563100000000, 0.0001456500000000, 0.0008682500000000 ] - [ -0.0000986600000000, -0.0000000500000000, 0.0006432900000000 ] - [ 0.0000539000000000, -0.0001488100000000, 0.0004163300000000 ] - [ 0.0065455800000000, 0.0031503400000000, 0.0093305900000000 ] - [ -0.0012304200000000, 0.0000082400000000, 0.0011210100000000 ] - [ 0.0063006000000000, -0.0029604800000000, -0.0068071900000000 ] - [ 0.0004327000000000, -0.0000080700000000, 0.0011181500000000 ] - [ -0.0002088600000000, -0.0005915200000000, 0.0011969500000000 ] - [ -0.0002215900000000, 0.0005807500000000, 0.0010450400000000 ] - [ -0.0008845400000000, 0.0007620700000000, 0.0007337800000000 ] - [ -0.0008685700000000, -0.0007497200000000, 0.0014980800000000 ] - [ 0.0011319500000000, 0.0000292400000000, 0.0010986000000000 ] - [ 0.0000540000000000, -0.0000000700000000, 0.0006206100000000 ] - [ -0.0000080300000000, 0.0000487900000000, 0.0005471100000000 ] - [ -0.0000295100000000, -0.0000499000000000, 0.0006897200000000 ] - [ 0.0000807100000000, 0.0000163500000000, 0.0006042500000000 ] - [ 0.0000904100000000, 0.0000021400000000, 0.0006321300000000 ] - [ -0.0002053100000000, -0.0000003500000000, 0.0006180700000000 ] - [ 0.0000025900000000, 0.0000530200000000, 0.0005331200000000 ] - [ 0.0000057000000000, -0.0000001300000000, 0.0006176800000000 ] - [ -0.0000089800000000, -0.0000712300000000, 0.0007036000000000 ] - [ 0.0011200600000000, -0.0000292900000000, -0.0004434500000000 ] - [ -0.0008839400000000, -0.0007628800000000, -0.0000994200000000 ] - [ -0.0008691700000000, 0.0007510800000000, -0.0008482500000000 ] - [ -0.0002090700000000, 0.0006069300000000, -0.0005291600000000 ] - [ -0.0002220500000000, -0.0005959400000000, -0.0004072900000000 ] - [ 0.0004345500000000, 0.0000073900000000, -0.0004759100000000 ] - [ 0.0064468000000000, -0.0031002000000000, -0.0086544200000000 ] - [ -0.0012572600000000, -0.0000083700000000, -0.0004683500000000 ] - [ 0.0062025100000000, 0.0029107000000000, 0.0074418400000000 ] - [ 0.0000032800000000, -0.0000001500000000, 0.0010057700000000 ] - [ 0.0000071800000000, -0.0000005100000000, 0.0009977600000000 ] - [ -0.0000091200000000, 0.0000000100000000, 0.0009970000000000 ] - [ -0.0000025600000000, 0.0000074500000000, 0.0009961600000000 ] - [ 0.0000053700000000, 0.0000063500000000, 0.0009984900000000 ] - [ 0.0000006800000000, -0.0000001900000000, 0.0009922700000000 ] - [ 0.0000050800000000, -0.0000052100000000, 0.0009965500000000 ] - [ 0.0000016300000000, -0.0000001200000000, 0.0009926700000000 ] - [ -0.0000032200000000, -0.0000090300000000, 0.0009980800000000 ] - [ 0.0000038100000000, -0.0000001300000000, 0.0012387500000000 ] - [ 0.0000022400000000, -0.0000004000000000, 0.0012343200000000 ] - [ -0.0000050200000000, -0.0000001700000000, 0.0012340200000000 ] - [ 0.0000001600000000, 0.0000056500000000, 0.0012313700000000 ] - [ 0.0000035700000000, 0.0000004600000000, 0.0012369800000000 ] - [ -0.0000028800000000, -0.0000001600000000, 0.0012301500000000 ] - [ 0.0000045100000000, -0.0000016500000000, 0.0012314800000000 ] - [ -0.0000045800000000, -0.0000001500000000, 0.0012305500000000 ] - [ 0.0000006700000000, -0.0000048100000000, 0.0012368100000000 ] - [ 0.0000025400000000, -0.0000008800000000, -0.0005950200000000 ] - [ -0.0000072600000000, -0.0000070800000000, -0.0005855000000000 ] - [ 0.0000059300000000, -0.0000002700000000, -0.0005904500000000 ] - [ 0.0000039900000000, 0.0000048400000000, -0.0005965200000000 ] - [ -0.0000098700000000, 0.0000033100000000, -0.0005903600000000 ] - [ 0.0000052400000000, 0.0000077100000000, -0.0005879700000000 ] - [ 0.0000020300000000, 0.0000003900000000, -0.0005991100000000 ] - [ -0.0000042500000000, -0.0000078800000000, -0.0005934200000000 ] - [ 0.0000037600000000, 0.0000008300000000, -0.0005907700000000 ] - [ -0.0000005000000000, 0.0000009800000000, -0.0009311000000000 ] - [ -0.0000020500000000, -0.0000020300000000, -0.0009252600000000 ] - [ 0.0000035900000000, -0.0000009600000000, -0.0009241400000000 ] - [ 0.0000028800000000, 0.0000012400000000, -0.0009312900000000 ] - [ -0.0000023900000000, 0.0000020300000000, -0.0009285400000000 ] - [ 0.0000016900000000, 0.0000033700000000, -0.0009246900000000 ] - [ 0.0000017000000000, -0.0000011900000000, -0.0009317500000000 ] - [ 0.0000009200000000, -0.0000029500000000, -0.0009298800000000 ] - [ 0.0000002200000000, 0.0000005100000000, -0.0009304400000000 ] - [ -0.0000398800000000, 0.0000013800000000, -0.0003241900000000 ] - [ 0.0000281700000000, -0.0001012000000000, -0.0002576000000000 ] - [ 0.0000328700000000, 0.0000985100000000, -0.0003943000000000 ] - [ -0.0000968800000000, 0.0000124800000000, -0.0002583600000000 ] - [ -0.0000988900000000, -0.0000108200000000, -0.0003908200000000 ] - [ 0.0002034200000000, 0.0000029400000000, -0.0003257700000000 ] - [ 0.0000575400000000, -0.0000561200000000, -0.0002726300000000 ] - [ -0.0001180900000000, -0.0000011100000000, -0.0003245400000000 ] - [ 0.0000551500000000, 0.0000549700000000, -0.0003755400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0302873500000000 ] - [ 0.0000663500000000, -0.0026301700000000, -0.0049721400000000 ] - [ -0.0000663500000000, -0.0026301700000000, -0.0049721400000000 ] - [ 0.0022446200000000, 0.0013725400000000, -0.0049721400000000 ] - [ -0.0022446200000000, 0.0013725400000000, -0.0049721400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021105300000000 ] - [ 0.0023109700000000, 0.0012576300000000, -0.0049721400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021114700000000 ] - [ -0.0023109700000000, 0.0012576300000000, -0.0049721400000000 ] - [ -0.0002028800000000, -0.0001171300000000, 0.0005051200000000 ] - [ 0.0000000000000000, -0.0001431600000000, 0.0003710500000000 ] - [ 0.0002028800000000, -0.0001171300000000, 0.0005051200000000 ] - [ 0.0000000000000000, -0.0000885200000000, 0.0003380500000000 ] - [ -0.0001239800000000, 0.0000715800000000, 0.0003710500000000 ] - [ 0.0001239800000000, 0.0000715800000000, 0.0003710500000000 ] - [ -0.0000766600000000, 0.0000442600000000, 0.0003380500000000 ] - [ 0.0000766600000000, 0.0000442600000000, 0.0003380500000000 ] - [ 0.0000000000000000, 0.0002342700000000, 0.0005051200000000 ] - [ -0.0000161000000000, -0.0000092900000000, -0.0003561100000000 ] - [ 0.0000000000000000, 0.0000478300000000, -0.0003441500000000 ] - [ 0.0000161000000000, -0.0000092900000000, -0.0003561100000000 ] - [ 0.0000000000000000, -0.0000657600000000, -0.0003025100000000 ] - [ 0.0000414200000000, -0.0000239200000000, -0.0003441500000000 ] - [ -0.0000414200000000, -0.0000239200000000, -0.0003441500000000 ] - [ -0.0000569500000000, 0.0000328800000000, -0.0003025100000000 ] - [ 0.0000569500000000, 0.0000328800000000, -0.0003025100000000 ] - [ 0.0000000000000000, 0.0000185900000000, -0.0003561100000000 ] - [ -0.0000067000000000, -0.0000038700000000, -0.0003412000000000 ] - [ 0.0000000000000000, 0.0000310200000000, -0.0003478700000000 ] - [ 0.0000067000000000, -0.0000038700000000, -0.0003412000000000 ] - [ 0.0000000000000000, -0.0000392500000000, -0.0003196700000000 ] - [ 0.0000268600000000, -0.0000155100000000, -0.0003478700000000 ] - [ -0.0000268600000000, -0.0000155100000000, -0.0003478700000000 ] - [ -0.0000339900000000, 0.0000196200000000, -0.0003196700000000 ] - [ 0.0000339900000000, 0.0000196200000000, -0.0003196700000000 ] - [ 0.0000000000000000, 0.0000077300000000, -0.0003412000000000 ] - [ 0.0000030400000000, 0.0000017600000000, -0.0000993100000000 ] - [ 0.0000000000000000, -0.0001637600000000, -0.0002274600000000 ] - [ -0.0000030400000000, 0.0000017600000000, -0.0000993100000000 ] - [ 0.0000000000000000, 0.0001196000000000, -0.0002352600000000 ] - [ -0.0001418200000000, 0.0000818800000000, -0.0002274600000000 ] - [ 0.0001418200000000, 0.0000818800000000, -0.0002274600000000 ] - [ 0.0001035800000000, -0.0000598000000000, -0.0002352600000000 ] - [ -0.0001035800000000, -0.0000598000000000, -0.0002352600000000 ] - [ 0.0000000000000000, -0.0000035100000000, -0.0000993100000000 ] - [ 0.0000000000000000, -0.0000425000000000, -0.0005162500000000 ] - [ -0.0000439400000000, -0.0000253700000000, -0.0005924900000000 ] - [ 0.0000439400000000, -0.0000253700000000, -0.0005924900000000 ] - [ -0.0000371300000000, -0.0000214400000000, -0.0004106900000000 ] - [ 0.0000371300000000, -0.0000214400000000, -0.0004106900000000 ] - [ 0.0000000000000000, 0.0000507400000000, -0.0005924900000000 ] - [ -0.0000368100000000, 0.0000212500000000, -0.0005162500000000 ] - [ 0.0000000000000000, 0.0000428800000000, -0.0004106900000000 ] - [ 0.0000368100000000, 0.0000212500000000, -0.0005162500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004057800000000 ] - [ 0.0000688500000000, 0.0000281900000000, 0.0005664200000000 ] - [ -0.0000688500000000, 0.0000281900000000, 0.0005664200000000 ] - [ -0.0000588400000000, 0.0000455400000000, 0.0005664200000000 ] - [ 0.0000588400000000, 0.0000455400000000, 0.0005664200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007254900000000 ] - [ 0.0000100200000000, -0.0000737200000000, 0.0005664200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005839900000000 ] - [ -0.0000100200000000, -0.0000737200000000, 0.0005664200000000 ] - [ 0.0055402900000000, 0.0031986900000000, 0.0092461300000000 ] - [ 0.0000000000000000, 0.0000780700000000, 0.0018009800000000 ] - [ -0.0055402900000000, 0.0031986900000000, 0.0092461300000000 ] - [ 0.0000000000000000, -0.0001059500000000, 0.0022140200000000 ] - [ 0.0000676100000000, -0.0000390300000000, 0.0018009800000000 ] - [ -0.0000676100000000, -0.0000390300000000, 0.0018009800000000 ] - [ -0.0000917600000000, 0.0000529800000000, 0.0022140200000000 ] - [ 0.0000917600000000, 0.0000529800000000, 0.0022140200000000 ] - [ 0.0000000000000000, -0.0063973800000000, 0.0092461300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005099700000000 ] - [ -0.0000399100000000, 0.0000132400000000, 0.0005116400000000 ] - [ 0.0000399100000000, 0.0000132400000000, 0.0005116400000000 ] - [ 0.0000084900000000, -0.0000411800000000, 0.0005116400000000 ] - [ -0.0000084900000000, -0.0000411800000000, 0.0005116400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003819300000000 ] - [ -0.0000314200000000, 0.0000279500000000, 0.0005116400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005939300000000 ] - [ 0.0000314200000000, 0.0000279500000000, 0.0005116400000000 ] - [ 0.0000000000000000, -0.0060321900000000, 0.0075397100000000 ] - [ 0.0000824700000000, 0.0000476100000000, 0.0006180100000000 ] - [ -0.0000824700000000, 0.0000476100000000, 0.0006180100000000 ] - [ -0.0000602600000000, -0.0000347900000000, 0.0002120600000000 ] - [ 0.0000602600000000, -0.0000347900000000, 0.0002120600000000 ] - [ 0.0000000000000000, -0.0000952300000000, 0.0006180100000000 ] - [ -0.0052240300000000, 0.0030160900000000, 0.0075397100000000 ] - [ 0.0000000000000000, 0.0000695800000000, 0.0002120600000000 ] - [ 0.0052240300000000, 0.0030160900000000, 0.0075397100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008946800000000 ] - [ 0.0000066800000000, 0.0000011200000000, 0.0008862900000000 ] - [ -0.0000066800000000, 0.0000011200000000, 0.0008862900000000 ] - [ -0.0000043100000000, 0.0000052300000000, 0.0008862900000000 ] - [ 0.0000043100000000, 0.0000052300000000, 0.0008862900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008820800000000 ] - [ 0.0000023800000000, -0.0000063500000000, 0.0008862900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008837200000000 ] - [ -0.0000023800000000, -0.0000063500000000, 0.0008862900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011292900000000 ] - [ 0.0000052100000000, 0.0000010700000000, 0.0011233400000000 ] - [ -0.0000052100000000, 0.0000010700000000, 0.0011233400000000 ] - [ -0.0000035300000000, 0.0000039700000000, 0.0011233400000000 ] - [ 0.0000035300000000, 0.0000039700000000, 0.0011233400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011205100000000 ] - [ 0.0000016700000000, -0.0000050400000000, 0.0011233400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011167800000000 ] - [ -0.0000016700000000, -0.0000050400000000, 0.0011233400000000 ] - [ 0.0000000000000000, -0.0000022500000000, -0.0007060600000000 ] - [ -0.0000041800000000, -0.0000024100000000, -0.0007033500000000 ] - [ 0.0000041800000000, -0.0000024100000000, -0.0007033500000000 ] - [ 0.0000044500000000, 0.0000025700000000, -0.0007051300000000 ] - [ -0.0000044500000000, 0.0000025700000000, -0.0007051300000000 ] - [ 0.0000000000000000, 0.0000048300000000, -0.0007033500000000 ] - [ -0.0000019500000000, 0.0000011300000000, -0.0007060600000000 ] - [ 0.0000000000000000, -0.0000051400000000, -0.0007051300000000 ] - [ 0.0000019500000000, 0.0000011300000000, -0.0007060600000000 ] - [ 0.0000000000000000, 0.0000013900000000, -0.0010431700000000 ] - [ -0.0000029100000000, -0.0000016800000000, -0.0010378700000000 ] - [ 0.0000029100000000, -0.0000016800000000, -0.0010378700000000 ] - [ 0.0000029200000000, 0.0000016800000000, -0.0010428700000000 ] - [ -0.0000029200000000, 0.0000016800000000, -0.0010428700000000 ] - [ 0.0000000000000000, 0.0000033600000000, -0.0010378700000000 ] - [ 0.0000012000000000, -0.0000006900000000, -0.0010431700000000 ] - [ 0.0000000000000000, -0.0000033700000000, -0.0010428700000000 ] - [ -0.0000012000000000, -0.0000006900000000, -0.0010431700000000 ] - [ 0.0000000000000000, 0.0000931800000000, -0.0004740200000000 ] - [ 0.0000375900000000, 0.0000217000000000, -0.0004134900000000 ] - [ -0.0000375900000000, 0.0000217000000000, -0.0004134900000000 ] - [ 0.0000404700000000, 0.0000233700000000, -0.0004302400000000 ] - [ -0.0000404700000000, 0.0000233700000000, -0.0004302400000000 ] - [ 0.0000000000000000, -0.0000434100000000, -0.0004134900000000 ] - [ 0.0000807000000000, -0.0000465900000000, -0.0004740200000000 ] - [ 0.0000000000000000, -0.0000467300000000, -0.0004302400000000 ] - [ -0.0000807000000000, -0.0000465900000000, -0.0004740200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0292014600000000 ] - [ 0.0000510100000000, 0.0026307700000000, 0.0039286000000000 ] - [ -0.0000510100000000, 0.0026307700000000, 0.0039286000000000 ] - [ -0.0023038200000000, -0.0012712000000000, 0.0039286000000000 ] - [ 0.0023038200000000, -0.0012712000000000, 0.0039286000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011160300000000 ] - [ -0.0022528000000000, -0.0013595600000000, 0.0039286000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011150900000000 ] - [ 0.0022528000000000, -0.0013595600000000, 0.0039286000000000 ] - [ 0.0001971700000000, 0.0001138400000000, -0.0001526700000000 ] - [ 0.0000000000000000, 0.0002057500000000, -0.0000130400000000 ] - [ -0.0001971700000000, 0.0001138400000000, -0.0001526700000000 ] - [ 0.0000000000000000, 0.0000144100000000, 0.0000105600000000 ] - [ 0.0001781900000000, -0.0001028800000000, -0.0000130400000000 ] - [ -0.0001781900000000, -0.0001028800000000, -0.0000130400000000 ] - [ 0.0000124800000000, -0.0000072000000000, 0.0000105600000000 ] - [ -0.0000124800000000, -0.0000072000000000, 0.0000105600000000 ] - [ 0.0000000000000000, -0.0002276800000000, -0.0001526700000000 ] - [ -0.0000080200000000, -0.0000046300000000, -0.0008066500000000 ] - [ 0.0000000000000000, 0.0000587800000000, -0.0007928000000000 ] - [ 0.0000080200000000, -0.0000046300000000, -0.0008066500000000 ] - [ 0.0000000000000000, -0.0000687200000000, -0.0007463500000000 ] - [ 0.0000509000000000, -0.0000293900000000, -0.0007928000000000 ] - [ -0.0000509000000000, -0.0000293900000000, -0.0007928000000000 ] - [ -0.0000595100000000, 0.0000343600000000, -0.0007463500000000 ] - [ 0.0000595100000000, 0.0000343600000000, -0.0007463500000000 ] - [ 0.0000000000000000, 0.0000092600000000, -0.0008066500000000 ] - [ -0.0000057900000000, -0.0000033500000000, -0.0007887200000000 ] - [ 0.0000000000000000, 0.0000345700000000, -0.0007965200000000 ] - [ 0.0000057900000000, -0.0000033500000000, -0.0007887200000000 ] - [ 0.0000000000000000, -0.0000419400000000, -0.0007668100000000 ] - [ 0.0000299400000000, -0.0000172800000000, -0.0007965200000000 ] - [ -0.0000299400000000, -0.0000172800000000, -0.0007965200000000 ] - [ -0.0000363200000000, 0.0000209700000000, -0.0007668100000000 ] - [ 0.0000363200000000, 0.0000209700000000, -0.0007668100000000 ] - [ 0.0000000000000000, 0.0000066900000000, -0.0007887200000000 ] - [ -0.0000251600000000, -0.0000145300000000, -0.0007551300000000 ] - [ 0.0000000000000000, 0.0003138900000000, -0.0006093700000000 ] - [ 0.0000251600000000, -0.0000145300000000, -0.0007551300000000 ] - [ 0.0000000000000000, -0.0003321600000000, -0.0005605200000000 ] - [ 0.0002718400000000, -0.0001569500000000, -0.0006093700000000 ] - [ -0.0002718400000000, -0.0001569500000000, -0.0006093700000000 ] - [ -0.0002876600000000, 0.0001660800000000, -0.0005605200000000 ] - [ 0.0002876600000000, 0.0001660800000000, -0.0005605200000000 ] - [ 0.0000000000000000, 0.0000290600000000, -0.0007551300000000 ] - [ 0.0000000000000000, 0.0000384500000000, -0.0003275000000000 ] - [ 0.0000266800000000, 0.0000154100000000, -0.0002460900000000 ] - [ -0.0000266800000000, 0.0000154100000000, -0.0002460900000000 ] - [ 0.0000541700000000, 0.0000312700000000, -0.0004324300000000 ] - [ -0.0000541700000000, 0.0000312700000000, -0.0004324300000000 ] - [ 0.0000000000000000, -0.0000308100000000, -0.0002460900000000 ] - [ 0.0000333000000000, -0.0000192300000000, -0.0003275000000000 ] - [ 0.0000000000000000, -0.0000625500000000, -0.0004324300000000 ] - [ -0.0000333000000000, -0.0000192300000000, -0.0003275000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008771400000000 ] - [ -0.0000643300000000, -0.0000282200000000, 0.0007158200000000 ] - [ 0.0000643300000000, -0.0000282200000000, 0.0007158200000000 ] - [ 0.0000566000000000, -0.0000416000000000, 0.0007158200000000 ] - [ -0.0000566000000000, -0.0000416000000000, 0.0007158200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005613300000000 ] - [ -0.0000077300000000, 0.0000698200000000, 0.0007158200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007020900000000 ] - [ 0.0000077300000000, 0.0000698200000000, 0.0007158200000000 ] - [ -0.0053424100000000, -0.0030844400000000, -0.0069106600000000 ] - [ 0.0000000000000000, -0.0000613400000000, 0.0004406500000000 ] - [ 0.0053424100000000, -0.0030844400000000, -0.0069106600000000 ] - [ 0.0000000000000000, 0.0000884300000000, 0.0000171400000000 ] - [ -0.0000531200000000, 0.0000306700000000, 0.0004406500000000 ] - [ 0.0000531200000000, 0.0000306700000000, 0.0004406500000000 ] - [ 0.0000765800000000, -0.0000442200000000, 0.0000171400000000 ] - [ -0.0000765800000000, -0.0000442200000000, 0.0000171400000000 ] - [ 0.0000000000000000, 0.0061688800000000, -0.0069106600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007307500000000 ] - [ 0.0000611100000000, -0.0000144300000000, 0.0007250000000000 ] - [ -0.0000611100000000, -0.0000144300000000, 0.0007250000000000 ] - [ -0.0000180600000000, 0.0000601400000000, 0.0007250000000000 ] - [ 0.0000180600000000, 0.0000601400000000, 0.0007250000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008546500000000 ] - [ 0.0000430500000000, -0.0000457100000000, 0.0007250000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006414000000000 ] - [ -0.0000430500000000, -0.0000457100000000, 0.0007250000000000 ] - [ 0.0000000000000000, 0.0062607400000000, -0.0085663700000000 ] - [ -0.0000963900000000, -0.0000556500000000, -0.0015656900000000 ] - [ 0.0000963900000000, -0.0000556500000000, -0.0015656900000000 ] - [ 0.0000750400000000, 0.0000433300000000, -0.0011492400000000 ] - [ -0.0000750400000000, 0.0000433300000000, -0.0011492400000000 ] - [ 0.0000000000000000, 0.0001113000000000, -0.0015656900000000 ] - [ 0.0054219600000000, -0.0031303700000000, -0.0085663700000000 ] - [ 0.0000000000000000, -0.0000866500000000, -0.0011492400000000 ] - [ -0.0054219600000000, -0.0031303700000000, -0.0085663700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011163700000000 ] - [ 0.0000095200000000, -0.0000013800000000, 0.0011083700000000 ] - [ -0.0000095200000000, -0.0000013800000000, 0.0011083700000000 ] - [ -0.0000035600000000, 0.0000089300000000, 0.0011083700000000 ] - [ 0.0000035600000000, 0.0000089300000000, 0.0011083700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011024200000000 ] - [ 0.0000059600000000, -0.0000075500000000, 0.0011083700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011016900000000 ] - [ -0.0000059600000000, -0.0000075500000000, 0.0011083700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013472700000000 ] - [ 0.0000020500000000, -0.0000013200000000, 0.0013446000000000 ] - [ -0.0000020500000000, -0.0000013200000000, 0.0013446000000000 ] - [ 0.0000001100000000, 0.0000024400000000, 0.0013446000000000 ] - [ -0.0000001100000000, 0.0000024400000000, 0.0013446000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013393900000000 ] - [ 0.0000021700000000, -0.0000011200000000, 0.0013446000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013439000000000 ] - [ -0.0000021700000000, -0.0000011200000000, 0.0013446000000000 ] - [ 0.0000000000000000, 0.0000002400000000, -0.0004833900000000 ] - [ -0.0000090400000000, -0.0000052200000000, -0.0004721100000000 ] - [ 0.0000090400000000, -0.0000052200000000, -0.0004721100000000 ] - [ 0.0000093900000000, 0.0000054200000000, -0.0004812000000000 ] - [ -0.0000093900000000, 0.0000054200000000, -0.0004812000000000 ] - [ 0.0000000000000000, 0.0000104400000000, -0.0004721100000000 ] - [ 0.0000002100000000, -0.0000001200000000, -0.0004833900000000 ] - [ 0.0000000000000000, -0.0000108500000000, -0.0004812000000000 ] - [ -0.0000002100000000, -0.0000001200000000, -0.0004833900000000 ] - [ 0.0000000000000000, 0.0000003100000000, -0.0008182200000000 ] - [ -0.0000027300000000, -0.0000015800000000, -0.0008105600000000 ] - [ 0.0000027300000000, -0.0000015800000000, -0.0008105600000000 ] - [ 0.0000023600000000, 0.0000013600000000, -0.0008160200000000 ] - [ -0.0000023600000000, 0.0000013600000000, -0.0008160200000000 ] - [ 0.0000000000000000, 0.0000031500000000, -0.0008105600000000 ] - [ 0.0000002700000000, -0.0000001600000000, -0.0008182200000000 ] - [ 0.0000000000000000, -0.0000027200000000, -0.0008160200000000 ] - [ -0.0000002700000000, -0.0000001600000000, -0.0008182200000000 ] - [ 0.0000000000000000, -0.0000912800000000, -0.0001728200000000 ] - [ -0.0000424800000000, -0.0000245200000000, -0.0002376800000000 ] - [ 0.0000424800000000, -0.0000245200000000, -0.0002376800000000 ] - [ -0.0000381900000000, -0.0000220500000000, -0.0002181800000000 ] - [ 0.0000381900000000, -0.0000220500000000, -0.0002181800000000 ] - [ 0.0000000000000000, 0.0000490500000000, -0.0002376800000000 ] - [ -0.0000790500000000, 0.0000456400000000, -0.0001728200000000 ] - [ 0.0000000000000000, 0.0000441000000000, -0.0002181800000000 ] - [ 0.0000790500000000, 0.0000456400000000, -0.0001728200000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002177400000000, 0.0000821600000000, -0.0007877500000000 ] - [ -0.0001567300000000, -0.0000813200000000, -0.0003208000000000 ] - [ 0.0004203600000000, 0.0000003300000000, -0.0005209700000000 ] - [ 0.0001446000000000, -0.0000266700000000, -0.0005656200000000 ] - [ -0.0003288300000000, 0.0000524200000000, -0.0005214200000000 ] - [ 0.0001750900000000, 0.0000787500000000, -0.0004519100000000 ] - [ 0.0000685500000000, -0.0000525500000000, -0.0005208700000000 ] - [ -0.0000226200000000, -0.0002907300000000, -0.0003463700000000 ] - [ -0.0000533200000000, 0.0002385600000000, -0.0006725100000000 ] - [ -0.0346161400000000, -0.0000143500000000, 0.0001766300000000 ] - [ 0.0061884400000000, 0.0000306900000000, 0.0001798200000000 ] - [ 0.0061517000000000, -0.0000016800000000, 0.0001766900000000 ] - [ -0.0005330200000000, -0.0039038700000000, -0.0020974900000000 ] - [ -0.0005121600000000, 0.0038604200000000, 0.0024587500000000 ] - [ 0.0014057500000000, -0.0000151000000000, 0.0001778300000000 ] - [ -0.0005711700000000, -0.0038559600000000, -0.0021045800000000 ] - [ 0.0014652100000000, 0.0000180100000000, 0.0001759600000000 ] - [ -0.0005335800000000, 0.0038703800000000, 0.0024487000000000 ] - [ -0.0000119100000000, -0.0000066100000000, -0.0005811100000000 ] - [ 0.0000008300000000, 0.0000509100000000, -0.0005690900000000 ] - [ 0.0000126300000000, -0.0000042400000000, -0.0005806300000000 ] - [ -0.0000012500000000, -0.0000657500000000, -0.0005235600000000 ] - [ 0.0000447000000000, -0.0000279100000000, -0.0005691100000000 ] - [ -0.0000436600000000, -0.0000267000000000, -0.0005683800000000 ] - [ -0.0000549300000000, 0.0000325100000000, -0.0005241800000000 ] - [ 0.0000514100000000, 0.0000337600000000, -0.0005243300000000 ] - [ 0.0000028800000000, 0.0000152600000000, -0.0005812700000000 ] - [ -0.0002747400000000, -0.0000035000000000, -0.0005651000000000 ] - [ 0.0001341200000000, -0.0000985400000000, -0.0007439500000000 ] - [ 0.0001403800000000, 0.0001281200000000, -0.0003928300000000 ] - [ -0.0002392600000000, -0.0001242600000000, -0.0005238800000000 ] - [ -0.0002103300000000, 0.0000677800000000, -0.0005919100000000 ] - [ 0.0005383700000000, -0.0000159000000000, -0.0005719200000000 ] - [ -0.0000464200000000, -0.0001953200000000, -0.0006955200000000 ] - [ 0.0000606400000000, 0.0000204000000000, -0.0005431700000000 ] - [ -0.0000111100000000, 0.0002224800000000, -0.0004124600000000 ] - [ -0.0000179500000000, -0.0000061400000000, -0.0004267000000000 ] - [ 0.0000044900000000, 0.0000727800000000, -0.0004163700000000 ] - [ 0.0000156700000000, -0.0000046400000000, -0.0004282000000000 ] - [ -0.0000023000000000, -0.0001105300000000, -0.0004008400000000 ] - [ 0.0000616500000000, -0.0000329800000000, -0.0004148200000000 ] - [ -0.0000599200000000, -0.0000373200000000, -0.0004178100000000 ] - [ -0.0000929900000000, 0.0000503100000000, -0.0003994300000000 ] - [ 0.0000941300000000, 0.0000533300000000, -0.0003978500000000 ] - [ -0.0000014000000000, 0.0000163900000000, -0.0004252600000000 ] - [ 0.0000012200000000, -0.0000017700000000, -0.0004160200000000 ] - [ -0.0000075300000000, -0.0000044600000000, -0.0004228800000000 ] - [ 0.0000056800000000, -0.0000048200000000, -0.0004187700000000 ] - [ 0.0000049000000000, 0.0000048000000000, -0.0004171000000000 ] - [ -0.0000037000000000, 0.0000050200000000, -0.0004203100000000 ] - [ -0.0000034700000000, 0.0000105300000000, -0.0004219800000000 ] - [ -0.0000008200000000, 0.0000010300000000, -0.0004201300000000 ] - [ -0.0000004900000000, -0.0000065000000000, -0.0004177400000000 ] - [ 0.0000009400000000, -0.0000019600000000, -0.0004226900000000 ] - [ 0.0062883700000000, 0.0029522900000000, -0.0072776700000000 ] - [ 0.0065379700000000, -0.0031433800000000, 0.0088370300000000 ] - [ -0.0012343700000000, 0.0000000700000000, 0.0006405500000000 ] - [ -0.0008769900000000, 0.0007553100000000, 0.0010239600000000 ] - [ 0.0011351400000000, -0.0000255800000000, 0.0006169700000000 ] - [ -0.0008775300000000, -0.0007572200000000, 0.0002588800000000 ] - [ 0.0004326300000000, -0.0000019700000000, 0.0006426600000000 ] - [ -0.0002159200000000, 0.0005885200000000, 0.0007158300000000 ] - [ -0.0002155200000000, -0.0005877100000000, 0.0005668600000000 ] - [ 0.0000518800000000, -0.0000005600000000, 0.0011215400000000 ] - [ -0.0000202900000000, -0.0000407400000000, 0.0010490400000000 ] - [ -0.0000191100000000, 0.0000488000000000, 0.0011931000000000 ] - [ -0.0000044100000000, 0.0000541300000000, 0.0012005900000000 ] - [ 0.0000029100000000, -0.0000662100000000, 0.0010353300000000 ] - [ -0.0000028700000000, -0.0000039100000000, 0.0011203900000000 ] - [ 0.0000769200000000, 0.0000118100000000, 0.0011290200000000 ] - [ -0.0001993300000000, 0.0000045500000000, 0.0011157300000000 ] - [ 0.0000843700000000, -0.0000056100000000, 0.0011078200000000 ] - [ -0.0000001000000000, -0.0000012800000000, 0.0006207800000000 ] - [ 0.0000105600000000, 0.0000007700000000, 0.0006173500000000 ] - [ -0.0000084500000000, -0.0000004200000000, 0.0006178800000000 ] - [ -0.0000059300000000, 0.0000085100000000, 0.0006180400000000 ] - [ 0.0000070100000000, 0.0000093700000000, 0.0006178900000000 ] - [ -0.0000008800000000, 0.0000008100000000, 0.0006171900000000 ] - [ 0.0000032700000000, -0.0000091000000000, 0.0006178700000000 ] - [ 0.0000019500000000, -0.0000001900000000, 0.0006161000000000 ] - [ -0.0000036800000000, -0.0000089400000000, 0.0006190100000000 ] - [ 0.0000535000000000, 0.0000222300000000, -0.0003842500000000 ] - [ 0.0000469300000000, -0.0000284000000000, -0.0005551900000000 ] - [ -0.0000891200000000, -0.0000038200000000, -0.0004729800000000 ] - [ 0.0000232700000000, 0.0000686900000000, -0.0004392600000000 ] - [ -0.0000510200000000, 0.0000044000000000, -0.0004668100000000 ] - [ 0.0000161100000000, -0.0000569700000000, -0.0005012100000000 ] - [ 0.0000940600000000, 0.0000010100000000, -0.0004669900000000 ] - [ -0.0001386800000000, 0.0000462300000000, -0.0007592900000000 ] - [ -0.0001367800000000, -0.0000538700000000, -0.0001744500000000 ] - [ 0.0000014000000000, -0.0000014200000000, 0.0010072800000000 ] - [ 0.0000095200000000, 0.0000011800000000, 0.0009946300000000 ] - [ -0.0000103400000000, -0.0000001500000000, 0.0009967700000000 ] - [ -0.0000054000000000, 0.0000067100000000, 0.0009968500000000 ] - [ 0.0000077200000000, 0.0000070000000000, 0.0009967800000000 ] - [ -0.0000014100000000, 0.0000002200000000, 0.0009915900000000 ] - [ 0.0000022300000000, -0.0000070000000000, 0.0009967700000000 ] - [ 0.0000007400000000, 0.0000016700000000, 0.0009866000000000 ] - [ -0.0000034100000000, -0.0000087100000000, 0.0010023400000000 ] - [ 0.0000538100000000, -0.0000641800000000, 0.0011491400000000 ] - [ 0.0000575600000000, 0.0000646500000000, 0.0013225200000000 ] - [ -0.0001147200000000, -0.0000002100000000, 0.0012333000000000 ] - [ -0.0002133200000000, 0.0001190400000000, 0.0009377700000000 ] - [ 0.0001672700000000, 0.0000028900000000, 0.0012341500000000 ] - [ -0.0002120000000000, -0.0001161500000000, 0.0015250900000000 ] - [ -0.0000089700000000, -0.0000034400000000, 0.0012326500000000 ] - [ 0.0000034800000000, 0.0000660900000000, 0.0012509700000000 ] - [ 0.0000014200000000, -0.0000692000000000, 0.0012120100000000 ] - [ 0.0000006100000000, -0.0000007400000000, -0.0005930800000000 ] - [ -0.0000060300000000, -0.0000036700000000, -0.0005872700000000 ] - [ 0.0000062400000000, -0.0000036000000000, -0.0005866800000000 ] - [ 0.0000070200000000, 0.0000044600000000, -0.0005918800000000 ] - [ -0.0000067400000000, 0.0000041800000000, -0.0005921000000000 ] - [ 0.0000000900000000, 0.0000075600000000, -0.0005868700000000 ] - [ -0.0000001700000000, 0.0000007300000000, -0.0005936700000000 ] - [ -0.0000009500000000, -0.0000071500000000, -0.0005938800000000 ] - [ -0.0000000500000000, 0.0000000800000000, -0.0005918900000000 ] - [ 0.0000560300000000, 0.0000445100000000, -0.0009622100000000 ] - [ 0.0000529200000000, -0.0000446800000000, -0.0008899800000000 ] - [ -0.0001356100000000, -0.0000015500000000, -0.0009229300000000 ] - [ 0.0000445100000000, 0.0001056900000000, -0.0010086900000000 ] - [ -0.0000599400000000, 0.0000016100000000, -0.0009280000000000 ] - [ 0.0000413700000000, -0.0001004900000000, -0.0008426800000000 ] - [ 0.0001317200000000, -0.0000001000000000, -0.0009294000000000 ] - [ -0.0000641600000000, 0.0000010600000000, -0.0008935000000000 ] - [ -0.0000649200000000, -0.0000042400000000, -0.0009639600000000 ] - [ 0.0062691400000000, -0.0029404400000000, 0.0075796600000000 ] - [ 0.0065138600000000, 0.0031313200000000, -0.0085048500000000 ] - [ -0.0012288100000000, -0.0000014700000000, -0.0003240700000000 ] - [ -0.0002121800000000, 0.0005867400000000, -0.0002525200000000 ] - [ 0.0004257800000000, 0.0000008400000000, -0.0003248800000000 ] - [ -0.0002149000000000, -0.0005856300000000, -0.0003942200000000 ] - [ 0.0011341500000000, 0.0000270200000000, -0.0002988100000000 ] - [ -0.0008779000000000, 0.0007537100000000, 0.0000670500000000 ] - [ -0.0008774100000000, -0.0007513600000000, -0.0007120300000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000445400000000, -0.0000257100000000, -0.0002141000000000 ] - [ 0.0000445400000000, -0.0000257100000000, -0.0002141000000000 ] - [ 0.0000000000000000, 0.0002384800000000, -0.0003211000000000 ] - [ -0.0002261600000000, 0.0001305700000000, -0.0003485800000000 ] - [ 0.0000000000000000, 0.0000514200000000, -0.0002141000000000 ] - [ 0.0002261600000000, 0.0001305700000000, -0.0003485800000000 ] - [ 0.0000000000000000, -0.0002611500000000, -0.0003485800000000 ] - [ -0.0002065300000000, -0.0001192400000000, -0.0003211000000000 ] - [ 0.0002065300000000, -0.0001192400000000, -0.0003211000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0295848100000000 ] - [ -0.0000137800000000, 0.0026434900000000, -0.0042733600000000 ] - [ 0.0000137800000000, 0.0026434900000000, -0.0042733600000000 ] - [ -0.0022824400000000, -0.0013336800000000, -0.0042733600000000 ] - [ 0.0022824400000000, -0.0013336800000000, -0.0042733600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014307700000000 ] - [ -0.0022962200000000, -0.0013098100000000, -0.0042733600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014352800000000 ] - [ 0.0022962200000000, -0.0013098100000000, -0.0042733600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003535200000000 ] - [ -0.0000240300000000, 0.0000261200000000, -0.0003326600000000 ] - [ 0.0000240300000000, 0.0000261200000000, -0.0003326600000000 ] - [ -0.0000106100000000, -0.0000338800000000, -0.0003326600000000 ] - [ 0.0000106100000000, -0.0000338800000000, -0.0003326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003425100000000 ] - [ -0.0000346400000000, 0.0000077500000000, -0.0003326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002984700000000 ] - [ 0.0000346400000000, 0.0000077500000000, -0.0003326600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002823400000000 ] - [ -0.0001853200000000, 0.0000935800000000, -0.0003333900000000 ] - [ 0.0001853200000000, 0.0000935800000000, -0.0003333900000000 ] - [ 0.0000116200000000, -0.0002072800000000, -0.0003333900000000 ] - [ -0.0000116200000000, -0.0002072800000000, -0.0003333900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001827100000000 ] - [ -0.0001737000000000, 0.0001137000000000, -0.0003333900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004893300000000 ] - [ 0.0001737000000000, 0.0001137000000000, -0.0003333900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002067700000000 ] - [ -0.0000319400000000, 0.0000447800000000, -0.0001898800000000 ] - [ 0.0000319400000000, 0.0000447800000000, -0.0001898800000000 ] - [ -0.0000228100000000, -0.0000500500000000, -0.0001898800000000 ] - [ 0.0000228100000000, -0.0000500500000000, -0.0001898800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001965800000000 ] - [ -0.0000547500000000, 0.0000052700000000, -0.0001898800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001693900000000 ] - [ 0.0000547500000000, 0.0000052700000000, -0.0001898800000000 ] - [ 0.0000037000000000, -0.0000021300000000, -0.0005295300000000 ] - [ -0.0000037000000000, -0.0000021300000000, -0.0005295300000000 ] - [ 0.0000000000000000, -0.0000083900000000, -0.0005297600000000 ] - [ 0.0000072600000000, 0.0000041900000000, -0.0005297600000000 ] - [ 0.0000000000000000, 0.0000047300000000, -0.0005342700000000 ] - [ -0.0000072600000000, 0.0000041900000000, -0.0005297600000000 ] - [ 0.0000000000000000, 0.0000042700000000, -0.0005295300000000 ] - [ 0.0000041000000000, -0.0000023700000000, -0.0005342700000000 ] - [ -0.0000041000000000, -0.0000023700000000, -0.0005342700000000 ] - [ -0.0055294900000000, -0.0031924600000000, 0.0087583100000000 ] - [ 0.0055294900000000, -0.0031924600000000, 0.0087583100000000 ] - [ 0.0000000000000000, -0.0000692000000000, 0.0013194900000000 ] - [ 0.0000792700000000, -0.0000457700000000, 0.0017425500000000 ] - [ 0.0000000000000000, 0.0063849100000000, 0.0087583100000000 ] - [ -0.0000792700000000, -0.0000457700000000, 0.0017425500000000 ] - [ 0.0000000000000000, 0.0000915400000000, 0.0017425500000000 ] - [ 0.0000599300000000, 0.0000346000000000, 0.0013194900000000 ] - [ -0.0000599300000000, 0.0000346000000000, 0.0013194900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010100500000000 ] - [ -0.0000536000000000, -0.0000099300000000, 0.0010112100000000 ] - [ 0.0000536000000000, -0.0000099300000000, 0.0010112100000000 ] - [ 0.0000354000000000, -0.0000414500000000, 0.0010112100000000 ] - [ -0.0000354000000000, -0.0000414500000000, 0.0010112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010955500000000 ] - [ -0.0000182000000000, 0.0000513800000000, 0.0010112100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008785500000000 ] - [ 0.0000182000000000, 0.0000513800000000, 0.0010112100000000 ] - [ -0.0000070300000000, -0.0000040600000000, 0.0005052500000000 ] - [ 0.0000070300000000, -0.0000040600000000, 0.0005052500000000 ] - [ 0.0000000000000000, -0.0000017300000000, 0.0005056300000000 ] - [ -0.0000054700000000, 0.0000031600000000, 0.0005056500000000 ] - [ 0.0000000000000000, 0.0000081200000000, 0.0005052500000000 ] - [ 0.0000054700000000, 0.0000031600000000, 0.0005056500000000 ] - [ 0.0000000000000000, -0.0000063100000000, 0.0005056500000000 ] - [ 0.0000015000000000, 0.0000008600000000, 0.0005056300000000 ] - [ -0.0000015000000000, 0.0000008600000000, 0.0005056300000000 ] - [ 0.0000382200000000, -0.0000220700000000, -0.0005626900000000 ] - [ -0.0000382200000000, -0.0000220700000000, -0.0005626900000000 ] - [ 0.0000000000000000, -0.0000577200000000, -0.0004592100000000 ] - [ 0.0000499900000000, 0.0000288600000000, -0.0004592100000000 ] - [ 0.0000000000000000, -0.0000378500000000, -0.0006380500000000 ] - [ -0.0000499900000000, 0.0000288600000000, -0.0004592100000000 ] - [ 0.0000000000000000, 0.0000441300000000, -0.0005626900000000 ] - [ -0.0000327800000000, 0.0000189300000000, -0.0006380500000000 ] - [ 0.0000327800000000, 0.0000189300000000, -0.0006380500000000 ] - [ -0.0000057600000000, -0.0000033200000000, 0.0008872000000000 ] - [ 0.0000057600000000, -0.0000033200000000, 0.0008872000000000 ] - [ 0.0000000000000000, -0.0000013800000000, 0.0008809100000000 ] - [ -0.0000046000000000, 0.0000026600000000, 0.0008840900000000 ] - [ 0.0000000000000000, 0.0000066500000000, 0.0008872000000000 ] - [ 0.0000046000000000, 0.0000026600000000, 0.0008840900000000 ] - [ 0.0000000000000000, -0.0000053100000000, 0.0008840900000000 ] - [ 0.0000012000000000, 0.0000006900000000, 0.0008809100000000 ] - [ -0.0000012000000000, 0.0000006900000000, 0.0008809100000000 ] - [ -0.0000545500000000, -0.0000314900000000, 0.0011251800000000 ] - [ 0.0000545500000000, -0.0000314900000000, 0.0011251800000000 ] - [ 0.0000000000000000, -0.0000610100000000, 0.0012471700000000 ] - [ -0.0000576700000000, 0.0000332900000000, 0.0010672300000000 ] - [ 0.0000000000000000, 0.0000629900000000, 0.0011251800000000 ] - [ 0.0000576700000000, 0.0000332900000000, 0.0010672300000000 ] - [ 0.0000000000000000, -0.0000665900000000, 0.0010672300000000 ] - [ 0.0000528300000000, 0.0000305000000000, 0.0012471700000000 ] - [ -0.0000528300000000, 0.0000305000000000, 0.0012471700000000 ] - [ 0.0000031900000000, -0.0000018400000000, -0.0007021500000000 ] - [ -0.0000031900000000, -0.0000018400000000, -0.0007021500000000 ] - [ 0.0000000000000000, -0.0000059900000000, -0.0006997700000000 ] - [ 0.0000051900000000, 0.0000030000000000, -0.0006997700000000 ] - [ 0.0000000000000000, 0.0000017800000000, -0.0007048600000000 ] - [ -0.0000051900000000, 0.0000030000000000, -0.0006997700000000 ] - [ 0.0000000000000000, 0.0000036800000000, -0.0007021500000000 ] - [ 0.0000015400000000, -0.0000008900000000, -0.0007048600000000 ] - [ -0.0000015400000000, -0.0000008900000000, -0.0007048600000000 ] - [ 0.0000109400000000, -0.0000063200000000, -0.0010646300000000 ] - [ -0.0000109400000000, -0.0000063200000000, -0.0010646300000000 ] - [ 0.0000000000000000, -0.0001038100000000, -0.0010458100000000 ] - [ 0.0000899000000000, 0.0000519000000000, -0.0010458100000000 ] - [ 0.0000000000000000, 0.0000678100000000, -0.0010094800000000 ] - [ -0.0000899000000000, 0.0000519000000000, -0.0010458100000000 ] - [ 0.0000000000000000, 0.0000126300000000, -0.0010646300000000 ] - [ 0.0000587200000000, -0.0000339000000000, -0.0010094800000000 ] - [ -0.0000587200000000, -0.0000339000000000, -0.0010094800000000 ] - [ 0.0053156100000000, -0.0030689700000000, 0.0077021600000000 ] - [ -0.0053156100000000, -0.0030689700000000, 0.0077021600000000 ] - [ 0.0000000000000000, -0.0000718300000000, 0.0003514200000000 ] - [ 0.0000622100000000, 0.0000359200000000, 0.0003514200000000 ] - [ 0.0000000000000000, 0.0000936500000000, 0.0007807100000000 ] - [ -0.0000622100000000, 0.0000359200000000, 0.0003514200000000 ] - [ 0.0000000000000000, 0.0061379400000000, 0.0077021600000000 ] - [ 0.0000811000000000, -0.0000468200000000, 0.0007807100000000 ] - [ -0.0000811000000000, -0.0000468200000000, 0.0007807100000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000164700000000, -0.0000095100000000, -0.0008727300000000 ] - [ 0.0000164700000000, -0.0000095100000000, -0.0008727300000000 ] - [ 0.0000000000000000, -0.0002391600000000, -0.0007059400000000 ] - [ 0.0001649000000000, -0.0000952100000000, -0.0006767100000000 ] - [ 0.0000000000000000, 0.0000190200000000, -0.0008727300000000 ] - [ -0.0001649000000000, -0.0000952100000000, -0.0006767100000000 ] - [ 0.0000000000000000, 0.0001904200000000, -0.0006767100000000 ] - [ 0.0002071200000000, 0.0001195800000000, -0.0007059400000000 ] - [ -0.0002071200000000, 0.0001195800000000, -0.0007059400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0299682000000000 ] - [ -0.0000131600000000, -0.0026117400000000, 0.0046271100000000 ] - [ 0.0000131600000000, -0.0026117400000000, 0.0046271100000000 ] - [ 0.0022684100000000, 0.0012944700000000, 0.0046271100000000 ] - [ -0.0022684100000000, 0.0012944700000000, 0.0046271100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017889200000000 ] - [ 0.0022552500000000, 0.0013172700000000, 0.0046271100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017844100000000 ] - [ -0.0022552500000000, 0.0013172700000000, 0.0046271100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008060200000000 ] - [ -0.0000226700000000, 0.0000270500000000, -0.0007836200000000 ] - [ 0.0000226700000000, 0.0000270500000000, -0.0007836200000000 ] - [ -0.0000120900000000, -0.0000331600000000, -0.0007836200000000 ] - [ 0.0000120900000000, -0.0000331600000000, -0.0007836200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007945600000000 ] - [ -0.0000347600000000, 0.0000061100000000, -0.0007836200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007505100000000 ] - [ 0.0000347600000000, 0.0000061100000000, -0.0007836200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008505200000000 ] - [ 0.0001584800000000, -0.0000597000000000, -0.0007870300000000 ] - [ -0.0001584800000000, -0.0000597000000000, -0.0007870300000000 ] - [ -0.0000275400000000, 0.0001670900000000, -0.0007870300000000 ] - [ 0.0000275400000000, 0.0001670900000000, -0.0007870300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009604800000000 ] - [ 0.0001309400000000, -0.0001074000000000, -0.0007870300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005970000000000 ] - [ -0.0001309400000000, -0.0001074000000000, -0.0007870300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006441500000000 ] - [ -0.0000370500000000, 0.0000356200000000, -0.0006387000000000 ] - [ 0.0000370500000000, 0.0000356200000000, -0.0006387000000000 ] - [ -0.0000123200000000, -0.0000499000000000, -0.0006387000000000 ] - [ 0.0000123200000000, -0.0000499000000000, -0.0006387000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006393000000000 ] - [ -0.0000493700000000, 0.0000142800000000, -0.0006387000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006265700000000 ] - [ 0.0000493700000000, 0.0000142800000000, -0.0006387000000000 ] - [ 0.0000030800000000, -0.0000017800000000, -0.0003090100000000 ] - [ -0.0000030800000000, -0.0000017800000000, -0.0003090100000000 ] - [ 0.0000000000000000, -0.0000047800000000, -0.0003080100000000 ] - [ 0.0000041400000000, 0.0000023900000000, -0.0003080100000000 ] - [ 0.0000000000000000, 0.0000005900000000, -0.0003054300000000 ] - [ -0.0000041400000000, 0.0000023900000000, -0.0003080100000000 ] - [ 0.0000000000000000, 0.0000035600000000, -0.0003090100000000 ] - [ 0.0000005100000000, -0.0000003000000000, -0.0003054300000000 ] - [ -0.0000005100000000, -0.0000003000000000, -0.0003054300000000 ] - [ 0.0053264100000000, 0.0030752100000000, -0.0073865100000000 ] - [ -0.0053264100000000, 0.0030752100000000, -0.0073865100000000 ] - [ 0.0000000000000000, 0.0000688300000000, -0.0000382300000000 ] - [ -0.0000805500000000, 0.0000465100000000, -0.0004616800000000 ] - [ 0.0000000000000000, -0.0061504100000000, -0.0073865100000000 ] - [ 0.0000805500000000, 0.0000465100000000, -0.0004616800000000 ] - [ 0.0000000000000000, -0.0000930100000000, -0.0004616800000000 ] - [ -0.0000596000000000, -0.0000344100000000, -0.0000382300000000 ] - [ 0.0000596000000000, -0.0000344100000000, -0.0000382300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012315300000000 ] - [ 0.0000477400000000, 0.0000180600000000, 0.0012256800000000 ] - [ -0.0000477400000000, 0.0000180600000000, 0.0012256800000000 ] - [ -0.0000395100000000, 0.0000323100000000, 0.0012256800000000 ] - [ 0.0000395100000000, 0.0000323100000000, 0.0012256800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011439400000000 ] - [ 0.0000082300000000, -0.0000503700000000, 0.0012256800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013519600000000 ] - [ -0.0000082300000000, -0.0000503700000000, 0.0012256800000000 ] - [ -0.0000038400000000, -0.0000022200000000, 0.0007309000000000 ] - [ 0.0000038400000000, -0.0000022200000000, 0.0007309000000000 ] - [ 0.0000000000000000, 0.0000012400000000, 0.0007284600000000 ] - [ -0.0000050000000000, 0.0000028900000000, 0.0007285100000000 ] - [ 0.0000000000000000, 0.0000044300000000, 0.0007309000000000 ] - [ 0.0000050000000000, 0.0000028900000000, 0.0007285100000000 ] - [ 0.0000000000000000, -0.0000057700000000, 0.0007285100000000 ] - [ -0.0000010700000000, -0.0000006200000000, 0.0007284600000000 ] - [ 0.0000010700000000, -0.0000006200000000, 0.0007284600000000 ] - [ -0.0000320700000000, 0.0000185100000000, -0.0003744600000000 ] - [ 0.0000320700000000, 0.0000185100000000, -0.0003744600000000 ] - [ 0.0000000000000000, 0.0000472200000000, -0.0004823900000000 ] - [ -0.0000409000000000, -0.0000236100000000, -0.0004823900000000 ] - [ 0.0000000000000000, 0.0000426000000000, -0.0002938600000000 ] - [ 0.0000409000000000, -0.0000236100000000, -0.0004823900000000 ] - [ 0.0000000000000000, -0.0000370300000000, -0.0003744600000000 ] - [ 0.0000369000000000, -0.0000213000000000, -0.0002938600000000 ] - [ -0.0000369000000000, -0.0000213000000000, -0.0002938600000000 ] - [ -0.0000023600000000, -0.0000013600000000, 0.0011107400000000 ] - [ 0.0000023600000000, -0.0000013600000000, 0.0011107400000000 ] - [ 0.0000000000000000, 0.0000012200000000, 0.0011083600000000 ] - [ -0.0000034200000000, 0.0000019800000000, 0.0011048100000000 ] - [ 0.0000000000000000, 0.0000027300000000, 0.0011107400000000 ] - [ 0.0000034200000000, 0.0000019800000000, 0.0011048100000000 ] - [ 0.0000000000000000, -0.0000039500000000, 0.0011048100000000 ] - [ -0.0000010500000000, -0.0000006100000000, 0.0011083600000000 ] - [ 0.0000010500000000, -0.0000006100000000, 0.0011083600000000 ] - [ 0.0000509700000000, 0.0000294300000000, 0.0013445300000000 ] - [ -0.0000509700000000, 0.0000294300000000, 0.0013445300000000 ] - [ 0.0000000000000000, 0.0000606300000000, 0.0012157100000000 ] - [ 0.0000537100000000, -0.0000310100000000, 0.0013939600000000 ] - [ 0.0000000000000000, -0.0000588500000000, 0.0013445300000000 ] - [ -0.0000537100000000, -0.0000310100000000, 0.0013939600000000 ] - [ 0.0000000000000000, 0.0000620100000000, 0.0013939600000000 ] - [ -0.0000525100000000, -0.0000303100000000, 0.0012157100000000 ] - [ 0.0000525100000000, -0.0000303100000000, 0.0012157100000000 ] - [ 0.0000018300000000, -0.0000010600000000, -0.0004797600000000 ] - [ -0.0000018300000000, -0.0000010600000000, -0.0004797600000000 ] - [ 0.0000000000000000, -0.0000044200000000, -0.0004764100000000 ] - [ 0.0000038300000000, 0.0000022100000000, -0.0004764100000000 ] - [ 0.0000000000000000, 0.0000028400000000, -0.0004796000000000 ] - [ -0.0000038300000000, 0.0000022100000000, -0.0004764100000000 ] - [ 0.0000000000000000, 0.0000021200000000, -0.0004797600000000 ] - [ 0.0000024600000000, -0.0000014200000000, -0.0004796000000000 ] - [ -0.0000024600000000, -0.0000014200000000, -0.0004796000000000 ] - [ -0.0000092600000000, 0.0000053400000000, -0.0007890800000000 ] - [ 0.0000092600000000, 0.0000053400000000, -0.0007890800000000 ] - [ 0.0000000000000000, 0.0000990700000000, -0.0008032900000000 ] - [ -0.0000858000000000, -0.0000495400000000, -0.0008032900000000 ] - [ 0.0000000000000000, -0.0000654700000000, -0.0008466300000000 ] - [ 0.0000858000000000, -0.0000495400000000, -0.0008032900000000 ] - [ 0.0000000000000000, -0.0000106900000000, -0.0007890800000000 ] - [ -0.0000567000000000, 0.0000327300000000, -0.0008466300000000 ] - [ 0.0000567000000000, 0.0000327300000000, -0.0008466300000000 ] - [ -0.0055153800000000, 0.0031843100000000, -0.0084398400000000 ] - [ 0.0055153800000000, 0.0031843100000000, -0.0084398400000000 ] - [ 0.0000000000000000, 0.0000692500000000, -0.0009982300000000 ] - [ -0.0000599800000000, -0.0000346300000000, -0.0009982300000000 ] - [ 0.0000000000000000, -0.0000929700000000, -0.0014250000000000 ] - [ 0.0000599800000000, -0.0000346300000000, -0.0009982300000000 ] - [ 0.0000000000000000, -0.0063686200000000, -0.0084398400000000 ] - [ -0.0000805100000000, 0.0000464800000000, -0.0014250000000000 ] - [ 0.0000805100000000, 0.0000464800000000, -0.0014250000000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000000600000000, 0.0000048000000000, -0.0005919100000000 ] - [ 0.0000602200000000, -0.0000046600000000, -0.0005170100000000 ] - [ -0.0000608700000000, 0.0000004100000000, -0.0005211400000000 ] - [ -0.0000272000000000, 0.0000534800000000, -0.0005198300000000 ] - [ 0.0000218800000000, 0.0000519700000000, -0.0005211400000000 ] - [ 0.0000040600000000, -0.0000017800000000, -0.0004981200000000 ] - [ 0.0000363000000000, -0.0000525300000000, -0.0005212900000000 ] - [ -0.0000035100000000, -0.0000014100000000, -0.0004925200000000 ] - [ -0.0000330800000000, -0.0000505200000000, -0.0005259100000000 ] - [ -0.0000037900000000, -0.0000018500000000, 0.0001771100000000 ] - [ 0.0000007700000000, 0.0000341200000000, 0.0001799500000000 ] - [ 0.0000042800000000, -0.0000046500000000, 0.0001762300000000 ] - [ 0.0000031200000000, -0.0000383500000000, 0.0001745800000000 ] - [ 0.0000300700000000, -0.0000143700000000, 0.0001791600000000 ] - [ -0.0000341500000000, -0.0000158400000000, 0.0001792600000000 ] - [ -0.0000334200000000, 0.0000200200000000, 0.0001754200000000 ] - [ 0.0000347100000000, 0.0000186700000000, 0.0001744900000000 ] - [ -0.0000017500000000, 0.0000031200000000, 0.0001763100000000 ] - [ -0.0345977400000000, -0.0000127000000000, -0.0005795400000000 ] - [ 0.0061871100000000, 0.0000537900000000, -0.0005688400000000 ] - [ 0.0061586500000000, -0.0000077600000000, -0.0005806100000000 ] - [ -0.0005323200000000, -0.0039315100000000, -0.0027963200000000 ] - [ -0.0004924900000000, 0.0038469700000000, 0.0017110800000000 ] - [ 0.0013844600000000, -0.0000260500000000, -0.0005698800000000 ] - [ -0.0005965100000000, -0.0038410900000000, -0.0028044300000000 ] - [ 0.0014888800000000, 0.0000330000000000, -0.0005229100000000 ] - [ -0.0005328300000000, 0.0038799700000000, 0.0016913100000000 ] - [ -0.0002737900000000, -0.0000029100000000, -0.0005646600000000 ] - [ 0.0001340100000000, 0.0001646000000000, -0.0004003300000000 ] - [ 0.0001402600000000, -0.0001350400000000, -0.0007367400000000 ] - [ -0.0000106700000000, -0.0002557200000000, -0.0006955600000000 ] - [ 0.0000166900000000, 0.0001994100000000, -0.0004198300000000 ] - [ -0.0000032400000000, -0.0000165800000000, -0.0005721000000000 ] - [ -0.0002735800000000, -0.0000636400000000, -0.0005234300000000 ] - [ 0.0006020300000000, 0.0000197200000000, -0.0005433400000000 ] - [ -0.0002398700000000, 0.0000909700000000, -0.0005841400000000 ] - [ -0.0002803700000000, -0.0000065200000000, -0.0004270500000000 ] - [ 0.0001341600000000, -0.0000571200000000, -0.0005896300000000 ] - [ 0.0001456100000000, 0.0001251600000000, -0.0002548300000000 ] - [ -0.0002396600000000, -0.0001903000000000, -0.0003784700000000 ] - [ -0.0001747900000000, 0.0000470200000000, -0.0004377800000000 ] - [ 0.0005031700000000, -0.0000367600000000, -0.0004175900000000 ] - [ -0.0001036200000000, -0.0001627200000000, -0.0005499900000000 ] - [ 0.0001177900000000, 0.0000533200000000, -0.0003978900000000 ] - [ -0.0000113400000000, 0.0002287700000000, -0.0002745200000000 ] - [ 0.0000552800000000, 0.0000424400000000, -0.0004525000000000 ] - [ 0.0000462600000000, -0.0000485900000000, -0.0003864700000000 ] - [ -0.0001280700000000, -0.0000050100000000, -0.0004188800000000 ] - [ 0.0000511500000000, 0.0001085500000000, -0.0005011200000000 ] - [ -0.0000668800000000, 0.0000048600000000, -0.0004202700000000 ] - [ 0.0000423000000000, -0.0000933000000000, -0.0003384800000000 ] - [ 0.0001296000000000, 0.0000011100000000, -0.0004202600000000 ] - [ -0.0000643000000000, -0.0000062100000000, -0.0003860800000000 ] - [ -0.0000629100000000, -0.0000024100000000, -0.0004544800000000 ] - [ 0.0000008800000000, -0.0000002100000000, 0.0006394200000000 ] - [ 0.0000031200000000, -0.0000001400000000, 0.0006413900000000 ] - [ -0.0000021600000000, -0.0000002200000000, 0.0006407600000000 ] - [ -0.0000016000000000, 0.0000025200000000, 0.0006390100000000 ] - [ 0.0000020800000000, 0.0000019100000000, 0.0006407400000000 ] - [ -0.0000005700000000, -0.0000007100000000, 0.0006443100000000 ] - [ 0.0000017100000000, -0.0000019600000000, 0.0006407300000000 ] - [ 0.0000004700000000, 0.0000001400000000, 0.0006426100000000 ] - [ -0.0000007600000000, -0.0000021800000000, 0.0006405100000000 ] - [ -0.0000012600000000, -0.0000005100000000, 0.0011216000000000 ] - [ -0.0000019200000000, 0.0000080400000000, 0.0011187400000000 ] - [ -0.0000006200000000, -0.0000000800000000, 0.0011232900000000 ] - [ 0.0000002600000000, -0.0000083900000000, 0.0011108000000000 ] - [ 0.0000073800000000, -0.0000036000000000, 0.0011249800000000 ] - [ -0.0000108700000000, -0.0000039500000000, 0.0011203900000000 ] - [ -0.0000078800000000, 0.0000066200000000, 0.0011091500000000 ] - [ 0.0000050200000000, 0.0000043300000000, 0.0011154200000000 ] - [ -0.0000007300000000, -0.0000005700000000, 0.0011278700000000 ] - [ 0.0000540700000000, -0.0000645900000000, 0.0005313400000000 ] - [ 0.0000648700000000, 0.0000647300000000, 0.0007076800000000 ] - [ -0.0001225600000000, -0.0000004900000000, 0.0006180900000000 ] - [ -0.0002178700000000, 0.0001260700000000, 0.0003214900000000 ] - [ 0.0001714800000000, 0.0000090800000000, 0.0006189400000000 ] - [ -0.0002132300000000, -0.0001170500000000, 0.0009144600000000 ] - [ -0.0000049800000000, -0.0000094600000000, 0.0006174100000000 ] - [ 0.0000032600000000, 0.0000663700000000, 0.0006385300000000 ] - [ -0.0000025500000000, -0.0000755500000000, 0.0005969000000000 ] - [ 0.0000005600000000, -0.0000043600000000, -0.0004670600000000 ] - [ -0.0000060500000000, -0.0000013900000000, -0.0004718700000000 ] - [ 0.0000072800000000, -0.0000039000000000, -0.0004729200000000 ] - [ 0.0000064700000000, 0.0000032400000000, -0.0004692200000000 ] - [ -0.0000042600000000, 0.0000041500000000, -0.0004674600000000 ] - [ -0.0000009200000000, 0.0000084200000000, -0.0004711800000000 ] - [ -0.0000053100000000, 0.0000007700000000, -0.0004660000000000 ] - [ 0.0000019400000000, -0.0000079600000000, -0.0004695200000000 ] - [ 0.0000034500000000, 0.0000000900000000, -0.0004639100000000 ] - [ 0.0062829900000000, 0.0029511000000000, -0.0069163200000000 ] - [ 0.0065385300000000, -0.0031422400000000, 0.0091967700000000 ] - [ -0.0012388300000000, 0.0000000700000000, 0.0009965200000000 ] - [ -0.0008802400000000, 0.0007583300000000, 0.0013843800000000 ] - [ 0.0011347300000000, -0.0000205700000000, 0.0009729800000000 ] - [ -0.0008778400000000, -0.0007552700000000, 0.0006034600000000 ] - [ 0.0004317800000000, -0.0000071100000000, 0.0009986400000000 ] - [ -0.0002149600000000, 0.0005882500000000, 0.0010616800000000 ] - [ -0.0002174300000000, -0.0005926000000000, 0.0009267000000000 ] - [ 0.0000563800000000, -0.0000435100000000, 0.0012705400000000 ] - [ 0.0000597600000000, 0.0000429900000000, 0.0012002600000000 ] - [ -0.0001418200000000, -0.0000000900000000, 0.0012331800000000 ] - [ -0.0000655400000000, 0.0000071500000000, 0.0012677300000000 ] - [ 0.0001329900000000, 0.0000029900000000, 0.0012332100000000 ] - [ -0.0000637600000000, -0.0000040600000000, 0.0011945300000000 ] - [ -0.0000549300000000, -0.0000030600000000, 0.0012330400000000 ] - [ 0.0000416600000000, 0.0001038900000000, 0.0011494100000000 ] - [ 0.0000402300000000, -0.0001071500000000, 0.0013137200000000 ] - [ 0.0062705600000000, -0.0029444600000000, 0.0073130200000000 ] - [ 0.0065111500000000, 0.0031305800000000, -0.0087717100000000 ] - [ -0.0012239800000000, -0.0000039000000000, -0.0005864200000000 ] - [ -0.0002066600000000, 0.0005894700000000, -0.0005222400000000 ] - [ 0.0004199000000000, 0.0000041900000000, -0.0005939400000000 ] - [ -0.0002152400000000, -0.0005802900000000, -0.0006559000000000 ] - [ 0.0011306600000000, 0.0000281600000000, -0.0005698800000000 ] - [ -0.0008783200000000, 0.0007471300000000, -0.0002027600000000 ] - [ -0.0008758400000000, -0.0007504900000000, -0.0009823900000000 ] - [ 0.0000534000000000, 0.0000654300000000, -0.0008401100000000 ] - [ 0.0000506600000000, -0.0000665900000000, -0.0010129900000000 ] - [ -0.0001089200000000, -0.0000014200000000, -0.0009230700000000 ] - [ 0.0000055300000000, 0.0000678800000000, -0.0009068100000000 ] - [ -0.0000141800000000, 0.0000019900000000, -0.0009276300000000 ] - [ 0.0000030200000000, -0.0000628200000000, -0.0009444600000000 ] - [ 0.0001663700000000, 0.0000000000000000, -0.0009303700000000 ] - [ -0.0002129900000000, 0.0001133700000000, -0.0012251900000000 ] - [ -0.0002133000000000, -0.0001163600000000, -0.0006329300000000 ] - [ 0.0000009300000000, 0.0000028500000000, -0.0003246900000000 ] - [ -0.0000015600000000, -0.0000026200000000, -0.0003221100000000 ] - [ -0.0000003900000000, -0.0000012500000000, -0.0003242600000000 ] - [ 0.0000012100000000, 0.0000025200000000, -0.0003284900000000 ] - [ -0.0000034400000000, 0.0000007500000000, -0.0003229600000000 ] - [ 0.0000001800000000, 0.0000012600000000, -0.0003186900000000 ] - [ 0.0000044300000000, -0.0000004800000000, -0.0003225300000000 ] - [ -0.0000019900000000, -0.0000012900000000, -0.0003228100000000 ] - [ -0.0000031100000000, -0.0000002500000000, -0.0003226600000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000282600000000, -0.0000163200000000, -0.0003188000000000 ] - [ 0.0000282600000000, -0.0000163200000000, -0.0003188000000000 ] - [ 0.0000000000000000, 0.0000008400000000, -0.0002896600000000 ] - [ -0.0000283300000000, 0.0000163600000000, -0.0002917900000000 ] - [ 0.0000000000000000, 0.0000326300000000, -0.0003188000000000 ] - [ 0.0000283300000000, 0.0000163600000000, -0.0002917900000000 ] - [ 0.0000000000000000, -0.0000327200000000, -0.0002917900000000 ] - [ -0.0000007200000000, -0.0000004200000000, -0.0002896600000000 ] - [ 0.0000007200000000, -0.0000004200000000, -0.0002896600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004036300000000 ] - [ -0.0000111800000000, 0.0000153700000000, 0.0004015900000000 ] - [ 0.0000111800000000, 0.0000153700000000, 0.0004015900000000 ] - [ -0.0000077200000000, -0.0000173700000000, 0.0004015900000000 ] - [ 0.0000077200000000, -0.0000173700000000, 0.0004015900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004044900000000 ] - [ -0.0000189000000000, 0.0000019900000000, 0.0004015900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003996600000000 ] - [ 0.0000189000000000, 0.0000019900000000, 0.0004015900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0302318900000000 ] - [ -0.0000242400000000, 0.0026546800000000, -0.0050093600000000 ] - [ 0.0000242400000000, 0.0026546800000000, -0.0050093600000000 ] - [ -0.0022869000000000, -0.0013483400000000, -0.0050093600000000 ] - [ 0.0022869000000000, -0.0013483400000000, -0.0050093600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021787500000000 ] - [ -0.0023111400000000, -0.0013063400000000, -0.0050093600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021344300000000 ] - [ 0.0023111400000000, -0.0013063400000000, -0.0050093600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002976500000000 ] - [ 0.0001584700000000, 0.0000924500000000, -0.0003341500000000 ] - [ -0.0001584700000000, 0.0000924500000000, -0.0003341500000000 ] - [ -0.0001593000000000, 0.0000910200000000, -0.0003341500000000 ] - [ 0.0001593000000000, 0.0000910200000000, -0.0003341500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005193500000000 ] - [ -0.0000008300000000, -0.0001834600000000, -0.0003341500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001558800000000 ] - [ 0.0000008300000000, -0.0001834600000000, -0.0003341500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001517600000000 ] - [ -0.0002062100000000, 0.0001174900000000, -0.0001893100000000 ] - [ 0.0002062100000000, 0.0001174900000000, -0.0001893100000000 ] - [ 0.0000013600000000, -0.0002373200000000, -0.0001893100000000 ] - [ -0.0000013600000000, -0.0002373200000000, -0.0001893100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000302500000000 ] - [ -0.0002048500000000, 0.0001198400000000, -0.0001893100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003459000000000 ] - [ 0.0002048500000000, 0.0001198400000000, -0.0001893100000000 ] - [ 0.0000142600000000, -0.0000082300000000, -0.0005579600000000 ] - [ -0.0000142600000000, -0.0000082300000000, -0.0005579600000000 ] - [ 0.0000000000000000, -0.0001086600000000, -0.0005411700000000 ] - [ 0.0000941100000000, 0.0000543300000000, -0.0005411700000000 ] - [ 0.0000000000000000, 0.0000686600000000, -0.0005020500000000 ] - [ -0.0000941100000000, 0.0000543300000000, -0.0005411700000000 ] - [ 0.0000000000000000, 0.0000164700000000, -0.0005579600000000 ] - [ 0.0000594600000000, -0.0000343300000000, -0.0005020500000000 ] - [ -0.0000594600000000, -0.0000343300000000, -0.0005020500000000 ] - [ -0.0000018200000000, -0.0000010500000000, 0.0005295900000000 ] - [ 0.0000018200000000, -0.0000010500000000, 0.0005295900000000 ] - [ 0.0000000000000000, -0.0000008100000000, 0.0005298200000000 ] - [ -0.0000015400000000, 0.0000008900000000, 0.0005289400000000 ] - [ 0.0000000000000000, 0.0000021000000000, 0.0005295900000000 ] - [ 0.0000015400000000, 0.0000008900000000, 0.0005289400000000 ] - [ 0.0000000000000000, -0.0000017700000000, 0.0005289400000000 ] - [ 0.0000007100000000, 0.0000004100000000, 0.0005298200000000 ] - [ -0.0000007100000000, 0.0000004100000000, 0.0005298200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010066000000000 ] - [ -0.0000024900000000, 0.0000027000000000, 0.0010063500000000 ] - [ 0.0000024900000000, 0.0000027000000000, 0.0010063500000000 ] - [ -0.0000011000000000, -0.0000035000000000, 0.0010063500000000 ] - [ 0.0000011000000000, -0.0000035000000000, 0.0010063500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010127900000000 ] - [ -0.0000035800000000, 0.0000008000000000, 0.0010063500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010025200000000 ] - [ 0.0000035800000000, 0.0000008000000000, 0.0010063500000000 ] - [ -0.0000584600000000, -0.0000337500000000, 0.0005081600000000 ] - [ 0.0000584600000000, -0.0000337500000000, 0.0005081600000000 ] - [ 0.0000000000000000, -0.0000615800000000, 0.0006325900000000 ] - [ -0.0000613700000000, 0.0000354300000000, 0.0004524600000000 ] - [ 0.0000000000000000, 0.0000675000000000, 0.0005081600000000 ] - [ 0.0000613700000000, 0.0000354300000000, 0.0004524600000000 ] - [ 0.0000000000000000, -0.0000708700000000, 0.0004524600000000 ] - [ 0.0000533300000000, 0.0000307900000000, 0.0006325900000000 ] - [ -0.0000533300000000, 0.0000307900000000, 0.0006325900000000 ] - [ 0.0000012900000000, -0.0000007500000000, -0.0005816300000000 ] - [ -0.0000012900000000, -0.0000007500000000, -0.0005816300000000 ] - [ 0.0000000000000000, -0.0000041100000000, -0.0005828400000000 ] - [ 0.0000035600000000, 0.0000020600000000, -0.0005828400000000 ] - [ 0.0000000000000000, 0.0000026500000000, -0.0005801900000000 ] - [ -0.0000035600000000, 0.0000020600000000, -0.0005828400000000 ] - [ 0.0000000000000000, 0.0000014900000000, -0.0005816300000000 ] - [ 0.0000022900000000, -0.0000013200000000, -0.0005801900000000 ] - [ -0.0000022900000000, -0.0000013200000000, -0.0005801900000000 ] - [ -0.0055316100000000, -0.0031936800000000, 0.0091225300000000 ] - [ 0.0055316100000000, -0.0031936800000000, 0.0091225300000000 ] - [ 0.0000000000000000, -0.0000693800000000, 0.0016671100000000 ] - [ 0.0000769300000000, -0.0000444100000000, 0.0020955600000000 ] - [ 0.0000000000000000, 0.0063873500000000, 0.0091225300000000 ] - [ -0.0000769300000000, -0.0000444100000000, 0.0020955600000000 ] - [ 0.0000000000000000, 0.0000888300000000, 0.0020955600000000 ] - [ 0.0000600800000000, 0.0000346900000000, 0.0016671100000000 ] - [ -0.0000600800000000, 0.0000346900000000, 0.0016671100000000 ] - [ -0.0000119000000000, -0.0000068700000000, 0.0010957300000000 ] - [ 0.0000119000000000, -0.0000068700000000, 0.0010957300000000 ] - [ 0.0000000000000000, -0.0001012200000000, 0.0011099300000000 ] - [ 0.0000560500000000, -0.0000323600000000, 0.0011491200000000 ] - [ 0.0000000000000000, 0.0000137400000000, 0.0010957300000000 ] - [ -0.0000560500000000, -0.0000323600000000, 0.0011491200000000 ] - [ 0.0000000000000000, 0.0000647200000000, 0.0011491200000000 ] - [ 0.0000876600000000, 0.0000506100000000, 0.0011099300000000 ] - [ -0.0000876600000000, 0.0000506100000000, 0.0011099300000000 ] - [ 0.0053201200000000, -0.0030715700000000, 0.0074339000000000 ] - [ -0.0053201200000000, -0.0030715700000000, 0.0074339000000000 ] - [ 0.0000000000000000, -0.0000743400000000, 0.0000843300000000 ] - [ 0.0000643800000000, 0.0000371700000000, 0.0000843300000000 ] - [ 0.0000000000000000, 0.0000946100000000, 0.0005099400000000 ] - [ -0.0000643800000000, 0.0000371700000000, 0.0000843300000000 ] - [ 0.0000000000000000, 0.0061431400000000, 0.0074339000000000 ] - [ 0.0000819400000000, -0.0000473100000000, 0.0005099400000000 ] - [ -0.0000819400000000, -0.0000473100000000, 0.0005099400000000 ] - [ 0.0000539100000000, -0.0000311200000000, -0.0010388200000000 ] - [ -0.0000539100000000, -0.0000311200000000, -0.0010388200000000 ] - [ 0.0000000000000000, -0.0000629200000000, -0.0009091300000000 ] - [ 0.0000544900000000, 0.0000314600000000, -0.0009091300000000 ] - [ 0.0000000000000000, -0.0000628900000000, -0.0010920600000000 ] - [ -0.0000544900000000, 0.0000314600000000, -0.0009091300000000 ] - [ 0.0000000000000000, 0.0000622400000000, -0.0010388200000000 ] - [ -0.0000544600000000, 0.0000314400000000, -0.0010920600000000 ] - [ 0.0000544600000000, 0.0000314400000000, -0.0010920600000000 ] - [ 0.0000021400000000, -0.0000012300000000, -0.0004357900000000 ] - [ -0.0000021400000000, -0.0000012300000000, -0.0004357900000000 ] - [ 0.0000000000000000, -0.0000026300000000, -0.0004385200000000 ] - [ 0.0000022700000000, 0.0000013100000000, -0.0004385200000000 ] - [ 0.0000000000000000, 0.0000001400000000, -0.0004341000000000 ] - [ -0.0000022700000000, 0.0000013100000000, -0.0004385200000000 ] - [ 0.0000000000000000, 0.0000024700000000, -0.0004357900000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0004341000000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0004341000000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000318500000000, -0.0000183900000000, -0.0007683400000000 ] - [ 0.0000318500000000, -0.0000183900000000, -0.0007683400000000 ] - [ 0.0000000000000000, -0.0000002800000000, -0.0007371800000000 ] - [ -0.0000322100000000, 0.0000186000000000, -0.0007344600000000 ] - [ 0.0000000000000000, 0.0000367800000000, -0.0007683400000000 ] - [ 0.0000322100000000, 0.0000186000000000, -0.0007344600000000 ] - [ 0.0000000000000000, -0.0000372000000000, -0.0007344600000000 ] - [ 0.0000002400000000, 0.0000001400000000, -0.0007371800000000 ] - [ -0.0000002400000000, 0.0000001400000000, -0.0007371800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000479700000000 ] - [ -0.0000126700000000, 0.0000163100000000, -0.0000484700000000 ] - [ 0.0000126700000000, 0.0000163100000000, -0.0000484700000000 ] - [ -0.0000077900000000, -0.0000191300000000, -0.0000484700000000 ] - [ 0.0000077900000000, -0.0000191300000000, -0.0000484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000466800000000 ] - [ -0.0000204600000000, 0.0000028200000000, -0.0000484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000514500000000 ] - [ 0.0000204600000000, 0.0000028200000000, -0.0000484700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0291778500000000 ] - [ -0.0000255600000000, -0.0026015900000000, 0.0038923300000000 ] - [ 0.0000255600000000, -0.0026015900000000, 0.0038923300000000 ] - [ 0.0022658200000000, 0.0012786600000000, 0.0038923300000000 ] - [ -0.0022658200000000, 0.0012786600000000, 0.0038923300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010406600000000 ] - [ 0.0022402700000000, 0.0013229300000000, 0.0038923300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010849700000000 ] - [ -0.0022402700000000, 0.0013229300000000, 0.0038923300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008290500000000 ] - [ -0.0001853100000000, -0.0000607500000000, -0.0007866300000000 ] - [ 0.0001853100000000, -0.0000607500000000, -0.0007866300000000 ] - [ 0.0001452600000000, -0.0001301100000000, -0.0007866300000000 ] - [ -0.0001452600000000, -0.0001301100000000, -0.0007866300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006258500000000 ] - [ -0.0000400500000000, 0.0001908500000000, -0.0007866300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009324600000000 ] - [ 0.0000400500000000, 0.0001908500000000, -0.0007866300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007071500000000 ] - [ 0.0001379000000000, -0.0000360000000000, -0.0006398200000000 ] - [ -0.0001379000000000, -0.0000360000000000, -0.0006398200000000 ] - [ -0.0000377700000000, 0.0001374300000000, -0.0006398200000000 ] - [ 0.0000377700000000, 0.0001374300000000, -0.0006398200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008048300000000 ] - [ 0.0001001300000000, -0.0001014200000000, -0.0006398200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004503600000000 ] - [ -0.0001001300000000, -0.0001014200000000, -0.0006398200000000 ] - [ -0.0000072200000000, 0.0000041700000000, -0.0002812800000000 ] - [ 0.0000072200000000, 0.0000041700000000, -0.0002812800000000 ] - [ 0.0000000000000000, 0.0000949900000000, -0.0002978200000000 ] - [ -0.0000822700000000, -0.0000475000000000, -0.0002978200000000 ] - [ 0.0000000000000000, -0.0000636000000000, -0.0003380900000000 ] - [ 0.0000822700000000, -0.0000475000000000, -0.0002978200000000 ] - [ 0.0000000000000000, -0.0000083400000000, -0.0002812800000000 ] - [ -0.0000550800000000, 0.0000318000000000, -0.0003380900000000 ] - [ 0.0000550800000000, 0.0000318000000000, -0.0003380900000000 ] - [ -0.0000004600000000, -0.0000002600000000, 0.0007499100000000 ] - [ 0.0000004600000000, -0.0000002600000000, 0.0007499100000000 ] - [ 0.0000000000000000, 0.0000006300000000, 0.0007511800000000 ] - [ -0.0000006100000000, 0.0000003500000000, 0.0007521800000000 ] - [ 0.0000000000000000, 0.0000005300000000, 0.0007499100000000 ] - [ 0.0000006100000000, 0.0000003500000000, 0.0007521800000000 ] - [ 0.0000000000000000, -0.0000007000000000, 0.0007521800000000 ] - [ -0.0000005400000000, -0.0000003100000000, 0.0007511800000000 ] - [ 0.0000005400000000, -0.0000003100000000, 0.0007511800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012345100000000 ] - [ -0.0000031800000000, 0.0000050500000000, 0.0012302400000000 ] - [ 0.0000031800000000, 0.0000050500000000, 0.0012302400000000 ] - [ -0.0000027900000000, -0.0000052800000000, 0.0012302400000000 ] - [ 0.0000027900000000, -0.0000052800000000, 0.0012302400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012263100000000 ] - [ -0.0000059600000000, 0.0000002200000000, 0.0012302400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012267000000000 ] - [ 0.0000059600000000, 0.0000002200000000, 0.0012302400000000 ] - [ 0.0000476800000000, 0.0000275300000000, 0.0007290400000000 ] - [ -0.0000476800000000, 0.0000275300000000, 0.0007290400000000 ] - [ 0.0000000000000000, 0.0000608800000000, 0.0006011900000000 ] - [ 0.0000505100000000, -0.0000291600000000, 0.0007800500000000 ] - [ 0.0000000000000000, -0.0000550600000000, 0.0007290400000000 ] - [ -0.0000505100000000, -0.0000291600000000, 0.0007800500000000 ] - [ 0.0000000000000000, 0.0000583200000000, 0.0007800500000000 ] - [ -0.0000527300000000, -0.0000304400000000, 0.0006011900000000 ] - [ 0.0000527300000000, -0.0000304400000000, 0.0006011900000000 ] - [ 0.0000041400000000, -0.0000023900000000, -0.0003550500000000 ] - [ -0.0000041400000000, -0.0000023900000000, -0.0003550500000000 ] - [ 0.0000000000000000, -0.0000066500000000, -0.0003593900000000 ] - [ 0.0000057500000000, 0.0000033200000000, -0.0003593900000000 ] - [ 0.0000000000000000, 0.0000018800000000, -0.0003537600000000 ] - [ -0.0000057500000000, 0.0000033200000000, -0.0003593900000000 ] - [ 0.0000000000000000, 0.0000047800000000, -0.0003550500000000 ] - [ 0.0000016300000000, -0.0000009400000000, -0.0003537600000000 ] - [ -0.0000016300000000, -0.0000009400000000, -0.0003537600000000 ] - [ 0.0053228200000000, 0.0030731300000000, -0.0070332500000000 ] - [ -0.0053228200000000, 0.0030731300000000, -0.0070332500000000 ] - [ 0.0000000000000000, 0.0000691200000000, 0.0003215800000000 ] - [ -0.0000841200000000, 0.0000485700000000, -0.0001077000000000 ] - [ 0.0000000000000000, -0.0061462600000000, -0.0070332500000000 ] - [ 0.0000841200000000, 0.0000485700000000, -0.0001077000000000 ] - [ 0.0000000000000000, -0.0000971300000000, -0.0001077000000000 ] - [ -0.0000598600000000, -0.0000345600000000, 0.0003215800000000 ] - [ 0.0000598600000000, -0.0000345600000000, 0.0003215800000000 ] - [ 0.0000084300000000, 0.0000048700000000, 0.0013718800000000 ] - [ -0.0000084300000000, 0.0000048700000000, 0.0013718800000000 ] - [ 0.0000000000000000, 0.0001015500000000, 0.0013528400000000 ] - [ -0.0000593800000000, 0.0000342800000000, 0.0013125200000000 ] - [ 0.0000000000000000, -0.0000097400000000, 0.0013718800000000 ] - [ 0.0000593800000000, 0.0000342800000000, 0.0013125200000000 ] - [ 0.0000000000000000, -0.0000685600000000, 0.0013125200000000 ] - [ -0.0000879400000000, -0.0000507700000000, 0.0013528400000000 ] - [ 0.0000879400000000, -0.0000507700000000, 0.0013528400000000 ] - [ -0.0055159100000000, 0.0031846100000000, -0.0087085400000000 ] - [ 0.0055159100000000, 0.0031846100000000, -0.0087085400000000 ] - [ 0.0000000000000000, 0.0000641100000000, -0.0012610200000000 ] - [ -0.0000555200000000, -0.0000320600000000, -0.0012610200000000 ] - [ 0.0000000000000000, -0.0000909900000000, -0.0016943600000000 ] - [ 0.0000555200000000, -0.0000320600000000, -0.0012610200000000 ] - [ 0.0000000000000000, -0.0063692200000000, -0.0087085400000000 ] - [ -0.0000788000000000, 0.0000455000000000, -0.0016943600000000 ] - [ 0.0000788000000000, 0.0000455000000000, -0.0016943600000000 ] - [ -0.0000523800000000, 0.0000302400000000, -0.0008171700000000 ] - [ 0.0000523800000000, 0.0000302400000000, -0.0008171700000000 ] - [ 0.0000000000000000, 0.0000589000000000, -0.0009403100000000 ] - [ -0.0000510100000000, -0.0000294500000000, -0.0009403100000000 ] - [ 0.0000000000000000, 0.0000659600000000, -0.0007638200000000 ] - [ 0.0000510100000000, -0.0000294500000000, -0.0009403100000000 ] - [ 0.0000000000000000, -0.0000604800000000, -0.0008171700000000 ] - [ 0.0000571200000000, -0.0000329800000000, -0.0007638200000000 ] - [ -0.0000571200000000, -0.0000329800000000, -0.0007638200000000 ] - [ -0.0000012300000000, 0.0000007100000000, -0.0002104800000000 ] - [ 0.0000012300000000, 0.0000007100000000, -0.0002104800000000 ] - [ 0.0000000000000000, -0.0000000500000000, -0.0002091900000000 ] - [ 0.0000000500000000, 0.0000000300000000, -0.0002091900000000 ] - [ 0.0000000000000000, 0.0000015000000000, -0.0002115700000000 ] - [ -0.0000000500000000, 0.0000000300000000, -0.0002091900000000 ] - [ 0.0000000000000000, -0.0000014200000000, -0.0002104800000000 ] - [ 0.0000013000000000, -0.0000007500000000, -0.0002115700000000 ] - [ -0.0000013000000000, -0.0000007500000000, -0.0002115700000000 ]- atom: 28 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000018900000000, -0.0000000200000000, -0.0005883100000000 ] - [ 0.0000584100000000, 0.0000002100000000, -0.0005205300000000 ] - [ -0.0000572300000000, 0.0000004200000000, -0.0005210900000000 ] - [ -0.0000303400000000, 0.0000495600000000, -0.0005198900000000 ] - [ 0.0000284400000000, 0.0000519900000000, -0.0005211100000000 ] - [ 0.0000009200000000, 0.0000021600000000, -0.0004974200000000 ] - [ 0.0000263500000000, -0.0000525300000000, -0.0005207100000000 ] - [ 0.0000015700000000, -0.0000005700000000, -0.0004957000000000 ] - [ -0.0000280400000000, -0.0000513300000000, -0.0005226500000000 ] - [ -0.0002723100000000, -0.0000014900000000, 0.0001772700000000 ] - [ 0.0001341300000000, 0.0001631400000000, 0.0003511600000000 ] - [ 0.0001378900000000, -0.0001336200000000, 0.0000050100000000 ] - [ -0.0000106900000000, -0.0002523000000000, 0.0000221000000000 ] - [ 0.0000156000000000, 0.0002001600000000, 0.0003315500000000 ] - [ -0.0000018900000000, -0.0000158600000000, 0.0001793700000000 ] - [ -0.0002705600000000, -0.0000653400000000, 0.0001945500000000 ] - [ 0.0005991100000000, 0.0000180900000000, 0.0001743300000000 ] - [ -0.0002397800000000, 0.0000882000000000, 0.0001578700000000 ] - [ -0.0002794900000000, -0.0000070400000000, -0.0005813000000000 ] - [ 0.0001340600000000, -0.0000781300000000, -0.0007401500000000 ] - [ 0.0001461200000000, 0.0001247200000000, -0.0004094100000000 ] - [ -0.0002393500000000, -0.0001508400000000, -0.0005050600000000 ] - [ -0.0001925100000000, 0.0000574500000000, -0.0005881600000000 ] - [ 0.0005206200000000, -0.0000261200000000, -0.0005681500000000 ] - [ -0.0000695000000000, -0.0001819900000000, -0.0006764300000000 ] - [ 0.0000835800000000, 0.0000337600000000, -0.0005243700000000 ] - [ -0.0000110300000000, 0.0002291600000000, -0.0004287900000000 ] - [ -0.0346167000000000, -0.0000111600000000, -0.0005713500000000 ] - [ 0.0061878900000000, 0.0000332000000000, -0.0005722400000000 ] - [ 0.0061536300000000, -0.0000042100000000, -0.0005642500000000 ] - [ -0.0005322900000000, -0.0039055900000000, -0.0028154800000000 ] - [ -0.0005103700000000, 0.0038579600000000, 0.0017078700000000 ] - [ 0.0014024900000000, -0.0000158300000000, -0.0005735600000000 ] - [ -0.0005735200000000, -0.0038546900000000, -0.0028235700000000 ] - [ 0.0014662600000000, 0.0000196300000000, -0.0005416100000000 ] - [ -0.0005330100000000, 0.0038735400000000, 0.0017078700000000 ] - [ -0.0000110000000000, -0.0000061800000000, -0.0004267700000000 ] - [ 0.0000008600000000, 0.0000719100000000, -0.0004185200000000 ] - [ 0.0000120300000000, -0.0000038200000000, -0.0004259300000000 ] - [ -0.0000012500000000, -0.0001050800000000, -0.0003970100000000 ] - [ 0.0000627400000000, -0.0000384700000000, -0.0004185400000000 ] - [ -0.0000617600000000, -0.0000373400000000, -0.0004177400000000 ] - [ -0.0000888100000000, 0.0000520300000000, -0.0003978100000000 ] - [ 0.0000853400000000, 0.0000533000000000, -0.0003977600000000 ] - [ 0.0000028000000000, 0.0000145900000000, -0.0004267600000000 ] - [ 0.0000005600000000, -0.0000013800000000, -0.0004195100000000 ] - [ -0.0000082200000000, -0.0000049300000000, -0.0004194400000000 ] - [ 0.0000084000000000, -0.0000048600000000, -0.0004188000000000 ] - [ 0.0000084700000000, 0.0000052600000000, -0.0004199700000000 ] - [ -0.0000082400000000, 0.0000049900000000, -0.0004203400000000 ] - [ 0.0000000900000000, 0.0000100100000000, -0.0004191500000000 ] - [ -0.0000007500000000, 0.0000010000000000, -0.0004201600000000 ] - [ -0.0000009500000000, -0.0000088800000000, -0.0004220100000000 ] - [ 0.0000004700000000, 0.0000003800000000, -0.0004184700000000 ] - [ 0.0000565700000000, -0.0000434000000000, 0.0006730900000000 ] - [ 0.0000585700000000, 0.0000428900000000, 0.0006078200000000 ] - [ -0.0001409800000000, -0.0000000800000000, 0.0006408700000000 ] - [ -0.0000647200000000, 0.0000061500000000, 0.0006755200000000 ] - [ 0.0001323100000000, 0.0000018000000000, 0.0006408700000000 ] - [ -0.0000636500000000, -0.0000042400000000, 0.0006079700000000 ] - [ -0.0000551800000000, -0.0000018300000000, 0.0006407000000000 ] - [ 0.0000414500000000, 0.0001041000000000, 0.0005622600000000 ] - [ 0.0000406900000000, -0.0001061200000000, 0.0007214200000000 ] - [ -0.0000023700000000, -0.0000005200000000, 0.0011216700000000 ] - [ -0.0000006900000000, 0.0000077500000000, 0.0011204600000000 ] - [ 0.0000005700000000, 0.0000002500000000, 0.0011216800000000 ] - [ -0.0000019400000000, -0.0000080000000000, 0.0011158800000000 ] - [ 0.0000052100000000, -0.0000039400000000, 0.0011200200000000 ] - [ -0.0000033900000000, -0.0000039300000000, 0.0011204600000000 ] - [ -0.0000077800000000, 0.0000036500000000, 0.0011159100000000 ] - [ 0.0000081600000000, 0.0000043500000000, 0.0011154800000000 ] - [ -0.0000006500000000, 0.0000024100000000, 0.0011212500000000 ] - [ 0.0000013900000000, -0.0000014700000000, 0.0006225000000000 ] - [ 0.0000120800000000, 0.0000009000000000, 0.0006158200000000 ] - [ -0.0000129300000000, -0.0000004500000000, 0.0006179900000000 ] - [ -0.0000064900000000, 0.0000090400000000, 0.0006181000000000 ] - [ 0.0000087900000000, 0.0000093500000000, 0.0006179800000000 ] - [ -0.0000014400000000, 0.0000002200000000, 0.0006173400000000 ] - [ 0.0000036900000000, -0.0000091300000000, 0.0006179600000000 ] - [ 0.0000007300000000, 0.0000016500000000, 0.0006117700000000 ] - [ -0.0000049500000000, -0.0000108500000000, 0.0006235300000000 ] - [ 0.0000005200000000, -0.0000005600000000, -0.0004682900000000 ] - [ -0.0000060700000000, -0.0000051400000000, -0.0004705100000000 ] - [ 0.0000063300000000, -0.0000038700000000, -0.0004728700000000 ] - [ 0.0000077100000000, 0.0000045200000000, -0.0004732900000000 ] - [ -0.0000087500000000, 0.0000041600000000, -0.0004674000000000 ] - [ 0.0000003400000000, 0.0000071700000000, -0.0004669900000000 ] - [ 0.0000011900000000, 0.0000007800000000, -0.0004659300000000 ] - [ -0.0000007100000000, -0.0000090200000000, -0.0004674600000000 ] - [ 0.0000008200000000, 0.0000011700000000, -0.0004658500000000 ] - [ 0.0000538100000000, -0.0000642200000000, 0.0009164900000000 ] - [ 0.0000620200000000, 0.0000646700000000, 0.0010863400000000 ] - [ -0.0001191600000000, -0.0000002100000000, 0.0009969900000000 ] - [ -0.0002155800000000, 0.0001228700000000, 0.0007014200000000 ] - [ 0.0001695500000000, 0.0000067000000000, 0.0009978500000000 ] - [ -0.0002120100000000, -0.0001162000000000, 0.0012877600000000 ] - [ -0.0000067400000000, -0.0000073400000000, 0.0009963300000000 ] - [ 0.0000034700000000, 0.0000660500000000, 0.0010136500000000 ] - [ -0.0000008100000000, -0.0000730800000000, 0.0009756700000000 ] - [ 0.0062856300000000, 0.0029526700000000, -0.0066859200000000 ] - [ 0.0065367500000000, -0.0031438600000000, 0.0094355100000000 ] - [ -0.0012344800000000, 0.0000000500000000, 0.0012329700000000 ] - [ -0.0008781700000000, 0.0007545800000000, 0.0016209300000000 ] - [ 0.0011324100000000, -0.0000244100000000, 0.0012094100000000 ] - [ -0.0008780300000000, -0.0007553400000000, 0.0008408600000000 ] - [ 0.0004295400000000, -0.0000032100000000, 0.0012350900000000 ] - [ -0.0002148700000000, 0.0005883800000000, 0.0012990800000000 ] - [ -0.0002151300000000, -0.0005888300000000, 0.0011632200000000 ] - [ 0.0000559700000000, 0.0000425800000000, -0.0006264700000000 ] - [ 0.0000490800000000, -0.0000468800000000, -0.0005537000000000 ] - [ -0.0001318100000000, -0.0000037700000000, -0.0005866400000000 ] - [ 0.0000487300000000, 0.0001081000000000, -0.0006726200000000 ] - [ -0.0000641800000000, 0.0000040400000000, -0.0005919000000000 ] - [ 0.0000413300000000, -0.0000961100000000, -0.0005063900000000 ] - [ 0.0001300000000000, 0.0000008100000000, -0.0005936600000000 ] - [ -0.0000641300000000, -0.0000038800000000, -0.0005574300000000 ] - [ -0.0000632800000000, -0.0000033200000000, -0.0006282200000000 ] - [ 0.0062736000000000, -0.0029444100000000, 0.0069813000000000 ] - [ 0.0065179800000000, 0.0031346300000000, -0.0091119000000000 ] - [ -0.0012282200000000, -0.0000016900000000, -0.0009226200000000 ] - [ -0.0002108900000000, 0.0005873100000000, -0.0008581900000000 ] - [ 0.0004243400000000, 0.0000017500000000, -0.0009299600000000 ] - [ -0.0002152100000000, -0.0005849300000000, -0.0009921800000000 ] - [ 0.0011321400000000, 0.0000272500000000, -0.0009055200000000 ] - [ -0.0008785700000000, 0.0007523000000000, -0.0005389200000000 ] - [ -0.0008777000000000, -0.0007516600000000, -0.0013179000000000 ] - [ 0.0000533100000000, 0.0000655300000000, -0.0002334300000000 ] - [ 0.0000509200000000, -0.0000660200000000, -0.0004141500000000 ] - [ -0.0001088900000000, -0.0000012100000000, -0.0003244000000000 ] - [ 0.0000040300000000, 0.0000668100000000, -0.0003014700000000 ] - [ -0.0000125700000000, 0.0000010700000000, -0.0003224400000000 ] - [ 0.0000031200000000, -0.0000630500000000, -0.0003459300000000 ] - [ 0.0001660400000000, -0.0000002100000000, -0.0003235200000000 ] - [ -0.0002122200000000, 0.0001148100000000, -0.0006195200000000 ] - [ -0.0002129300000000, -0.0001161200000000, -0.0000265300000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000293600000000, -0.0000169500000000, -0.0003193400000000 ] - [ 0.0000293600000000, -0.0000169500000000, -0.0003193400000000 ] - [ 0.0000000000000000, 0.0000014800000000, -0.0002885700000000 ] - [ -0.0000302200000000, 0.0000174500000000, -0.0002890100000000 ] - [ 0.0000000000000000, 0.0000339000000000, -0.0003193400000000 ] - [ 0.0000302200000000, 0.0000174500000000, -0.0002890100000000 ] - [ 0.0000000000000000, -0.0000349000000000, -0.0002890100000000 ] - [ -0.0000012800000000, -0.0000007400000000, -0.0002885700000000 ] - [ 0.0000012800000000, -0.0000007400000000, -0.0002885700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004618200000000 ] - [ 0.0001603300000000, 0.0000919400000000, 0.0004040000000000 ] - [ -0.0001603300000000, 0.0000919400000000, 0.0004040000000000 ] - [ -0.0001597900000000, 0.0000928800000000, 0.0004040000000000 ] - [ 0.0001597900000000, 0.0000928800000000, 0.0004040000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002332400000000 ] - [ 0.0000005400000000, -0.0001848200000000, 0.0004040000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005629400000000 ] - [ -0.0000005400000000, -0.0001848200000000, 0.0004040000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003146900000000 ] - [ -0.0001949400000000, 0.0001037300000000, -0.0003311500000000 ] - [ 0.0001949400000000, 0.0001037300000000, -0.0003311500000000 ] - [ 0.0000076400000000, -0.0002206800000000, -0.0003311500000000 ] - [ -0.0000076400000000, -0.0002206800000000, -0.0003311500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001788100000000 ] - [ -0.0001873000000000, 0.0001169600000000, -0.0003311500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004703700000000 ] - [ 0.0001873000000000, 0.0001169600000000, -0.0003311500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0303635200000000 ] - [ -0.0000149100000000, 0.0026448800000000, -0.0050101000000000 ] - [ 0.0000149100000000, 0.0026448800000000, -0.0050101000000000 ] - [ -0.0022830800000000, -0.0013353500000000, -0.0050101000000000 ] - [ 0.0022830800000000, -0.0013353500000000, -0.0050101000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021810000000000 ] - [ -0.0022979900000000, -0.0013095300000000, -0.0050101000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0021517000000000 ] - [ 0.0022979900000000, -0.0013095300000000, -0.0050101000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002104300000000 ] - [ -0.0000353400000000, 0.0000398300000000, -0.0001895700000000 ] - [ 0.0000353400000000, 0.0000398300000000, -0.0001895700000000 ] - [ -0.0000168200000000, -0.0000505200000000, -0.0001895700000000 ] - [ 0.0000168200000000, -0.0000505200000000, -0.0001895700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001925700000000 ] - [ -0.0000521600000000, 0.0000106900000000, -0.0001895700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001727100000000 ] - [ 0.0000521600000000, 0.0000106900000000, -0.0001895700000000 ] - [ 0.0000040600000000, -0.0000023400000000, -0.0005298900000000 ] - [ -0.0000040600000000, -0.0000023400000000, -0.0005298900000000 ] - [ 0.0000000000000000, -0.0000073300000000, -0.0005301200000000 ] - [ 0.0000063500000000, 0.0000036700000000, -0.0005301200000000 ] - [ 0.0000000000000000, 0.0000021600000000, -0.0005320500000000 ] - [ -0.0000063500000000, 0.0000036700000000, -0.0005301200000000 ] - [ 0.0000000000000000, 0.0000046900000000, -0.0005298900000000 ] - [ 0.0000018700000000, -0.0000010800000000, -0.0005320500000000 ] - [ -0.0000018700000000, -0.0000010800000000, -0.0005320500000000 ] - [ -0.0000108900000000, -0.0000062900000000, 0.0005035700000000 ] - [ 0.0000108900000000, -0.0000062900000000, 0.0005035700000000 ] - [ 0.0000000000000000, -0.0001011500000000, 0.0005210600000000 ] - [ 0.0000568600000000, -0.0000328300000000, 0.0005607400000000 ] - [ 0.0000000000000000, 0.0000125700000000, 0.0005035700000000 ] - [ -0.0000568600000000, -0.0000328300000000, 0.0005607400000000 ] - [ 0.0000000000000000, 0.0000656600000000, 0.0005607400000000 ] - [ 0.0000876000000000, 0.0000505700000000, 0.0005210600000000 ] - [ -0.0000876000000000, 0.0000505700000000, 0.0005210600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010100900000000 ] - [ -0.0000028900000000, 0.0000042800000000, 0.0010073400000000 ] - [ 0.0000028900000000, 0.0000042800000000, 0.0010073400000000 ] - [ -0.0000022600000000, -0.0000046400000000, 0.0010073400000000 ] - [ 0.0000022600000000, -0.0000046400000000, 0.0010073400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010091500000000 ] - [ -0.0000051500000000, 0.0000003600000000, 0.0010073400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010042000000000 ] - [ 0.0000051500000000, 0.0000003600000000, 0.0010073400000000 ] - [ -0.0000072300000000, -0.0000041800000000, 0.0005065300000000 ] - [ 0.0000072300000000, -0.0000041800000000, 0.0005065300000000 ] - [ 0.0000000000000000, -0.0000015500000000, 0.0005035500000000 ] - [ -0.0000058600000000, 0.0000033800000000, 0.0005070200000000 ] - [ 0.0000000000000000, 0.0000083500000000, 0.0005065300000000 ] - [ 0.0000058600000000, 0.0000033800000000, 0.0005070200000000 ] - [ 0.0000000000000000, -0.0000067600000000, 0.0005070200000000 ] - [ 0.0000013500000000, 0.0000007800000000, 0.0005035500000000 ] - [ -0.0000013500000000, 0.0000007800000000, 0.0005035500000000 ] - [ 0.0000036800000000, -0.0000021300000000, -0.0005795600000000 ] - [ -0.0000036800000000, -0.0000021300000000, -0.0005795600000000 ] - [ 0.0000000000000000, -0.0000056900000000, -0.0005844000000000 ] - [ 0.0000049300000000, 0.0000028500000000, -0.0005844000000000 ] - [ 0.0000000000000000, 0.0000013300000000, -0.0005763300000000 ] - [ -0.0000049300000000, 0.0000028500000000, -0.0005844000000000 ] - [ 0.0000000000000000, 0.0000042500000000, -0.0005795600000000 ] - [ 0.0000011500000000, -0.0000006700000000, -0.0005763300000000 ] - [ -0.0000011500000000, -0.0000006700000000, -0.0005763300000000 ] - [ -0.0000568300000000, -0.0000328100000000, 0.0008900100000000 ] - [ 0.0000568300000000, -0.0000328100000000, 0.0008900100000000 ] - [ 0.0000000000000000, -0.0000610200000000, 0.0010106200000000 ] - [ -0.0000598400000000, 0.0000345500000000, 0.0008307400000000 ] - [ 0.0000000000000000, 0.0000656300000000, 0.0008900100000000 ] - [ 0.0000598400000000, 0.0000345500000000, 0.0008307400000000 ] - [ 0.0000000000000000, -0.0000690900000000, 0.0008307400000000 ] - [ 0.0000528400000000, 0.0000305100000000, 0.0010106200000000 ] - [ -0.0000528400000000, 0.0000305100000000, 0.0010106200000000 ] - [ -0.0055315000000000, -0.0031936100000000, 0.0093587100000000 ] - [ 0.0055315000000000, -0.0031936100000000, 0.0093587100000000 ] - [ 0.0000000000000000, -0.0000694800000000, 0.0019043200000000 ] - [ 0.0000790300000000, -0.0000456300000000, 0.0023329000000000 ] - [ 0.0000000000000000, 0.0063872200000000, 0.0093587100000000 ] - [ -0.0000790300000000, -0.0000456300000000, 0.0023329000000000 ] - [ 0.0000000000000000, 0.0000912500000000, 0.0023329000000000 ] - [ 0.0000601700000000, 0.0000347400000000, 0.0019043200000000 ] - [ -0.0000601700000000, 0.0000347400000000, 0.0019043200000000 ] - [ 0.0000127400000000, -0.0000073500000000, -0.0007281700000000 ] - [ -0.0000127400000000, -0.0000073500000000, -0.0007281700000000 ] - [ 0.0000000000000000, -0.0001068400000000, -0.0007090400000000 ] - [ 0.0000925300000000, 0.0000534200000000, -0.0007090400000000 ] - [ 0.0000000000000000, 0.0000687700000000, -0.0006729600000000 ] - [ -0.0000925300000000, 0.0000534200000000, -0.0007090400000000 ] - [ 0.0000000000000000, 0.0000147100000000, -0.0007281700000000 ] - [ 0.0000595600000000, -0.0000343900000000, -0.0006729600000000 ] - [ -0.0000595600000000, -0.0000343900000000, -0.0006729600000000 ] - [ 0.0053201700000000, -0.0030716000000000, 0.0071006700000000 ] - [ -0.0053201700000000, -0.0030716000000000, 0.0071006700000000 ] - [ 0.0000000000000000, -0.0000713800000000, -0.0002504100000000 ] - [ 0.0000618200000000, 0.0000356900000000, -0.0002504100000000 ] - [ 0.0000000000000000, 0.0000935700000000, 0.0001752600000000 ] - [ -0.0000618200000000, 0.0000356900000000, -0.0002504100000000 ] - [ 0.0000000000000000, 0.0061432000000000, 0.0071006700000000 ] - [ 0.0000810300000000, -0.0000467800000000, 0.0001752600000000 ] - [ -0.0000810300000000, -0.0000467800000000, 0.0001752600000000 ] - [ 0.0000531500000000, -0.0000306900000000, -0.0004331500000000 ] - [ -0.0000531500000000, -0.0000306900000000, -0.0004331500000000 ] - [ 0.0000000000000000, -0.0000619400000000, -0.0003071900000000 ] - [ 0.0000536400000000, 0.0000309700000000, -0.0003071900000000 ] - [ 0.0000000000000000, -0.0000631100000000, -0.0004850900000000 ] - [ -0.0000536400000000, 0.0000309700000000, -0.0003071900000000 ] - [ 0.0000000000000000, 0.0000613800000000, -0.0004331500000000 ] - [ -0.0000546500000000, 0.0000315500000000, -0.0004850900000000 ] - [ 0.0000546500000000, 0.0000315500000000, -0.0004850900000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000307800000000, -0.0000177700000000, -0.0007675800000000 ] - [ 0.0000307800000000, -0.0000177700000000, -0.0007675800000000 ] - [ 0.0000000000000000, -0.0000009900000000, -0.0007380200000000 ] - [ -0.0000303300000000, 0.0000175100000000, -0.0007369700000000 ] - [ 0.0000000000000000, 0.0000355500000000, -0.0007675800000000 ] - [ 0.0000303300000000, 0.0000175100000000, -0.0007369700000000 ] - [ 0.0000000000000000, -0.0000350200000000, -0.0007369700000000 ] - [ 0.0000008600000000, 0.0000004900000000, -0.0007380200000000 ] - [ -0.0000008600000000, 0.0000004900000000, -0.0007380200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001065300000000 ] - [ -0.0001834100000000, -0.0000612800000000, -0.0000498200000000 ] - [ 0.0001834100000000, -0.0000612800000000, -0.0000498200000000 ] - [ 0.0001447700000000, -0.0001282000000000, -0.0000498200000000 ] - [ -0.0001447700000000, -0.0001282000000000, -0.0000498200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001253200000000 ] - [ -0.0000386400000000, 0.0001894800000000, -0.0000498200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002149600000000 ] - [ 0.0000386400000000, 0.0001894800000000, -0.0000498200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008470200000000 ] - [ 0.0001487900000000, -0.0000494800000000, -0.0007845700000000 ] - [ -0.0001487900000000, -0.0000494800000000, -0.0007845700000000 ] - [ -0.0000315500000000, 0.0001536000000000, -0.0007845700000000 ] - [ 0.0000315500000000, 0.0001536000000000, -0.0007845700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009562800000000 ] - [ 0.0001172400000000, -0.0001041200000000, -0.0007845700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005779100000000 ] - [ -0.0001172400000000, -0.0001041200000000, -0.0007845700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0292129700000000 ] - [ -0.0000156600000000, -0.0026119100000000, 0.0038901300000000 ] - [ 0.0000156600000000, -0.0026119100000000, 0.0038901300000000 ] - [ 0.0022698100000000, 0.0012923900000000, 0.0038901300000000 ] - [ -0.0022698100000000, 0.0012923900000000, 0.0038901300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010366800000000 ] - [ 0.0022541500000000, 0.0013195200000000, 0.0038901300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010659500000000 ] - [ -0.0022541500000000, 0.0013195200000000, 0.0038901300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006445200000000 ] - [ -0.0000336400000000, 0.0000406200000000, -0.0006385400000000 ] - [ 0.0000336400000000, 0.0000406200000000, -0.0006385400000000 ] - [ -0.0000183600000000, -0.0000494500000000, -0.0006385400000000 ] - [ 0.0000183600000000, -0.0000494500000000, -0.0006385400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006428300000000 ] - [ -0.0000520000000000, 0.0000088200000000, -0.0006385400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006227500000000 ] - [ 0.0000520000000000, 0.0000088200000000, -0.0006385400000000 ] - [ 0.0000027500000000, -0.0000015900000000, -0.0003092200000000 ] - [ -0.0000027500000000, -0.0000015900000000, -0.0003092200000000 ] - [ 0.0000000000000000, -0.0000058500000000, -0.0003081700000000 ] - [ 0.0000050700000000, 0.0000029200000000, -0.0003081700000000 ] - [ 0.0000000000000000, 0.0000031600000000, -0.0003081800000000 ] - [ -0.0000050700000000, 0.0000029200000000, -0.0003081700000000 ] - [ 0.0000000000000000, 0.0000031700000000, -0.0003092200000000 ] - [ 0.0000027400000000, -0.0000015800000000, -0.0003081800000000 ] - [ -0.0000027400000000, -0.0000015800000000, -0.0003081800000000 ] - [ 0.0000088600000000, 0.0000051100000000, 0.0007770500000000 ] - [ -0.0000088600000000, 0.0000051100000000, 0.0007770500000000 ] - [ 0.0000000000000000, 0.0001014400000000, 0.0007616400000000 ] - [ -0.0000587500000000, 0.0000339200000000, 0.0007212800000000 ] - [ 0.0000000000000000, -0.0000102300000000, 0.0007770500000000 ] - [ 0.0000587500000000, 0.0000339200000000, 0.0007212800000000 ] - [ 0.0000000000000000, -0.0000678400000000, 0.0007212800000000 ] - [ -0.0000878500000000, -0.0000507200000000, 0.0007616400000000 ] - [ 0.0000878500000000, -0.0000507200000000, 0.0007616400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012325300000000 ] - [ -0.0000027400000000, 0.0000034900000000, 0.0012306300000000 ] - [ 0.0000027400000000, 0.0000034900000000, 0.0012306300000000 ] - [ -0.0000016500000000, -0.0000041200000000, 0.0012306300000000 ] - [ 0.0000016500000000, -0.0000041200000000, 0.0012306300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012313300000000 ] - [ -0.0000043900000000, 0.0000006300000000, 0.0012306300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012263400000000 ] - [ 0.0000043900000000, 0.0000006300000000, 0.0012306300000000 ] - [ -0.0000036700000000, -0.0000021200000000, 0.0007309000000000 ] - [ 0.0000036700000000, -0.0000021200000000, 0.0007309000000000 ] - [ 0.0000000000000000, 0.0000010200000000, 0.0007319000000000 ] - [ -0.0000046000000000, 0.0000026500000000, 0.0007284800000000 ] - [ 0.0000000000000000, 0.0000042400000000, 0.0007309000000000 ] - [ 0.0000046000000000, 0.0000026500000000, 0.0007284800000000 ] - [ 0.0000000000000000, -0.0000053100000000, 0.0007284800000000 ] - [ -0.0000008900000000, -0.0000005100000000, 0.0007319000000000 ] - [ 0.0000008900000000, -0.0000005100000000, 0.0007319000000000 ] - [ 0.0000017600000000, -0.0000010200000000, -0.0003565400000000 ] - [ -0.0000017600000000, -0.0000010200000000, -0.0003565400000000 ] - [ 0.0000000000000000, -0.0000050300000000, -0.0003572600000000 ] - [ 0.0000043600000000, 0.0000025100000000, -0.0003572600000000 ] - [ 0.0000000000000000, 0.0000031700000000, -0.0003570300000000 ] - [ -0.0000043600000000, 0.0000025100000000, -0.0003572600000000 ] - [ 0.0000000000000000, 0.0000020300000000, -0.0003565400000000 ] - [ 0.0000027400000000, -0.0000015800000000, -0.0003570300000000 ] - [ -0.0000027400000000, -0.0000015800000000, -0.0003570300000000 ] - [ 0.0000488400000000, 0.0000282000000000, 0.0011103800000000 ] - [ -0.0000488400000000, 0.0000282000000000, 0.0011103800000000 ] - [ 0.0000000000000000, 0.0000606600000000, 0.0009797100000000 ] - [ 0.0000513900000000, -0.0000296700000000, 0.0011578300000000 ] - [ 0.0000000000000000, -0.0000563900000000, 0.0011103800000000 ] - [ -0.0000513900000000, -0.0000296700000000, 0.0011578300000000 ] - [ 0.0000000000000000, 0.0000593400000000, 0.0011578300000000 ] - [ -0.0000525300000000, -0.0000303300000000, 0.0009797100000000 ] - [ 0.0000525300000000, -0.0000303300000000, 0.0009797100000000 ] - [ 0.0053274200000000, 0.0030757900000000, -0.0067974200000000 ] - [ -0.0053274200000000, 0.0030757900000000, -0.0067974200000000 ] - [ 0.0000000000000000, 0.0000690900000000, 0.0005595800000000 ] - [ -0.0000816900000000, 0.0000471700000000, 0.0001301500000000 ] - [ 0.0000000000000000, -0.0061515800000000, -0.0067974200000000 ] - [ 0.0000816900000000, 0.0000471700000000, 0.0001301500000000 ] - [ 0.0000000000000000, -0.0000943300000000, 0.0001301500000000 ] - [ -0.0000598400000000, -0.0000345500000000, 0.0005595800000000 ] - [ 0.0000598400000000, -0.0000345500000000, 0.0005595800000000 ] - [ -0.0000075100000000, 0.0000043300000000, -0.0004536100000000 ] - [ 0.0000075100000000, 0.0000043300000000, -0.0004536100000000 ] - [ 0.0000000000000000, 0.0000959100000000, -0.0004675700000000 ] - [ -0.0000830600000000, -0.0000479600000000, -0.0004675700000000 ] - [ 0.0000000000000000, -0.0000643900000000, -0.0005111200000000 ] - [ 0.0000830600000000, -0.0000479600000000, -0.0004675700000000 ] - [ 0.0000000000000000, -0.0000086700000000, -0.0004536100000000 ] - [ -0.0000557600000000, 0.0000322000000000, -0.0005111200000000 ] - [ 0.0000557600000000, 0.0000322000000000, -0.0005111200000000 ] - [ -0.0055193900000000, 0.0031866200000000, -0.0090468200000000 ] - [ 0.0055193900000000, 0.0031866200000000, -0.0090468200000000 ] - [ 0.0000000000000000, 0.0000672700000000, -0.0015983400000000 ] - [ -0.0000582500000000, -0.0000336300000000, -0.0015983400000000 ] - [ 0.0000000000000000, -0.0000919300000000, -0.0020313200000000 ] - [ 0.0000582500000000, -0.0000336300000000, -0.0015983400000000 ] - [ 0.0000000000000000, -0.0063732500000000, -0.0090468200000000 ] - [ -0.0000796100000000, 0.0000459600000000, -0.0020313200000000 ] - [ 0.0000796100000000, 0.0000459600000000, -0.0020313200000000 ] - [ -0.0000517500000000, 0.0000298800000000, -0.0002136800000000 ] - [ 0.0000517500000000, 0.0000298800000000, -0.0002136800000000 ] - [ 0.0000000000000000, 0.0000593800000000, -0.0003398600000000 ] - [ -0.0000514200000000, -0.0000296900000000, -0.0003398600000000 ] - [ 0.0000000000000000, 0.0000652200000000, -0.0001586200000000 ] - [ 0.0000514200000000, -0.0000296900000000, -0.0003398600000000 ] - [ 0.0000000000000000, -0.0000597600000000, -0.0002136800000000 ] - [ 0.0000564800000000, -0.0000326100000000, -0.0001586200000000 ] - [ -0.0000564800000000, -0.0000326100000000, -0.0001586200000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002178800000000, 0.0000816700000000, -0.0005737700000000 ] - [ -0.0001575300000000, -0.0000819300000000, -0.0005352200000000 ] - [ 0.0004214700000000, 0.0000004100000000, -0.0005213300000000 ] - [ 0.0001445700000000, -0.0000266300000000, -0.0003255300000000 ] - [ -0.0003294100000000, 0.0000517600000000, -0.0005212300000000 ] - [ 0.0001756100000000, 0.0000789300000000, -0.0006924200000000 ] - [ 0.0000686700000000, -0.0000520000000000, -0.0005208100000000 ] - [ -0.0000236800000000, -0.0002907800000000, -0.0002903000000000 ] - [ -0.0000524700000000, 0.0002398900000000, -0.0007281300000000 ] - [ -0.0000103000000000, -0.0000018200000000, 0.0001770000000000 ] - [ 0.0000044500000000, 0.0000315500000000, 0.0001767700000000 ] - [ 0.0000079600000000, -0.0000019500000000, 0.0001794100000000 ] - [ -0.0000009400000000, -0.0000419800000000, 0.0001717700000000 ] - [ 0.0000260300000000, -0.0000106100000000, 0.0001819300000000 ] - [ -0.0000255200000000, -0.0000157700000000, 0.0001792700000000 ] - [ -0.0000345400000000, 0.0000165700000000, 0.0001694300000000 ] - [ 0.0000367500000000, 0.0000187600000000, 0.0001744900000000 ] - [ -0.0000028500000000, 0.0000067300000000, 0.0001822700000000 ] - [ -0.0002808400000000, -0.0000062600000000, -0.0005811800000000 ] - [ 0.0001341800000000, 0.0001852600000000, -0.0003964300000000 ] - [ 0.0001462400000000, -0.0001385200000000, -0.0007534800000000 ] - [ -0.0000108000000000, -0.0002824700000000, -0.0006770000000000 ] - [ 0.0000344800000000, 0.0001894400000000, -0.0004159200000000 ] - [ -0.0000207300000000, -0.0000267000000000, -0.0005683600000000 ] - [ -0.0002969500000000, -0.0000504000000000, -0.0005044700000000 ] - [ 0.0006259300000000, 0.0000331900000000, -0.0005245800000000 ] - [ -0.0002400500000000, 0.0000979300000000, -0.0006004400000000 ] - [ -0.0000057800000000, -0.0000031500000000, -0.0005650300000000 ] - [ 0.0000008300000000, 0.0000357500000000, -0.0005713200000000 ] - [ 0.0000068100000000, -0.0000061000000000, -0.0005656300000000 ] - [ 0.0000033700000000, -0.0000417800000000, -0.0005432000000000 ] - [ 0.0000313900000000, -0.0000149400000000, -0.0005720300000000 ] - [ -0.0000355600000000, -0.0000164700000000, -0.0005721800000000 ] - [ -0.0000364200000000, 0.0000218500000000, -0.0005425300000000 ] - [ 0.0000379700000000, 0.0000203900000000, -0.0005431400000000 ] - [ -0.0000018100000000, 0.0000059200000000, -0.0005656800000000 ] - [ -0.0345925400000000, -0.0000223800000000, -0.0004246500000000 ] - [ 0.0061929200000000, 0.0000763600000000, -0.0004261500000000 ] - [ 0.0061637900000000, -0.0000087000000000, -0.0004180700000000 ] - [ -0.0005341100000000, -0.0039737900000000, -0.0026682300000000 ] - [ -0.0004762000000000, 0.0038396000000000, 0.0018600600000000 ] - [ 0.0013684300000000, -0.0000365900000000, -0.0004192700000000 ] - [ -0.0006323300000000, -0.0038272100000000, -0.0026843800000000 ] - [ 0.0015252100000000, 0.0000526500000000, -0.0003963700000000 ] - [ -0.0005348400000000, 0.0038850900000000, 0.0018521000000000 ] - [ 0.0062025100000000, -0.0029138600000000, 0.0074942800000000 ] - [ 0.0064410700000000, 0.0030985800000000, -0.0086117100000000 ] - [ -0.0012490700000000, -0.0000050500000000, -0.0004186600000000 ] - [ -0.0002077800000000, 0.0006045900000000, -0.0003599500000000 ] - [ 0.0004253500000000, 0.0000051000000000, -0.0004222800000000 ] - [ -0.0002178900000000, -0.0005919900000000, -0.0004786800000000 ] - [ 0.0011158200000000, 0.0000284500000000, -0.0003965400000000 ] - [ -0.0008790100000000, 0.0007499300000000, -0.0000464300000000 ] - [ -0.0008759300000000, -0.0007544300000000, -0.0007937800000000 ] - [ 0.0000012700000000, -0.0000008600000000, 0.0006359900000000 ] - [ 0.0000035400000000, 0.0000006300000000, 0.0006448200000000 ] - [ -0.0000042900000000, -0.0000001600000000, 0.0006407500000000 ] - [ -0.0000018000000000, 0.0000017700000000, 0.0006405200000000 ] - [ 0.0000037200000000, 0.0000019900000000, 0.0006407500000000 ] - [ -0.0000007700000000, 0.0000001800000000, 0.0006428100000000 ] - [ 0.0000001000000000, -0.0000018800000000, 0.0006407300000000 ] - [ 0.0000001100000000, 0.0000012200000000, 0.0006482900000000 ] - [ -0.0000011500000000, -0.0000031200000000, 0.0006348500000000 ] - [ 0.0001470000000000, -0.0000000900000000, 0.0011220500000000 ] - [ -0.0001324600000000, 0.0000849400000000, 0.0013281500000000 ] - [ -0.0001310100000000, -0.0000766900000000, 0.0009145700000000 ] - [ 0.0000541900000000, 0.0001401400000000, 0.0008893000000000 ] - [ 0.0000612700000000, -0.0001528600000000, 0.0013478300000000 ] - [ -0.0001078600000000, -0.0000039500000000, 0.0011203700000000 ] - [ 0.0000165800000000, 0.0000535100000000, 0.0010958700000000 ] - [ -0.0000112500000000, 0.0000044700000000, 0.0011156200000000 ] - [ 0.0000232300000000, -0.0000474000000000, 0.0011407800000000 ] - [ 0.0062853000000000, 0.0029528300000000, -0.0073058300000000 ] - [ 0.0065435600000000, -0.0031442500000000, 0.0088227000000000 ] - [ -0.0012401200000000, -0.0000001400000000, 0.0006177000000000 ] - [ -0.0008813000000000, 0.0007616000000000, 0.0010043900000000 ] - [ 0.0011351600000000, -0.0000181600000000, 0.0005940700000000 ] - [ -0.0008778700000000, -0.0007560300000000, 0.0002303500000000 ] - [ 0.0004347200000000, -0.0000091100000000, 0.0006197700000000 ] - [ -0.0002152500000000, 0.0005874100000000, 0.0006891400000000 ] - [ -0.0002192500000000, -0.0005937000000000, 0.0005455100000000 ] - [ 0.0000558200000000, -0.0000578600000000, -0.0005169900000000 ] - [ 0.0000493600000000, 0.0000523100000000, -0.0004219200000000 ] - [ -0.0001110300000000, -0.0000037900000000, -0.0004729300000000 ] - [ -0.0000914400000000, 0.0000149600000000, -0.0005336300000000 ] - [ 0.0001967800000000, 0.0000042200000000, -0.0004673600000000 ] - [ -0.0000988700000000, -0.0000033900000000, -0.0004068300000000 ] - [ -0.0000428200000000, 0.0000008800000000, -0.0004660400000000 ] - [ 0.0000312400000000, 0.0000913600000000, -0.0003990100000000 ] - [ 0.0000325900000000, -0.0000989900000000, -0.0005346600000000 ] - [ 0.0000564700000000, -0.0000434500000000, 0.0010380600000000 ] - [ 0.0000643100000000, 0.0000431100000000, 0.0009637800000000 ] - [ -0.0001463600000000, 0.0000000200000000, 0.0009968100000000 ] - [ -0.0000677800000000, 0.0000110200000000, 0.0010314300000000 ] - [ 0.0001353700000000, 0.0000069000000000, 0.0009968400000000 ] - [ -0.0000637500000000, -0.0000039500000000, 0.0009570100000000 ] - [ -0.0000527800000000, -0.0000068600000000, 0.0009966600000000 ] - [ 0.0000418100000000, 0.0001041000000000, 0.0009118300000000 ] - [ 0.0000381700000000, -0.0001110900000000, 0.0010775000000000 ] - [ 0.0000010400000000, -0.0000001000000000, 0.0012371800000000 ] - [ 0.0000046700000000, -0.0000001100000000, 0.0012337700000000 ] - [ -0.0000036800000000, -0.0000001500000000, 0.0012331900000000 ] - [ -0.0000022700000000, 0.0000038800000000, 0.0012316200000000 ] - [ 0.0000028600000000, 0.0000031800000000, 0.0012331900000000 ] - [ -0.0000005300000000, -0.0000007300000000, 0.0012307100000000 ] - [ 0.0000026100000000, -0.0000031000000000, 0.0012332000000000 ] - [ 0.0000004400000000, 0.0000002800000000, 0.0012299000000000 ] - [ -0.0000014600000000, -0.0000033800000000, 0.0012329300000000 ] - [ 0.0000535000000000, 0.0000636000000000, -0.0005044700000000 ] - [ 0.0000469700000000, -0.0000686900000000, -0.0006767100000000 ] - [ -0.0001051900000000, -0.0000035400000000, -0.0005868300000000 ] - [ 0.0000097800000000, 0.0000704400000000, -0.0005708400000000 ] - [ -0.0000181700000000, 0.0000045200000000, -0.0005915800000000 ] - [ 0.0000030100000000, -0.0000584000000000, -0.0006081700000000 ] - [ 0.0001648000000000, 0.0000010200000000, -0.0005946900000000 ] - [ -0.0002132300000000, 0.0001088300000000, -0.0008899600000000 ] - [ -0.0002119300000000, -0.0001156400000000, -0.0002964200000000 ] - [ 0.0000008900000000, 0.0000025000000000, -0.0009315100000000 ] - [ -0.0000019400000000, -0.0000027800000000, -0.0009208400000000 ] - [ 0.0000002100000000, -0.0000013800000000, -0.0009229500000000 ] - [ 0.0000029600000000, 0.0000034600000000, -0.0009337000000000 ] - [ -0.0000051500000000, 0.0000017500000000, -0.0009281600000000 ] - [ 0.0000003200000000, 0.0000018100000000, -0.0009173700000000 ] - [ 0.0000040600000000, -0.0000001900000000, -0.0009294000000000 ] - [ -0.0000019300000000, -0.0000031800000000, -0.0009280600000000 ] - [ -0.0000026500000000, 0.0000001400000000, -0.0009295000000000 ] - [ 0.0000008000000000, 0.0000031000000000, -0.0003239200000000 ] - [ -0.0000017100000000, -0.0000027200000000, -0.0003228900000000 ] - [ 0.0000015900000000, -0.0000011900000000, -0.0003242700000000 ] - [ 0.0000029800000000, 0.0000024600000000, -0.0003212400000000 ] - [ -0.0000047600000000, 0.0000008300000000, -0.0003229500000000 ] - [ 0.0000019100000000, 0.0000014700000000, -0.0003259500000000 ] - [ 0.0000045900000000, -0.0000004200000000, -0.0003225500000000 ] - [ -0.0000023800000000, -0.0000017600000000, -0.0003212100000000 ] - [ -0.0000034900000000, 0.0000003500000000, -0.0003242700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001695300000000, 0.0000978800000000, -0.0002155500000000 ] - [ -0.0001695300000000, 0.0000978800000000, -0.0002155500000000 ] - [ 0.0000000000000000, 0.0001752500000000, -0.0003219600000000 ] - [ 0.0000142700000000, -0.0000082400000000, -0.0003499400000000 ] - [ 0.0000000000000000, -0.0001957600000000, -0.0002155500000000 ] - [ -0.0000142700000000, -0.0000082400000000, -0.0003499400000000 ] - [ 0.0000000000000000, 0.0000164800000000, -0.0003499400000000 ] - [ -0.0001517700000000, -0.0000876200000000, -0.0003219600000000 ] - [ 0.0001517700000000, -0.0000876200000000, -0.0003219600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003950000000000 ] - [ -0.0000133800000000, 0.0000185000000000, 0.0004009700000000 ] - [ 0.0000133800000000, 0.0000185000000000, 0.0004009700000000 ] - [ -0.0000093300000000, -0.0000208400000000, 0.0004009700000000 ] - [ 0.0000093300000000, -0.0000208400000000, 0.0004009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004074700000000 ] - [ -0.0000227100000000, 0.0000023400000000, 0.0004009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003955000000000 ] - [ 0.0000227100000000, 0.0000023400000000, 0.0004009700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003045700000000 ] - [ 0.0001488900000000, 0.0001025300000000, -0.0003325900000000 ] - [ -0.0001488900000000, 0.0001025300000000, -0.0003325900000000 ] - [ -0.0001632400000000, 0.0000776700000000, -0.0003325900000000 ] - [ 0.0001632400000000, 0.0000776700000000, -0.0003325900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005161300000000 ] - [ -0.0000143500000000, -0.0001802100000000, -0.0003325900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001376000000000 ] - [ 0.0000143500000000, -0.0001802100000000, -0.0003325900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003500700000000 ] - [ -0.0000129500000000, 0.0000159700000000, -0.0003360400000000 ] - [ 0.0000129500000000, 0.0000159700000000, -0.0003360400000000 ] - [ -0.0000073500000000, -0.0000192000000000, -0.0003360400000000 ] - [ 0.0000073500000000, -0.0000192000000000, -0.0003360400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003476000000000 ] - [ -0.0000203000000000, 0.0000032300000000, -0.0003360400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003184700000000 ] - [ 0.0000203000000000, 0.0000032300000000, -0.0003360400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0301742100000000 ] - [ -0.0000274700000000, 0.0026711900000000, -0.0048641200000000 ] - [ 0.0000274700000000, 0.0026711900000000, -0.0048641200000000 ] - [ -0.0022995800000000, -0.0013593900000000, -0.0048641200000000 ] - [ 0.0022995800000000, -0.0013593900000000, -0.0048641200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020300700000000 ] - [ -0.0023270500000000, -0.0013118000000000, -0.0048641200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020098600000000 ] - [ 0.0023270500000000, -0.0013118000000000, -0.0048641200000000 ] - [ 0.0052296600000000, -0.0030193500000000, 0.0075901600000000 ] - [ -0.0052296600000000, -0.0030193500000000, 0.0075901600000000 ] - [ 0.0000000000000000, -0.0000834000000000, 0.0002615700000000 ] - [ 0.0000722300000000, 0.0000417000000000, 0.0002615700000000 ] - [ 0.0000000000000000, 0.0001051700000000, 0.0006736000000000 ] - [ -0.0000722300000000, 0.0000417000000000, 0.0002615700000000 ] - [ 0.0000000000000000, 0.0060386900000000, 0.0075901600000000 ] - [ 0.0000910800000000, -0.0000525800000000, 0.0006736000000000 ] - [ -0.0000910800000000, -0.0000525800000000, 0.0006736000000000 ] - [ -0.0000025800000000, -0.0000014900000000, 0.0005311600000000 ] - [ 0.0000025800000000, -0.0000014900000000, 0.0005311600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005311800000000 ] - [ -0.0000018500000000, 0.0000010700000000, 0.0005277300000000 ] - [ 0.0000000000000000, 0.0000029800000000, 0.0005311600000000 ] - [ 0.0000018500000000, 0.0000010700000000, 0.0005277300000000 ] - [ 0.0000000000000000, -0.0000021400000000, 0.0005277300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005311800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005311800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008852400000000 ] - [ 0.0000644000000000, -0.0000246100000000, 0.0010420200000000 ] - [ -0.0000644000000000, -0.0000246100000000, 0.0010420200000000 ] - [ -0.0000108900000000, 0.0000680800000000, 0.0010420200000000 ] - [ 0.0000108900000000, 0.0000680800000000, 0.0010420200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010590200000000 ] - [ 0.0000535100000000, -0.0000434700000000, 0.0010420200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011962800000000 ] - [ -0.0000535100000000, -0.0000434700000000, 0.0010420200000000 ] - [ -0.0055392800000000, -0.0031981000000000, 0.0087442900000000 ] - [ 0.0055392800000000, -0.0031981000000000, 0.0087442900000000 ] - [ 0.0000000000000000, -0.0000703300000000, 0.0012897900000000 ] - [ 0.0000801700000000, -0.0000462900000000, 0.0017132800000000 ] - [ 0.0000000000000000, 0.0063962100000000, 0.0087442900000000 ] - [ -0.0000801700000000, -0.0000462900000000, 0.0017132800000000 ] - [ 0.0000000000000000, 0.0000925800000000, 0.0017132800000000 ] - [ 0.0000609100000000, 0.0000351700000000, 0.0012897900000000 ] - [ -0.0000609100000000, 0.0000351700000000, 0.0012897900000000 ] - [ -0.0000770600000000, 0.0000444900000000, -0.0006161900000000 ] - [ 0.0000770600000000, 0.0000444900000000, -0.0006161900000000 ] - [ 0.0000000000000000, 0.0000408300000000, -0.0005754800000000 ] - [ -0.0000353600000000, -0.0000204100000000, -0.0005754800000000 ] - [ 0.0000000000000000, 0.0000478600000000, -0.0005529900000000 ] - [ 0.0000353600000000, -0.0000204100000000, -0.0005754800000000 ] - [ 0.0000000000000000, -0.0000889800000000, -0.0006161900000000 ] - [ 0.0000414500000000, -0.0000239300000000, -0.0005529900000000 ] - [ -0.0000414500000000, -0.0000239300000000, -0.0005529900000000 ] - [ -0.0000140100000000, -0.0000080900000000, 0.0008615100000000 ] - [ 0.0000140100000000, -0.0000080900000000, 0.0008615100000000 ] - [ 0.0000000000000000, -0.0001011900000000, 0.0008740000000000 ] - [ 0.0000538500000000, -0.0000310900000000, 0.0009131300000000 ] - [ 0.0000000000000000, 0.0000161800000000, 0.0008615100000000 ] - [ -0.0000538500000000, -0.0000310900000000, 0.0009131300000000 ] - [ 0.0000000000000000, 0.0000621800000000, 0.0009131300000000 ] - [ 0.0000876400000000, 0.0000506000000000, 0.0008740000000000 ] - [ -0.0000876400000000, 0.0000506000000000, 0.0008740000000000 ] - [ -0.0000025600000000, -0.0000014800000000, 0.0011233300000000 ] - [ 0.0000025600000000, -0.0000014800000000, 0.0011233300000000 ] - [ 0.0000000000000000, -0.0000008900000000, 0.0011200000000000 ] - [ -0.0000021900000000, 0.0000012600000000, 0.0011189500000000 ] - [ 0.0000000000000000, 0.0000029500000000, 0.0011233300000000 ] - [ 0.0000021900000000, 0.0000012600000000, 0.0011189500000000 ] - [ 0.0000000000000000, -0.0000025300000000, 0.0011189500000000 ] - [ 0.0000007700000000, 0.0000004400000000, 0.0011200000000000 ] - [ -0.0000007700000000, 0.0000004400000000, 0.0011200000000000 ] - [ 0.0000555200000000, -0.0000320600000000, -0.0007011400000000 ] - [ -0.0000555200000000, -0.0000320600000000, -0.0007011400000000 ] - [ 0.0000000000000000, -0.0000660300000000, -0.0005716300000000 ] - [ 0.0000571900000000, 0.0000330200000000, -0.0005716300000000 ] - [ 0.0000000000000000, -0.0000619100000000, -0.0007547500000000 ] - [ -0.0000571900000000, 0.0000330200000000, -0.0005716300000000 ] - [ 0.0000000000000000, 0.0000641100000000, -0.0007011400000000 ] - [ -0.0000536200000000, 0.0000309500000000, -0.0007547500000000 ] - [ 0.0000536200000000, 0.0000309500000000, -0.0007547500000000 ] - [ 0.0000025100000000, -0.0000014500000000, -0.0010383200000000 ] - [ -0.0000025100000000, -0.0000014500000000, -0.0010383200000000 ] - [ 0.0000000000000000, -0.0000033700000000, -0.0010377200000000 ] - [ 0.0000029100000000, 0.0000016800000000, -0.0010377200000000 ] - [ 0.0000000000000000, 0.0000005500000000, -0.0010382200000000 ] - [ -0.0000029100000000, 0.0000016800000000, -0.0010377200000000 ] - [ 0.0000000000000000, 0.0000029000000000, -0.0010383200000000 ] - [ 0.0000004800000000, -0.0000002800000000, -0.0010382200000000 ] - [ -0.0000004800000000, -0.0000002800000000, -0.0010382200000000 ] - [ 0.0000015300000000, -0.0000008800000000, -0.0004342600000000 ] - [ -0.0000015300000000, -0.0000008800000000, -0.0004342600000000 ] - [ 0.0000000000000000, -0.0000034700000000, -0.0004359700000000 ] - [ 0.0000030100000000, 0.0000017400000000, -0.0004359700000000 ] - [ 0.0000000000000000, 0.0000014900000000, -0.0004333500000000 ] - [ -0.0000030100000000, 0.0000017400000000, -0.0004359700000000 ] - [ 0.0000000000000000, 0.0000017700000000, -0.0004342600000000 ] - [ 0.0000012900000000, -0.0000007400000000, -0.0004333500000000 ] - [ -0.0000012900000000, -0.0000007400000000, -0.0004333500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002313000000000, -0.0001335400000000, -0.0008729300000000 ] - [ 0.0002313000000000, -0.0001335400000000, -0.0008729300000000 ] - [ 0.0000000000000000, -0.0001743300000000, -0.0007053800000000 ] - [ -0.0000750100000000, 0.0000433000000000, -0.0006768500000000 ] - [ 0.0000000000000000, 0.0002670800000000, -0.0008729300000000 ] - [ 0.0000750100000000, 0.0000433000000000, -0.0006768500000000 ] - [ 0.0000000000000000, -0.0000866100000000, -0.0006768500000000 ] - [ 0.0001509700000000, 0.0000871600000000, -0.0007053800000000 ] - [ -0.0001509700000000, 0.0000871600000000, -0.0007053800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000419600000000 ] - [ -0.0000104000000000, 0.0000132200000000, -0.0000474700000000 ] - [ 0.0000104000000000, 0.0000132200000000, -0.0000474700000000 ] - [ -0.0000062500000000, -0.0000156200000000, -0.0000474700000000 ] - [ 0.0000062500000000, -0.0000156200000000, -0.0000474700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000493400000000 ] - [ -0.0000166500000000, 0.0000023900000000, -0.0000474700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000467300000000 ] - [ 0.0000166500000000, 0.0000023900000000, -0.0000474700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008598200000000 ] - [ -0.0001948000000000, -0.0000503900000000, -0.0007830000000000 ] - [ 0.0001948000000000, -0.0000503900000000, -0.0007830000000000 ] - [ 0.0001410300000000, -0.0001435100000000, -0.0007830000000000 ] - [ -0.0001410300000000, -0.0001435100000000, -0.0007830000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006205500000000 ] - [ -0.0000537600000000, 0.0001938900000000, -0.0007830000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009120700000000 ] - [ 0.0000537600000000, 0.0001938900000000, -0.0007830000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007830800000000 ] - [ -0.0000145500000000, 0.0000168200000000, -0.0007837500000000 ] - [ 0.0000145500000000, 0.0000168200000000, -0.0007837500000000 ] - [ -0.0000072900000000, -0.0000210100000000, -0.0007837500000000 ] - [ 0.0000072900000000, -0.0000210100000000, -0.0007837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007963100000000 ] - [ -0.0000218400000000, 0.0000041900000000, -0.0007837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007674800000000 ] - [ 0.0000218400000000, 0.0000041900000000, -0.0007837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0293766400000000 ] - [ -0.0000445200000000, -0.0025903300000000, 0.0040346600000000 ] - [ 0.0000445200000000, -0.0025903300000000, 0.0040346600000000 ] - [ 0.0022655500000000, 0.0012566100000000, 0.0040346600000000 ] - [ -0.0022655500000000, 0.0012566100000000, 0.0040346600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011933100000000 ] - [ 0.0022210300000000, 0.0013337200000000, 0.0040346600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012136100000000 ] - [ -0.0022210300000000, 0.0013337200000000, 0.0040346600000000 ] - [ -0.0054236900000000, 0.0031313700000000, -0.0085256500000000 ] - [ 0.0054236900000000, 0.0031313700000000, -0.0085256500000000 ] - [ 0.0000000000000000, 0.0000701300000000, -0.0011042100000000 ] - [ -0.0000607400000000, -0.0000350700000000, -0.0011042100000000 ] - [ 0.0000000000000000, -0.0001005500000000, -0.0015176300000000 ] - [ 0.0000607400000000, -0.0000350700000000, -0.0011042100000000 ] - [ 0.0000000000000000, -0.0062627400000000, -0.0085256500000000 ] - [ -0.0000870800000000, 0.0000502800000000, -0.0015176300000000 ] - [ 0.0000870800000000, 0.0000502800000000, -0.0015176300000000 ] - [ 0.0000002400000000, 0.0000001400000000, 0.0007528800000000 ] - [ -0.0000002400000000, 0.0000001400000000, 0.0007528800000000 ] - [ 0.0000000000000000, -0.0000002000000000, 0.0007543700000000 ] - [ -0.0000002900000000, 0.0000001700000000, 0.0007580000000000 ] - [ 0.0000000000000000, -0.0000002800000000, 0.0007528800000000 ] - [ 0.0000002900000000, 0.0000001700000000, 0.0007580000000000 ] - [ 0.0000000000000000, -0.0000003400000000, 0.0007580000000000 ] - [ 0.0000001700000000, 0.0000001000000000, 0.0007543700000000 ] - [ -0.0000001700000000, 0.0000001000000000, 0.0007543700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013629400000000 ] - [ -0.0000698700000000, 0.0000319700000000, 0.0011989900000000 ] - [ 0.0000698700000000, 0.0000319700000000, 0.0011989900000000 ] - [ 0.0000072500000000, -0.0000764900000000, 0.0011989900000000 ] - [ -0.0000072500000000, -0.0000764900000000, 0.0011989900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011850600000000 ] - [ -0.0000626200000000, 0.0000445200000000, 0.0011989900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010384600000000 ] - [ 0.0000626200000000, 0.0000445200000000, 0.0011989900000000 ] - [ 0.0053281000000000, 0.0030761800000000, -0.0074111500000000 ] - [ -0.0053281000000000, 0.0030761800000000, -0.0074111500000000 ] - [ 0.0000000000000000, 0.0000696200000000, -0.0000508500000000 ] - [ -0.0000896700000000, 0.0000517700000000, -0.0004746900000000 ] - [ 0.0000000000000000, -0.0061523700000000, -0.0074111500000000 ] - [ 0.0000896700000000, 0.0000517700000000, -0.0004746900000000 ] - [ 0.0000000000000000, -0.0001035400000000, -0.0004746900000000 ] - [ -0.0000603000000000, -0.0000348100000000, -0.0000508500000000 ] - [ 0.0000603000000000, -0.0000348100000000, -0.0000508500000000 ] - [ 0.0000829800000000, -0.0000479100000000, -0.0003241200000000 ] - [ -0.0000829800000000, -0.0000479100000000, -0.0003241200000000 ] - [ 0.0000000000000000, -0.0000513700000000, -0.0003710100000000 ] - [ 0.0000444800000000, 0.0000256800000000, -0.0003710100000000 ] - [ 0.0000000000000000, -0.0000432200000000, -0.0003852800000000 ] - [ -0.0000444800000000, 0.0000256800000000, -0.0003710100000000 ] - [ 0.0000000000000000, 0.0000958200000000, -0.0003241200000000 ] - [ -0.0000374300000000, 0.0000216100000000, -0.0003852800000000 ] - [ 0.0000374300000000, 0.0000216100000000, -0.0003852800000000 ] - [ 0.0000060800000000, 0.0000035100000000, 0.0011404500000000 ] - [ -0.0000060800000000, 0.0000035100000000, 0.0011404500000000 ] - [ 0.0000000000000000, 0.0001014800000000, 0.0011200000000000 ] - [ -0.0000615500000000, 0.0000355300000000, 0.0010796400000000 ] - [ 0.0000000000000000, -0.0000070200000000, 0.0011404500000000 ] - [ 0.0000615500000000, 0.0000355300000000, 0.0010796400000000 ] - [ 0.0000000000000000, -0.0000710700000000, 0.0010796400000000 ] - [ -0.0000878800000000, -0.0000507400000000, 0.0011200000000000 ] - [ 0.0000878800000000, -0.0000507400000000, 0.0011200000000000 ] - [ -0.0000011100000000, -0.0000006400000000, 0.0013501800000000 ] - [ 0.0000011100000000, -0.0000006400000000, 0.0013501800000000 ] - [ 0.0000000000000000, 0.0000006900000000, 0.0013480700000000 ] - [ -0.0000013400000000, 0.0000007700000000, 0.0013487300000000 ] - [ 0.0000000000000000, 0.0000012800000000, 0.0013501800000000 ] - [ 0.0000013400000000, 0.0000007700000000, 0.0013487300000000 ] - [ 0.0000000000000000, -0.0000015500000000, 0.0013487300000000 ] - [ -0.0000005900000000, -0.0000003400000000, 0.0013480700000000 ] - [ 0.0000005900000000, -0.0000003400000000, 0.0013480700000000 ] - [ -0.0000499400000000, 0.0000288300000000, -0.0004866300000000 ] - [ 0.0000499400000000, 0.0000288300000000, -0.0004866300000000 ] - [ 0.0000000000000000, 0.0000557100000000, -0.0006089400000000 ] - [ -0.0000482500000000, -0.0000278600000000, -0.0006089400000000 ] - [ 0.0000000000000000, 0.0000669400000000, -0.0004329400000000 ] - [ 0.0000482500000000, -0.0000278600000000, -0.0006089400000000 ] - [ 0.0000000000000000, -0.0000576700000000, -0.0004866300000000 ] - [ 0.0000579700000000, -0.0000334700000000, -0.0004329400000000 ] - [ -0.0000579700000000, -0.0000334700000000, -0.0004329400000000 ] - [ -0.0000010800000000, 0.0000006200000000, -0.0008207000000000 ] - [ 0.0000010800000000, 0.0000006200000000, -0.0008207000000000 ] - [ 0.0000000000000000, -0.0000008200000000, -0.0008161500000000 ] - [ 0.0000007100000000, 0.0000004100000000, -0.0008161500000000 ] - [ 0.0000000000000000, 0.0000020300000000, -0.0008234500000000 ] - [ -0.0000007100000000, 0.0000004100000000, -0.0008161500000000 ] - [ 0.0000000000000000, -0.0000012400000000, -0.0008207000000000 ] - [ 0.0000017600000000, -0.0000010200000000, -0.0008234500000000 ] - [ -0.0000017600000000, -0.0000010200000000, -0.0008234500000000 ] - [ -0.0000006000000000, 0.0000003500000000, -0.0002156000000000 ] - [ 0.0000006000000000, 0.0000003500000000, -0.0002156000000000 ] - [ 0.0000000000000000, 0.0000007800000000, -0.0002153100000000 ] - [ -0.0000006800000000, -0.0000003900000000, -0.0002153100000000 ] - [ 0.0000000000000000, 0.0000001700000000, -0.0002159300000000 ] - [ 0.0000006800000000, -0.0000003900000000, -0.0002153100000000 ] - [ 0.0000000000000000, -0.0000007000000000, -0.0002156000000000 ] - [ 0.0000001500000000, -0.0000000900000000, -0.0002159300000000 ] - [ -0.0000001500000000, -0.0000000900000000, -0.0002159300000000 ]- atom: 46 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000952600000000, 0.0000000300000000, -0.0005889200000000 ] - [ -0.0000802400000000, 0.0000561700000000, -0.0004864800000000 ] - [ -0.0002000000000000, -0.0000540300000000, -0.0005574600000000 ] - [ 0.0000217500000000, 0.0000755500000000, -0.0005577100000000 ] - [ 0.0000841800000000, 0.0000268200000000, -0.0004879000000000 ] - [ -0.0000953600000000, -0.0000006400000000, -0.0004979100000000 ] - [ 0.0000454200000000, 0.0000121200000000, -0.0005678600000000 ] - [ -0.0000446000000000, 0.0000021300000000, -0.0004996800000000 ] - [ -0.0000138600000000, -0.0001162700000000, -0.0004768700000000 ] - [ -0.0000026900000000, -0.0000022800000000, 0.0001774800000000 ] - [ -0.0000024000000000, 0.0000315500000000, 0.0001794200000000 ] - [ 0.0000050300000000, -0.0000017000000000, 0.0001767500000000 ] - [ 0.0000008100000000, -0.0000372900000000, 0.0001746600000000 ] - [ 0.0000268900000000, -0.0000183100000000, 0.0001777400000000 ] - [ -0.0000271600000000, -0.0000131600000000, 0.0001811800000000 ] - [ -0.0000343700000000, 0.0000187500000000, 0.0001765400000000 ] - [ 0.0000300500000000, 0.0000184000000000, 0.0001729600000000 ] - [ 0.0000042700000000, 0.0000046100000000, 0.0001772300000000 ] - [ 0.0000433000000000, 0.0000368900000000, -0.0005697500000000 ] - [ -0.0001354400000000, 0.0000533800000000, -0.0005677100000000 ] - [ 0.0000675000000000, -0.0000504400000000, -0.0005912700000000 ] - [ 0.0001311000000000, -0.0000670000000000, -0.0005236900000000 ] - [ -0.0000182800000000, -0.0000296200000000, -0.0006251500000000 ] - [ -0.0001102900000000, -0.0000232500000000, -0.0005103900000000 ] - [ -0.0000150700000000, 0.0001363100000000, -0.0004352900000000 ] - [ 0.0001012300000000, -0.0000698500000000, -0.0006117200000000 ] - [ -0.0000586900000000, 0.0000138400000000, -0.0005804500000000 ] - [ -0.0000060600000000, -0.0000031300000000, -0.0005636400000000 ] - [ -0.0000002300000000, 0.0000329400000000, -0.0005713600000000 ] - [ 0.0000066100000000, -0.0000037100000000, -0.0005645800000000 ] - [ 0.0000008500000000, -0.0000406800000000, -0.0005423200000000 ] - [ 0.0000270900000000, -0.0000169800000000, -0.0005709200000000 ] - [ -0.0000294600000000, -0.0000158900000000, -0.0005716800000000 ] - [ -0.0000350100000000, 0.0000205200000000, -0.0005417000000000 ] - [ 0.0000352600000000, 0.0000200700000000, -0.0005431400000000 ] - [ -0.0000002000000000, 0.0000074000000000, -0.0005641400000000 ] - [ 0.0064435400000000, -0.0031167300000000, 0.0050444700000000 ] - [ -0.0012572700000000, 0.0000806000000000, -0.0004263800000000 ] - [ 0.0062086600000000, 0.0028994300000000, -0.0056104300000000 ] - [ 0.0011171600000000, -0.0001209500000000, -0.0004051300000000 ] - [ -0.0008118000000000, -0.0007971600000000, -0.0005086300000000 ] - [ -0.0009437700000000, 0.0007167100000000, -0.0003308400000000 ] - [ -0.0003084700000000, 0.0006536800000000, -0.0003332300000000 ] - [ -0.0001245700000000, -0.0005480700000000, -0.0004659300000000 ] - [ 0.0004333400000000, 0.0000112200000000, -0.0004295500000000 ] - [ -0.0281048400000000, 0.0001948400000000, -0.0006857400000000 ] - [ 0.0059046300000000, 0.0004207600000000, -0.0006614700000000 ] - [ 0.0058253200000000, -0.0004228800000000, -0.0001833500000000 ] - [ 0.0010294900000000, -0.0023658800000000, -0.0003512300000000 ] - [ 0.0010069000000000, 0.0023868500000000, -0.0004863700000000 ] - [ 0.0000581500000000, 0.0000106000000000, -0.0004188500000000 ] - [ 0.0010178600000000, -0.0032290300000000, -0.0005947000000000 ] - [ 0.0000582300000000, -0.0000103100000000, -0.0004205800000000 ] - [ 0.0010184100000000, 0.0032105900000000, -0.0002519100000000 ] - [ -0.0000015700000000, -0.0000001000000000, 0.0006409800000000 ] - [ 0.0000026600000000, -0.0000002400000000, 0.0006408400000000 ] - [ -0.0000018900000000, -0.0000002800000000, 0.0006424800000000 ] - [ -0.0000008600000000, 0.0000009100000000, 0.0006423500000000 ] - [ 0.0000011200000000, 0.0000028500000000, 0.0006408300000000 ] - [ 0.0000012400000000, -0.0000001400000000, 0.0006434100000000 ] - [ 0.0000006200000000, -0.0000031300000000, 0.0006384500000000 ] - [ 0.0000004300000000, -0.0000001300000000, 0.0006432500000000 ] - [ -0.0000018900000000, -0.0000009400000000, 0.0006446800000000 ] - [ 0.0004223500000000, -0.0002884800000000, 0.0005776200000000 ] - [ 0.0000923600000000, 0.0000085200000000, 0.0011211500000000 ] - [ 0.0004193400000000, 0.0002819600000000, 0.0016552700000000 ] - [ -0.0000731700000000, -0.0000113200000000, 0.0011199800000000 ] - [ 0.0000112500000000, 0.0000076700000000, 0.0010962500000000 ] - [ -0.0000025100000000, -0.0000154200000000, 0.0011465500000000 ] - [ 0.0000127600000000, -0.0000383200000000, 0.0011106000000000 ] - [ 0.0000264900000000, 0.0000457000000000, 0.0011222700000000 ] - [ -0.0000156500000000, 0.0000015600000000, 0.0011224800000000 ] - [ -0.0021985400000000, 0.0000071100000000, 0.0006145000000000 ] - [ -0.0003066400000000, 0.0000436200000000, 0.0005265600000000 ] - [ -0.0003191400000000, -0.0000408800000000, 0.0007079800000000 ] - [ 0.0016309600000000, -0.0021935000000000, -0.0029893400000000 ] - [ 0.0016367100000000, 0.0022318500000000, 0.0042509500000000 ] - [ 0.0003559400000000, 0.0000008000000000, 0.0006193500000000 ] - [ 0.0001419100000000, -0.0001362800000000, 0.0007437000000000 ] - [ -0.0002397300000000, 0.0000009200000000, 0.0006188800000000 ] - [ 0.0001305200000000, 0.0001174900000000, 0.0004934100000000 ] - [ -0.0000079500000000, -0.0000015100000000, -0.0004662800000000 ] - [ 0.0000101600000000, 0.0000214600000000, -0.0005049600000000 ] - [ 0.0000231200000000, -0.0000284200000000, -0.0004427000000000 ] - [ -0.0000215900000000, 0.0000047300000000, -0.0004769800000000 ] - [ -0.0000376900000000, 0.0000034900000000, -0.0004580100000000 ] - [ 0.0000367100000000, 0.0000073700000000, -0.0004734900000000 ] - [ -0.0000291700000000, -0.0000526300000000, -0.0005074500000000 ] - [ -0.0000143800000000, -0.0000088400000000, -0.0004681200000000 ] - [ -0.0000260100000000, 0.0000531300000000, -0.0004263200000000 ] - [ 0.0000231200000000, -0.0000001100000000, 0.0010056800000000 ] - [ -0.0000115300000000, -0.0000344200000000, 0.0010125600000000 ] - [ -0.0000277400000000, 0.0000338500000000, 0.0009820300000000 ] - [ -0.0000170100000000, 0.0000277800000000, 0.0009806300000000 ] - [ -0.0000091400000000, -0.0000140100000000, 0.0010141200000000 ] - [ 0.0000311600000000, -0.0000002100000000, 0.0009922900000000 ] - [ 0.0000463300000000, -0.0000006700000000, 0.0009599600000000 ] - [ -0.0000787500000000, -0.0000000500000000, 0.0009927900000000 ] - [ 0.0000380300000000, -0.0000133600000000, 0.0010347800000000 ] - [ 0.0000003700000000, -0.0000001400000000, 0.0012387500000000 ] - [ 0.0000031100000000, -0.0000005000000000, 0.0012339000000000 ] - [ -0.0000044000000000, -0.0000000200000000, 0.0012346000000000 ] - [ -0.0000015200000000, 0.0000031900000000, 0.0012344400000000 ] - [ 0.0000018900000000, 0.0000029700000000, 0.0012339600000000 ] - [ 0.0000006300000000, -0.0000001300000000, 0.0012301800000000 ] - [ 0.0000029400000000, -0.0000030000000000, 0.0012347600000000 ] - [ -0.0000011900000000, -0.0000001300000000, 0.0012305800000000 ] - [ -0.0000009100000000, -0.0000034300000000, 0.0012336100000000 ] - [ -0.0000315300000000, -0.0000008700000000, -0.0005945500000000 ] - [ 0.0000401200000000, -0.0000364200000000, -0.0005307900000000 ] - [ 0.0000536300000000, 0.0000292400000000, -0.0006444200000000 ] - [ -0.0000159000000000, -0.0000770500000000, -0.0007118800000000 ] - [ -0.0000296900000000, 0.0000854600000000, -0.0004735300000000 ] - [ 0.0000366400000000, 0.0000077900000000, -0.0005872700000000 ] - [ -0.0000309900000000, -0.0000025100000000, -0.0006570300000000 ] - [ -0.0000343000000000, -0.0000077300000000, -0.0005929600000000 ] - [ -0.0000288200000000, 0.0000040700000000, -0.0005322700000000 ] - [ -0.0000008700000000, 0.0000010100000000, -0.0009305500000000 ] - [ -0.0000022500000000, -0.0000018100000000, -0.0009237800000000 ] - [ 0.0000033900000000, -0.0000011500000000, -0.0009244600000000 ] - [ 0.0000013300000000, 0.0000011200000000, -0.0009288600000000 ] - [ -0.0000039400000000, 0.0000022000000000, -0.0009298500000000 ] - [ 0.0000023300000000, 0.0000033900000000, -0.0009241400000000 ] - [ 0.0000002000000000, -0.0000015200000000, -0.0009297400000000 ] - [ 0.0000003200000000, -0.0000029300000000, -0.0009293200000000 ] - [ -0.0000012900000000, 0.0000008600000000, -0.0009313000000000 ] - [ 0.0000004000000000, 0.0000014600000000, -0.0003235500000000 ] - [ -0.0000023900000000, -0.0000006300000000, -0.0003257500000000 ] - [ 0.0000025000000000, -0.0000019100000000, -0.0003247600000000 ] - [ 0.0000018800000000, 0.0000001400000000, -0.0003243700000000 ] - [ -0.0000001700000000, 0.0000013200000000, -0.0003236900000000 ] - [ -0.0000022400000000, 0.0000029700000000, -0.0003253200000000 ] - [ 0.0000005000000000, 0.0000001200000000, -0.0003243500000000 ] - [ 0.0000011200000000, -0.0000010600000000, -0.0003239800000000 ] - [ -0.0000017500000000, -0.0000012100000000, -0.0003227400000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0001282800000000, -0.0006360200000000 ] - [ 0.0003196300000000, -0.0001845400000000, -0.0006841300000000 ] - [ -0.0003196300000000, -0.0001845400000000, -0.0006841300000000 ] - [ -0.0001110900000000, 0.0000641400000000, -0.0006360200000000 ] - [ 0.0001110900000000, 0.0000641400000000, -0.0006360200000000 ] - [ 0.0000000000000000, 0.0000320900000000, -0.0005015600000000 ] - [ -0.0000277900000000, -0.0000160500000000, -0.0005015600000000 ] - [ 0.0000000000000000, 0.0003690800000000, -0.0006841300000000 ] - [ 0.0000277900000000, -0.0000160500000000, -0.0005015600000000 ] - [ -0.0000080200000000, 0.0000046300000000, 0.0000659100000000 ] - [ 0.0000000000000000, 0.0000190400000000, 0.0000659600000000 ] - [ 0.0000080200000000, 0.0000046300000000, 0.0000659100000000 ] - [ 0.0000000000000000, -0.0000092600000000, 0.0000659100000000 ] - [ 0.0000052100000000, 0.0000030100000000, 0.0000641700000000 ] - [ -0.0000052100000000, 0.0000030100000000, 0.0000641700000000 ] - [ -0.0000164900000000, -0.0000095200000000, 0.0000659600000000 ] - [ 0.0000164900000000, -0.0000095200000000, 0.0000659600000000 ] - [ 0.0000000000000000, -0.0000060200000000, 0.0000641700000000 ] - [ -0.0000557900000000, 0.0000322100000000, -0.0007000000000000 ] - [ 0.0000000000000000, 0.0001333900000000, -0.0006588900000000 ] - [ 0.0000557900000000, 0.0000322100000000, -0.0007000000000000 ] - [ 0.0000000000000000, -0.0000644200000000, -0.0007000000000000 ] - [ -0.0000230400000000, -0.0000133000000000, -0.0006541100000000 ] - [ 0.0000230400000000, -0.0000133000000000, -0.0006541100000000 ] - [ -0.0001155200000000, -0.0000666900000000, -0.0006588900000000 ] - [ 0.0001155200000000, -0.0000666900000000, -0.0006588900000000 ] - [ 0.0000000000000000, 0.0000266000000000, -0.0006541100000000 ] - [ -0.0000134900000000, 0.0000077900000000, -0.0006686300000000 ] - [ 0.0000000000000000, 0.0000239800000000, -0.0006643600000000 ] - [ 0.0000134900000000, 0.0000077900000000, -0.0006686300000000 ] - [ 0.0000000000000000, -0.0000155800000000, -0.0006686300000000 ] - [ 0.0000088500000000, 0.0000051100000000, -0.0006820100000000 ] - [ -0.0000088500000000, 0.0000051100000000, -0.0006820100000000 ] - [ -0.0000207700000000, -0.0000119900000000, -0.0006643600000000 ] - [ 0.0000207700000000, -0.0000119900000000, -0.0006643600000000 ] - [ 0.0000000000000000, -0.0000102200000000, -0.0006820100000000 ] - [ 0.0081402700000000, -0.0046997900000000, 0.0076862100000000 ] - [ 0.0000000000000000, -0.0000087300000000, 0.0002759300000000 ] - [ -0.0081402700000000, -0.0046997900000000, 0.0076862100000000 ] - [ 0.0000000000000000, 0.0093995700000000, 0.0076862100000000 ] - [ -0.0003545900000000, -0.0002047200000000, 0.0006739900000000 ] - [ 0.0003545900000000, -0.0002047200000000, 0.0006739900000000 ] - [ 0.0000075600000000, 0.0000043600000000, 0.0002759300000000 ] - [ -0.0000075600000000, 0.0000043600000000, 0.0002759300000000 ] - [ 0.0000000000000000, 0.0004094400000000, 0.0006739900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0372699300000000 ] - [ 0.0002266000000000, 0.0000534400000000, -0.0012568200000000 ] - [ -0.0002266000000000, 0.0000534400000000, -0.0012568200000000 ] - [ -0.0001595800000000, 0.0001695200000000, -0.0012568200000000 ] - [ 0.0001595800000000, 0.0001695200000000, -0.0012568200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005259700000000 ] - [ 0.0000670200000000, -0.0002229600000000, -0.0012568200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005267000000000 ] - [ -0.0000670200000000, -0.0002229600000000, -0.0012568200000000 ] - [ 0.0000000000000000, -0.0000030600000000, 0.0006959000000000 ] - [ -0.0000000200000000, 0.0000000100000000, 0.0006917100000000 ] - [ 0.0000000200000000, 0.0000000100000000, 0.0006917100000000 ] - [ -0.0000026500000000, 0.0000015300000000, 0.0006959000000000 ] - [ 0.0000026500000000, 0.0000015300000000, 0.0006959000000000 ] - [ 0.0000000000000000, -0.0000012900000000, 0.0006998300000000 ] - [ 0.0000011100000000, 0.0000006400000000, 0.0006998300000000 ] - [ 0.0000000000000000, -0.0000000200000000, 0.0006917100000000 ] - [ -0.0000011100000000, 0.0000006400000000, 0.0006998300000000 ] - [ -0.0007189500000000, 0.0004150800000000, 0.0018747300000000 ] - [ 0.0000000000000000, -0.0000352300000000, 0.0010504000000000 ] - [ 0.0007189500000000, 0.0004150800000000, 0.0018747300000000 ] - [ 0.0000000000000000, -0.0008301700000000, 0.0018747300000000 ] - [ -0.0000168200000000, -0.0000097100000000, 0.0011068400000000 ] - [ 0.0000168200000000, -0.0000097100000000, 0.0011068400000000 ] - [ 0.0000305100000000, 0.0000176200000000, 0.0010504000000000 ] - [ -0.0000305100000000, 0.0000176200000000, 0.0010504000000000 ] - [ 0.0000000000000000, 0.0000194200000000, 0.0011068400000000 ] - [ 0.0000000000000000, -0.0042520500000000, 0.0048123100000000 ] - [ -0.0000876700000000, 0.0000506200000000, 0.0002818200000000 ] - [ 0.0000876700000000, 0.0000506200000000, 0.0002818200000000 ] - [ -0.0036823900000000, 0.0021260300000000, 0.0048123100000000 ] - [ 0.0036823900000000, 0.0021260300000000, 0.0048123100000000 ] - [ 0.0000000000000000, -0.0001485200000000, 0.0002874500000000 ] - [ 0.0001286200000000, 0.0000742600000000, 0.0002874500000000 ] - [ 0.0000000000000000, -0.0001012300000000, 0.0002818200000000 ] - [ -0.0001286200000000, 0.0000742600000000, 0.0002874500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004330800000000 ] - [ -0.0000507700000000, -0.0001108700000000, -0.0003742000000000 ] - [ 0.0000507700000000, -0.0001108700000000, -0.0003742000000000 ] - [ 0.0001214000000000, 0.0000114700000000, -0.0003742000000000 ] - [ -0.0001214000000000, 0.0000114700000000, -0.0003742000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004708600000000 ] - [ 0.0000706300000000, 0.0000994000000000, -0.0003742000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005062000000000 ] - [ -0.0000706300000000, 0.0000994000000000, -0.0003742000000000 ] - [ 0.0000000000000000, -0.0000238900000000, 0.0010553700000000 ] - [ 0.0000201200000000, -0.0000116200000000, 0.0010507100000000 ] - [ -0.0000201200000000, -0.0000116200000000, 0.0010507100000000 ] - [ -0.0000206900000000, 0.0000119500000000, 0.0010553700000000 ] - [ 0.0000206900000000, 0.0000119500000000, 0.0010553700000000 ] - [ 0.0000000000000000, 0.0000426500000000, 0.0010492100000000 ] - [ -0.0000369300000000, -0.0000213200000000, 0.0010492100000000 ] - [ 0.0000000000000000, 0.0000232400000000, 0.0010507100000000 ] - [ 0.0000369300000000, -0.0000213200000000, 0.0010492100000000 ] - [ 0.0000000000000000, -0.0000017100000000, 0.0012892700000000 ] - [ 0.0000014800000000, -0.0000008600000000, 0.0012870700000000 ] - [ -0.0000014800000000, -0.0000008600000000, 0.0012870700000000 ] - [ -0.0000014800000000, 0.0000008600000000, 0.0012892700000000 ] - [ 0.0000014800000000, 0.0000008600000000, 0.0012892700000000 ] - [ 0.0000000000000000, -0.0000005300000000, 0.0012873000000000 ] - [ 0.0000004600000000, 0.0000002600000000, 0.0012873000000000 ] - [ 0.0000000000000000, 0.0000017100000000, 0.0012870700000000 ] - [ -0.0000004600000000, 0.0000002600000000, 0.0012873000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005549300000000 ] - [ 0.0000536500000000, -0.0000370800000000, -0.0004976000000000 ] - [ -0.0000536500000000, -0.0000370800000000, -0.0004976000000000 ] - [ 0.0000052900000000, 0.0000650000000000, -0.0004976000000000 ] - [ -0.0000052900000000, 0.0000650000000000, -0.0004976000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005878200000000 ] - [ 0.0000589400000000, -0.0000279200000000, -0.0004976000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006343900000000 ] - [ -0.0000589400000000, -0.0000279200000000, -0.0004976000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008727400000000 ] - [ -0.0000001900000000, -0.0000017600000000, -0.0008705600000000 ] - [ 0.0000001900000000, -0.0000017600000000, -0.0008705600000000 ] - [ 0.0000016200000000, 0.0000007100000000, -0.0008705600000000 ] - [ -0.0000016200000000, 0.0000007100000000, -0.0008705600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008624300000000 ] - [ 0.0000014300000000, 0.0000010500000000, -0.0008705600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008709500000000 ] - [ -0.0000014300000000, 0.0000010500000000, -0.0008705600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002629500000000 ] - [ -0.0000003800000000, 0.0000007300000000, -0.0002667400000000 ] - [ 0.0000003800000000, 0.0000007300000000, -0.0002667400000000 ] - [ -0.0000004400000000, -0.0000006900000000, -0.0002667400000000 ] - [ 0.0000004400000000, -0.0000006900000000, -0.0002667400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002648300000000 ] - [ -0.0000008200000000, -0.0000000300000000, -0.0002667400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002678700000000 ] - [ 0.0000008200000000, -0.0000000300000000, -0.0002667400000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000612300000000, -0.0004501000000000 ] - [ -0.0002670300000000, 0.0001541700000000, -0.0003397600000000 ] - [ 0.0002670300000000, 0.0001541700000000, -0.0003397600000000 ] - [ 0.0000530300000000, -0.0000306200000000, -0.0004501000000000 ] - [ -0.0000530300000000, -0.0000306200000000, -0.0004501000000000 ] - [ 0.0000000000000000, -0.0000330700000000, -0.0005268600000000 ] - [ 0.0000286400000000, 0.0000165300000000, -0.0005268600000000 ] - [ 0.0000000000000000, -0.0003083400000000, -0.0003397600000000 ] - [ -0.0000286400000000, 0.0000165300000000, -0.0005268600000000 ] - [ -0.0000163400000000, 0.0000094300000000, 0.0002875200000000 ] - [ 0.0000000000000000, 0.0000268100000000, 0.0002874600000000 ] - [ 0.0000163400000000, 0.0000094300000000, 0.0002875200000000 ] - [ 0.0000000000000000, -0.0000188700000000, 0.0002875200000000 ] - [ 0.0000102300000000, 0.0000059100000000, 0.0002941300000000 ] - [ -0.0000102300000000, 0.0000059100000000, 0.0002941300000000 ] - [ -0.0000232200000000, -0.0000134100000000, 0.0002874600000000 ] - [ 0.0000232200000000, -0.0000134100000000, 0.0002874600000000 ] - [ 0.0000000000000000, -0.0000118100000000, 0.0002941300000000 ] - [ 0.0000089400000000, -0.0000051600000000, -0.0004233200000000 ] - [ 0.0000000000000000, -0.0000524800000000, -0.0004177400000000 ] - [ -0.0000089400000000, -0.0000051600000000, -0.0004233200000000 ] - [ 0.0000000000000000, 0.0000103300000000, -0.0004233200000000 ] - [ 0.0000457100000000, 0.0000263900000000, -0.0004899000000000 ] - [ -0.0000457100000000, 0.0000263900000000, -0.0004899000000000 ] - [ 0.0000454500000000, 0.0000262400000000, -0.0004177400000000 ] - [ -0.0000454500000000, 0.0000262400000000, -0.0004177400000000 ] - [ 0.0000000000000000, -0.0000527800000000, -0.0004899000000000 ] - [ -0.0000143900000000, 0.0000083100000000, -0.0004451800000000 ] - [ 0.0000000000000000, 0.0000250500000000, -0.0004399500000000 ] - [ 0.0000143900000000, 0.0000083100000000, -0.0004451800000000 ] - [ 0.0000000000000000, -0.0000166200000000, -0.0004451800000000 ] - [ 0.0000057300000000, 0.0000033100000000, -0.0004559800000000 ] - [ -0.0000057300000000, 0.0000033100000000, -0.0004559800000000 ] - [ -0.0000216900000000, -0.0000125300000000, -0.0004399500000000 ] - [ 0.0000216900000000, -0.0000125300000000, -0.0004399500000000 ] - [ 0.0000000000000000, -0.0000066200000000, -0.0004559800000000 ] - [ -0.0079653800000000, 0.0045988100000000, -0.0084253800000000 ] - [ 0.0000000000000000, 0.0001300100000000, -0.0010852300000000 ] - [ 0.0079653800000000, 0.0045988100000000, -0.0084253800000000 ] - [ 0.0000000000000000, -0.0091976200000000, -0.0084253800000000 ] - [ 0.0003925000000000, 0.0002266100000000, -0.0015125900000000 ] - [ -0.0003925000000000, 0.0002266100000000, -0.0015125900000000 ] - [ -0.0001125900000000, -0.0000650100000000, -0.0010852300000000 ] - [ 0.0001125900000000, -0.0000650100000000, -0.0010852300000000 ] - [ 0.0000000000000000, -0.0004532200000000, -0.0015125900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0359914500000000 ] - [ -0.0002512700000000, -0.0000663500000000, 0.0004210200000000 ] - [ 0.0002512700000000, -0.0000663500000000, 0.0004210200000000 ] - [ 0.0001831000000000, -0.0001844300000000, 0.0004210200000000 ] - [ -0.0001831000000000, -0.0001844300000000, 0.0004210200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003122000000000 ] - [ -0.0000681700000000, 0.0002507800000000, 0.0004210200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003129200000000 ] - [ 0.0000681700000000, 0.0002507800000000, 0.0004210200000000 ] - [ 0.0000000000000000, 0.0000006100000000, 0.0005841200000000 ] - [ 0.0000023800000000, -0.0000013700000000, 0.0005899700000000 ] - [ -0.0000023800000000, -0.0000013700000000, 0.0005899700000000 ] - [ 0.0000005200000000, -0.0000003000000000, 0.0005841200000000 ] - [ -0.0000005200000000, -0.0000003000000000, 0.0005841200000000 ] - [ 0.0000000000000000, 0.0000010900000000, 0.0005817300000000 ] - [ -0.0000009500000000, -0.0000005500000000, 0.0005817300000000 ] - [ 0.0000000000000000, 0.0000027500000000, 0.0005899700000000 ] - [ 0.0000009500000000, -0.0000005500000000, 0.0005817300000000 ] - [ 0.0007362700000000, -0.0004250800000000, 0.0003394900000000 ] - [ 0.0000000000000000, 0.0000474400000000, 0.0011856900000000 ] - [ -0.0007362700000000, -0.0004250800000000, 0.0003394900000000 ] - [ 0.0000000000000000, 0.0008501700000000, 0.0003394900000000 ] - [ 0.0000210900000000, 0.0000121800000000, 0.0011356500000000 ] - [ -0.0000210900000000, 0.0000121800000000, 0.0011356500000000 ] - [ -0.0000410800000000, -0.0000237200000000, 0.0011856900000000 ] - [ 0.0000410800000000, -0.0000237200000000, 0.0011856900000000 ] - [ 0.0000000000000000, -0.0000243500000000, 0.0011356500000000 ] - [ 0.0000000000000000, 0.0041808600000000, -0.0035134400000000 ] - [ 0.0000957800000000, -0.0000553000000000, 0.0009534800000000 ] - [ -0.0000957800000000, -0.0000553000000000, 0.0009534800000000 ] - [ 0.0036207300000000, -0.0020904300000000, -0.0035134400000000 ] - [ -0.0036207300000000, -0.0020904300000000, -0.0035134400000000 ] - [ 0.0000000000000000, 0.0001482700000000, 0.0009478900000000 ] - [ -0.0001284100000000, -0.0000741400000000, 0.0009478900000000 ] - [ 0.0000000000000000, 0.0001106000000000, 0.0009534800000000 ] - [ 0.0001284100000000, -0.0000741400000000, 0.0009478900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004980200000000 ] - [ 0.0000468300000000, 0.0001062300000000, -0.0005646300000000 ] - [ -0.0000468300000000, 0.0001062300000000, -0.0005646300000000 ] - [ -0.0001154100000000, -0.0000125600000000, -0.0005646300000000 ] - [ 0.0001154100000000, -0.0000125600000000, -0.0005646300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004734300000000 ] - [ -0.0000685800000000, -0.0000936700000000, -0.0005646300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004262300000000 ] - [ 0.0000685800000000, -0.0000936700000000, -0.0005646300000000 ] - [ 0.0000000000000000, 0.0000146700000000, 0.0009426000000000 ] - [ -0.0000118400000000, 0.0000068300000000, 0.0009387100000000 ] - [ 0.0000118400000000, 0.0000068300000000, 0.0009387100000000 ] - [ 0.0000127000000000, -0.0000073300000000, 0.0009426000000000 ] - [ -0.0000127000000000, -0.0000073300000000, 0.0009426000000000 ] - [ 0.0000000000000000, -0.0000427500000000, 0.0009399800000000 ] - [ 0.0000370300000000, 0.0000213800000000, 0.0009399800000000 ] - [ 0.0000000000000000, -0.0000136700000000, 0.0009387100000000 ] - [ -0.0000370300000000, 0.0000213800000000, 0.0009399800000000 ] - [ 0.0000000000000000, -0.0000024100000000, 0.0011794000000000 ] - [ 0.0000022400000000, -0.0000012900000000, 0.0011762000000000 ] - [ -0.0000022400000000, -0.0000012900000000, 0.0011762000000000 ] - [ -0.0000020800000000, 0.0000012000000000, 0.0011794000000000 ] - [ 0.0000020800000000, 0.0000012000000000, 0.0011794000000000 ] - [ 0.0000000000000000, 0.0000003400000000, 0.0011756500000000 ] - [ -0.0000002900000000, -0.0000001700000000, 0.0011756500000000 ] - [ 0.0000000000000000, 0.0000025900000000, 0.0011762000000000 ] - [ 0.0000002900000000, -0.0000001700000000, 0.0011756500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006328100000000 ] - [ -0.0000585900000000, 0.0000294800000000, -0.0006839100000000 ] - [ 0.0000585900000000, 0.0000294800000000, -0.0006839100000000 ] - [ 0.0000037600000000, -0.0000654800000000, -0.0006839100000000 ] - [ -0.0000037600000000, -0.0000654800000000, -0.0006839100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005853100000000 ] - [ -0.0000548300000000, 0.0000360000000000, -0.0006839100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005502600000000 ] - [ 0.0000548300000000, 0.0000360000000000, -0.0006839100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009863300000000 ] - [ -0.0000011900000000, -0.0000016300000000, -0.0009833500000000 ] - [ 0.0000011900000000, -0.0000016300000000, -0.0009833500000000 ] - [ 0.0000020100000000, -0.0000002100000000, -0.0009833500000000 ] - [ -0.0000020100000000, -0.0000002100000000, -0.0009833500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009836500000000 ] - [ 0.0000008200000000, 0.0000018400000000, -0.0009833500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009855800000000 ] - [ -0.0000008200000000, 0.0000018400000000, -0.0009833500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003821300000000 ] - [ -0.0000005000000000, -0.0000029400000000, -0.0003797300000000 ] - [ 0.0000005000000000, -0.0000029400000000, -0.0003797300000000 ] - [ 0.0000028000000000, 0.0000010300000000, -0.0003797300000000 ] - [ -0.0000028000000000, 0.0000010300000000, -0.0003797300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003837600000000 ] - [ 0.0000022900000000, 0.0000019000000000, -0.0003797300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003779400000000 ] - [ -0.0000022900000000, 0.0000019000000000, -0.0003797300000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001481300000000, 0.0000005500000000, -0.0005889400000000 ] - [ -0.0000697100000000, -0.0000407000000000, -0.0005891000000000 ] - [ -0.0001909500000000, 0.0000405500000000, -0.0004556000000000 ] - [ 0.0000246100000000, 0.0000826600000000, -0.0005138500000000 ] - [ 0.0000839700000000, 0.0000203400000000, -0.0005319400000000 ] - [ -0.0000993800000000, -0.0000004500000000, -0.0004979000000000 ] - [ 0.0000543900000000, 0.0001133000000000, -0.0005801700000000 ] - [ -0.0000183500000000, 0.0000007800000000, -0.0004986200000000 ] - [ -0.0000060700000000, -0.0002159600000000, -0.0004647500000000 ] - [ 0.0065357300000000, 0.0031487000000000, -0.0053955500000000 ] - [ -0.0012320100000000, 0.0000256600000000, 0.0001875700000000 ] - [ 0.0062874000000000, -0.0029474900000000, 0.0054617800000000 ] - [ 0.0004310600000000, -0.0000355800000000, 0.0001771700000000 ] - [ -0.0001880200000000, -0.0006027700000000, 0.0001211500000000 ] - [ -0.0002425900000000, 0.0005713300000000, 0.0002404500000000 ] - [ -0.0009068600000000, 0.0007765000000000, 0.0002563700000000 ] - [ -0.0008464300000000, -0.0007334000000000, 0.0000967500000000 ] - [ 0.0011332200000000, 0.0000170100000000, 0.0001834400000000 ] - [ -0.0000117600000000, -0.0000070600000000, -0.0005814300000000 ] - [ -0.0000001700000000, 0.0000533600000000, -0.0005681300000000 ] - [ 0.0000124600000000, -0.0000067400000000, -0.0005805500000000 ] - [ 0.0000001600000000, -0.0000672400000000, -0.0005240000000000 ] - [ 0.0000460500000000, -0.0000266800000000, -0.0005687600000000 ] - [ -0.0000460700000000, -0.0000265300000000, -0.0005672800000000 ] - [ -0.0000592300000000, 0.0000342600000000, -0.0005242800000000 ] - [ 0.0000573200000000, 0.0000329400000000, -0.0005237000000000 ] - [ 0.0000005900000000, 0.0000140500000000, -0.0005809400000000 ] - [ 0.0000499000000000, -0.0000464400000000, -0.0005743600000000 ] - [ -0.0001377200000000, 0.0000329200000000, -0.0005717800000000 ] - [ 0.0000625200000000, 0.0000393500000000, -0.0005547400000000 ] - [ -0.0000567200000000, -0.0000404300000000, -0.0005427700000000 ] - [ 0.0000699500000000, -0.0001196100000000, -0.0006594000000000 ] - [ 0.0000131800000000, 0.0000874400000000, -0.0004841500000000 ] - [ -0.0000990100000000, 0.0000242800000000, -0.0004848100000000 ] - [ -0.0000287100000000, 0.0000159700000000, -0.0006005400000000 ] - [ 0.0001304500000000, 0.0000071600000000, -0.0005644500000000 ] - [ -0.0000106600000000, -0.0000071400000000, -0.0004284400000000 ] - [ -0.0000017700000000, 0.0000744700000000, -0.0004179800000000 ] - [ 0.0000125000000000, -0.0000057500000000, -0.0004255300000000 ] - [ -0.0000014600000000, -0.0001067000000000, -0.0003980500000000 ] - [ 0.0000651100000000, -0.0000387300000000, -0.0004180200000000 ] - [ -0.0000634000000000, -0.0000357500000000, -0.0004179100000000 ] - [ -0.0000928400000000, 0.0000527500000000, -0.0003990100000000 ] - [ 0.0000918200000000, 0.0000537900000000, -0.0003971900000000 ] - [ 0.0000020400000000, 0.0000134200000000, -0.0004270600000000 ] - [ -0.0000019200000000, -0.0000014900000000, -0.0004207400000000 ] - [ -0.0000087200000000, -0.0000049300000000, -0.0004184000000000 ] - [ 0.0000087700000000, -0.0000048900000000, -0.0004205000000000 ] - [ 0.0000073300000000, 0.0000038900000000, -0.0004198900000000 ] - [ -0.0000093700000000, 0.0000059800000000, -0.0004219600000000 ] - [ 0.0000000700000000, 0.0000102000000000, -0.0004194400000000 ] - [ -0.0000016800000000, -0.0000000500000000, -0.0004223400000000 ] - [ 0.0000008300000000, -0.0000095400000000, -0.0004209200000000 ] - [ 0.0000011300000000, 0.0000018800000000, -0.0004190500000000 ] - [ -0.0285047400000000, -0.0001844200000000, 0.0009028900000000 ] - [ 0.0058399800000000, -0.0003991200000000, 0.0008682100000000 ] - [ 0.0057398500000000, 0.0003906400000000, 0.0004212800000000 ] - [ 0.0010094900000000, -0.0031415700000000, 0.0004991800000000 ] - [ 0.0010134300000000, 0.0031654100000000, 0.0007895300000000 ] - [ 0.0000549400000000, 0.0000005900000000, 0.0006430800000000 ] - [ 0.0010094600000000, -0.0023707500000000, 0.0007182100000000 ] - [ 0.0000548200000000, -0.0000003700000000, 0.0006428300000000 ] - [ 0.0010134800000000, 0.0023568200000000, 0.0005617300000000 ] - [ -0.0000263800000000, 0.0000285000000000, 0.0011482100000000 ] - [ 0.0000167900000000, 0.0000086300000000, 0.0011214700000000 ] - [ -0.0000241400000000, -0.0000299100000000, 0.0010972000000000 ] - [ 0.0000136100000000, -0.0000078200000000, 0.0011166000000000 ] - [ 0.0000051100000000, 0.0000069900000000, 0.0011521300000000 ] - [ -0.0000094000000000, -0.0000148700000000, 0.0010905300000000 ] - [ 0.0000860900000000, -0.0000417300000000, 0.0011824400000000 ] - [ 0.0001000800000000, 0.0000500500000000, 0.0010513300000000 ] - [ -0.0000758300000000, 0.0000016700000000, 0.0011229100000000 ] - [ 0.0000007900000000, -0.0000001200000000, 0.0006209800000000 ] - [ 0.0000114700000000, -0.0000013000000000, 0.0006187400000000 ] - [ -0.0000099100000000, 0.0000002300000000, 0.0006185800000000 ] - [ -0.0000049500000000, 0.0000085900000000, 0.0006195300000000 ] - [ 0.0000050500000000, 0.0000099800000000, 0.0006177300000000 ] - [ 0.0000011600000000, -0.0000001600000000, 0.0006180500000000 ] - [ 0.0000061700000000, -0.0000091100000000, 0.0006196300000000 ] - [ 0.0000003200000000, -0.0000001400000000, 0.0006179800000000 ] - [ -0.0000052100000000, -0.0000093100000000, 0.0006176300000000 ] - [ -0.0000728100000000, -0.0000020600000000, -0.0004662900000000 ] - [ -0.0000016100000000, 0.0000073500000000, -0.0004546900000000 ] - [ 0.0000114000000000, -0.0000153200000000, -0.0004925700000000 ] - [ 0.0000268500000000, -0.0000372800000000, -0.0005035600000000 ] - [ 0.0000124300000000, 0.0000454200000000, -0.0004330100000000 ] - [ -0.0000147500000000, 0.0000072700000000, -0.0004737500000000 ] - [ 0.0004182300000000, -0.0002856600000000, 0.0002625100000000 ] - [ 0.0000912600000000, -0.0000087300000000, -0.0004676800000000 ] - [ 0.0004166800000000, 0.0002805300000000, -0.0011830200000000 ] - [ -0.0000005000000000, -0.0000001100000000, 0.0010060500000000 ] - [ 0.0000092200000000, 0.0000000500000000, 0.0009972400000000 ] - [ -0.0000070300000000, -0.0000005200000000, 0.0009981100000000 ] - [ -0.0000040800000000, 0.0000056400000000, 0.0009985200000000 ] - [ 0.0000038300000000, 0.0000081400000000, 0.0009967900000000 ] - [ 0.0000007300000000, -0.0000001900000000, 0.0009925600000000 ] - [ 0.0000033100000000, -0.0000077000000000, 0.0009980700000000 ] - [ 0.0000028800000000, -0.0000001300000000, 0.0009929700000000 ] - [ -0.0000049900000000, -0.0000065400000000, 0.0009971300000000 ] - [ -0.0000308300000000, -0.0000001100000000, 0.0012390600000000 ] - [ 0.0000522300000000, 0.0000329800000000, 0.0011767300000000 ] - [ 0.0000453200000000, -0.0000336800000000, 0.0012926000000000 ] - [ -0.0000293600000000, -0.0000009900000000, 0.0011753900000000 ] - [ -0.0000263300000000, 0.0000068400000000, 0.0012940300000000 ] - [ -0.0000328200000000, -0.0000002700000000, 0.0012305300000000 ] - [ -0.0000198500000000, -0.0000844100000000, 0.0011170200000000 ] - [ 0.0000370200000000, -0.0000002200000000, 0.0012306500000000 ] - [ -0.0000237300000000, 0.0000777200000000, 0.0013515300000000 ] - [ 0.0000000900000000, -0.0000008600000000, -0.0005943400000000 ] - [ -0.0000075200000000, -0.0000033600000000, -0.0005871700000000 ] - [ 0.0000054400000000, -0.0000039800000000, -0.0005875400000000 ] - [ 0.0000076800000000, 0.0000044000000000, -0.0005921500000000 ] - [ -0.0000061700000000, 0.0000037500000000, -0.0005933800000000 ] - [ -0.0000016900000000, 0.0000077000000000, -0.0005873400000000 ] - [ -0.0000010900000000, 0.0000007900000000, -0.0005939300000000 ] - [ 0.0000002200000000, -0.0000078700000000, -0.0005927100000000 ] - [ 0.0000006500000000, 0.0000004600000000, -0.0005945400000000 ] - [ 0.0000223100000000, 0.0000010000000000, -0.0009303800000000 ] - [ -0.0000226500000000, 0.0000327100000000, -0.0009399200000000 ] - [ -0.0000169500000000, -0.0000355900000000, -0.0009078800000000 ] - [ 0.0000441400000000, 0.0000075700000000, -0.0009661700000000 ] - [ 0.0000388900000000, -0.0000044800000000, -0.0008923500000000 ] - [ -0.0000789500000000, 0.0000033200000000, -0.0009240900000000 ] - [ -0.0000129200000000, 0.0000204400000000, -0.0009472500000000 ] - [ 0.0000310700000000, -0.0000028900000000, -0.0009291500000000 ] - [ -0.0000143600000000, -0.0000210600000000, -0.0009135700000000 ] - [ -0.0021453100000000, -0.0000049000000000, -0.0003181200000000 ] - [ -0.0003127800000000, -0.0000425900000000, -0.0002326700000000 ] - [ -0.0002993400000000, 0.0000361900000000, -0.0004155400000000 ] - [ 0.0001283700000000, -0.0001226500000000, -0.0001962400000000 ] - [ 0.0001266300000000, 0.0001246400000000, -0.0004519200000000 ] - [ -0.0002378900000000, 0.0000017500000000, -0.0003264000000000 ] - [ 0.0016618800000000, -0.0022098200000000, -0.0039916800000000 ] - [ 0.0003416200000000, -0.0000018700000000, -0.0003255300000000 ] - [ 0.0016652900000000, 0.0021883900000000, 0.0033206800000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0008271700000000 ] - [ -0.0001491300000000, -0.0001435600000000, -0.0005967000000000 ] - [ 0.0001491300000000, -0.0001435600000000, -0.0005967000000000 ] - [ 0.0001988900000000, -0.0000573700000000, -0.0005967000000000 ] - [ -0.0001988900000000, -0.0000573700000000, -0.0005967000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005569700000000 ] - [ 0.0000497600000000, 0.0002009300000000, -0.0005967000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004147300000000 ] - [ -0.0000497600000000, 0.0002009300000000, -0.0005967000000000 ] - [ -0.0079381900000000, -0.0045831200000000, 0.0082027300000000 ] - [ 0.0000000000000000, -0.0000540700000000, 0.0008582700000000 ] - [ 0.0079381900000000, -0.0045831200000000, 0.0082027300000000 ] - [ 0.0000000000000000, 0.0004071100000000, 0.0012752700000000 ] - [ -0.0000468300000000, 0.0000270400000000, 0.0008582700000000 ] - [ 0.0000468300000000, 0.0000270400000000, 0.0008582700000000 ] - [ 0.0003525700000000, -0.0002035600000000, 0.0012752700000000 ] - [ -0.0003525700000000, -0.0002035600000000, 0.0012752700000000 ] - [ 0.0000000000000000, 0.0091662300000000, 0.0082027300000000 ] - [ -0.0000124800000000, -0.0000072100000000, -0.0006923300000000 ] - [ 0.0000000000000000, 0.0000528800000000, -0.0006797600000000 ] - [ 0.0000124800000000, -0.0000072100000000, -0.0006923300000000 ] - [ 0.0000000000000000, -0.0000690900000000, -0.0006365300000000 ] - [ 0.0000458000000000, -0.0000264400000000, -0.0006797600000000 ] - [ -0.0000458000000000, -0.0000264400000000, -0.0006797600000000 ] - [ -0.0000598300000000, 0.0000345500000000, -0.0006365300000000 ] - [ 0.0000598300000000, 0.0000345500000000, -0.0006365300000000 ] - [ 0.0000000000000000, 0.0000144200000000, -0.0006923300000000 ] - [ 0.0000268000000000, 0.0000154700000000, -0.0007024400000000 ] - [ 0.0000000000000000, 0.0001253000000000, -0.0006922000000000 ] - [ -0.0000268000000000, 0.0000154700000000, -0.0007024400000000 ] - [ 0.0000000000000000, -0.0000004300000000, -0.0006243800000000 ] - [ 0.0001085200000000, -0.0000626500000000, -0.0006922000000000 ] - [ -0.0001085200000000, -0.0000626500000000, -0.0006922000000000 ] - [ -0.0000003700000000, 0.0000002100000000, -0.0006243800000000 ] - [ 0.0000003700000000, 0.0000002100000000, -0.0006243800000000 ] - [ 0.0000000000000000, -0.0000309400000000, -0.0007024400000000 ] - [ -0.0000156800000000, -0.0000090600000000, -0.0005363500000000 ] - [ 0.0000000000000000, 0.0000672000000000, -0.0005274500000000 ] - [ 0.0000156800000000, -0.0000090600000000, -0.0005363500000000 ] - [ 0.0000000000000000, -0.0001068600000000, -0.0005117600000000 ] - [ 0.0000581900000000, -0.0000336000000000, -0.0005274500000000 ] - [ -0.0000581900000000, -0.0000336000000000, -0.0005274500000000 ] - [ -0.0000925400000000, 0.0000534300000000, -0.0005117600000000 ] - [ 0.0000925400000000, 0.0000534300000000, -0.0005117600000000 ] - [ 0.0000000000000000, 0.0000181100000000, -0.0005363500000000 ] - [ 0.0000000000000000, -0.0000008100000000, -0.0003636900000000 ] - [ -0.0000078600000000, -0.0000045400000000, -0.0003674200000000 ] - [ 0.0000078600000000, -0.0000045400000000, -0.0003674200000000 ] - [ 0.0000052700000000, 0.0000030400000000, -0.0003606600000000 ] - [ -0.0000052700000000, 0.0000030400000000, -0.0003606600000000 ] - [ 0.0000000000000000, 0.0000090800000000, -0.0003674200000000 ] - [ -0.0000007000000000, 0.0000004100000000, -0.0003636900000000 ] - [ 0.0000000000000000, -0.0000060800000000, -0.0003606600000000 ] - [ 0.0000007000000000, 0.0000004100000000, -0.0003636900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0357722600000000 ] - [ -0.0002298800000000, 0.0000401200000000, -0.0002192800000000 ] - [ 0.0002298800000000, 0.0000401200000000, -0.0002192800000000 ] - [ 0.0000801900000000, -0.0002191400000000, -0.0002192800000000 ] - [ -0.0000801900000000, -0.0002191400000000, -0.0002192800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005299200000000 ] - [ -0.0001496800000000, 0.0001790200000000, -0.0002192800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005304600000000 ] - [ 0.0001496800000000, 0.0001790200000000, -0.0002192800000000 ] - [ -0.0000029600000000, -0.0000017100000000, 0.0011758900000000 ] - [ 0.0000000000000000, 0.0000043700000000, 0.0011097600000000 ] - [ 0.0000029600000000, -0.0000017100000000, 0.0011758900000000 ] - [ 0.0000000000000000, 0.0001484400000000, 0.0012493200000000 ] - [ 0.0000037900000000, -0.0000021900000000, 0.0011097600000000 ] - [ -0.0000037900000000, -0.0000021900000000, 0.0011097600000000 ] - [ 0.0001285600000000, -0.0000742200000000, 0.0012493200000000 ] - [ -0.0001285600000000, -0.0000742200000000, 0.0012493200000000 ] - [ 0.0000000000000000, 0.0000034200000000, 0.0011758900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006772200000000 ] - [ 0.0000096400000000, 0.0000015900000000, 0.0006739300000000 ] - [ -0.0000096400000000, 0.0000015900000000, 0.0006739300000000 ] - [ -0.0000062000000000, 0.0000075600000000, 0.0006739300000000 ] - [ 0.0000062000000000, 0.0000075600000000, 0.0006739300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006711800000000 ] - [ 0.0000034500000000, -0.0000091400000000, 0.0006739300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006720000000000 ] - [ -0.0000034500000000, -0.0000091400000000, 0.0006739300000000 ] - [ 0.0000000000000000, 0.0006265100000000, 0.0003115100000000 ] - [ 0.0000189700000000, 0.0000109500000000, -0.0004872400000000 ] - [ -0.0000189700000000, 0.0000109500000000, -0.0004872400000000 ] - [ 0.0000131200000000, 0.0000075700000000, -0.0005346200000000 ] - [ -0.0000131200000000, 0.0000075700000000, -0.0005346200000000 ] - [ 0.0000000000000000, -0.0000219000000000, -0.0004872400000000 ] - [ 0.0005425700000000, -0.0003132600000000, 0.0003115100000000 ] - [ 0.0000000000000000, -0.0000151500000000, -0.0005346200000000 ] - [ -0.0005425700000000, -0.0003132600000000, 0.0003115100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010607200000000 ] - [ 0.0000076400000000, -0.0000001900000000, 0.0010519300000000 ] - [ -0.0000076400000000, -0.0000001900000000, 0.0010519300000000 ] - [ -0.0000036600000000, 0.0000067100000000, 0.0010519300000000 ] - [ 0.0000036600000000, 0.0000067100000000, 0.0010519300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010478300000000 ] - [ 0.0000039800000000, -0.0000065200000000, 0.0010519300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010513800000000 ] - [ -0.0000039800000000, -0.0000065200000000, 0.0010519300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012771100000000 ] - [ -0.0000525600000000, -0.0000332700000000, 0.0013239500000000 ] - [ 0.0000525600000000, -0.0000332700000000, 0.0013239500000000 ] - [ 0.0000550900000000, -0.0000288800000000, 0.0013239500000000 ] - [ -0.0000550900000000, -0.0000288800000000, 0.0013239500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011861500000000 ] - [ 0.0000025400000000, 0.0000621500000000, 0.0013239500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012278000000000 ] - [ -0.0000025400000000, 0.0000621500000000, 0.0013239500000000 ] - [ 0.0000000000000000, -0.0000007100000000, -0.0005384700000000 ] - [ -0.0000062400000000, -0.0000036000000000, -0.0005309700000000 ] - [ 0.0000062400000000, -0.0000036000000000, -0.0005309700000000 ] - [ 0.0000073000000000, 0.0000042100000000, -0.0005360600000000 ] - [ -0.0000073000000000, 0.0000042100000000, -0.0005360600000000 ] - [ 0.0000000000000000, 0.0000072000000000, -0.0005309700000000 ] - [ -0.0000006200000000, 0.0000003600000000, -0.0005384700000000 ] - [ 0.0000000000000000, -0.0000084300000000, -0.0005360600000000 ] - [ 0.0000006200000000, 0.0000003600000000, -0.0005384700000000 ] - [ 0.0000000000000000, -0.0000185500000000, -0.0008727500000000 ] - [ -0.0000185900000000, -0.0000107300000000, -0.0008669600000000 ] - [ 0.0000185900000000, -0.0000107300000000, -0.0008669600000000 ] - [ -0.0000344100000000, -0.0000198700000000, -0.0008736100000000 ] - [ 0.0000344100000000, -0.0000198700000000, -0.0008736100000000 ] - [ 0.0000000000000000, 0.0000214600000000, -0.0008669600000000 ] - [ -0.0000160700000000, 0.0000092800000000, -0.0008727500000000 ] - [ 0.0000000000000000, 0.0000397300000000, -0.0008736100000000 ] - [ 0.0000160700000000, 0.0000092800000000, -0.0008727500000000 ] - [ 0.0000000000000000, -0.0041925600000000, 0.0038159600000000 ] - [ 0.0000894500000000, 0.0000516400000000, -0.0006538700000000 ] - [ -0.0000894500000000, 0.0000516400000000, -0.0006538700000000 ] - [ 0.0001297400000000, 0.0000749100000000, -0.0006636800000000 ] - [ -0.0001297400000000, 0.0000749100000000, -0.0006636800000000 ] - [ 0.0000000000000000, -0.0001032900000000, -0.0006538700000000 ] - [ -0.0036308600000000, 0.0020962800000000, 0.0038159600000000 ] - [ 0.0000000000000000, -0.0001498100000000, -0.0006636800000000 ] - [ 0.0036308600000000, 0.0020962800000000, 0.0038159600000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0003507300000000 ] - [ 0.0002643100000000, 0.0001403200000000, -0.0004453800000000 ] - [ -0.0002643100000000, 0.0001403200000000, -0.0004453800000000 ] - [ -0.0002536700000000, 0.0001587400000000, -0.0004453800000000 ] - [ 0.0002536700000000, 0.0001587400000000, -0.0004453800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004355000000000 ] - [ 0.0000106400000000, -0.0002990600000000, -0.0004453800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005758300000000 ] - [ -0.0000106400000000, -0.0002990600000000, -0.0004453800000000 ] - [ 0.0081743100000000, 0.0047194400000000, -0.0079425800000000 ] - [ 0.0000000000000000, 0.0001159400000000, -0.0004995600000000 ] - [ -0.0081743100000000, 0.0047194400000000, -0.0079425800000000 ] - [ 0.0000000000000000, -0.0004780800000000, -0.0009290200000000 ] - [ 0.0001004100000000, -0.0000579700000000, -0.0004995600000000 ] - [ -0.0001004100000000, -0.0000579700000000, -0.0004995600000000 ] - [ -0.0004140300000000, 0.0002390400000000, -0.0009290200000000 ] - [ 0.0004140300000000, 0.0002390400000000, -0.0009290200000000 ] - [ 0.0000000000000000, -0.0094388800000000, -0.0079425800000000 ] - [ -0.0000116400000000, -0.0000067200000000, -0.0004713900000000 ] - [ 0.0000000000000000, 0.0000536700000000, -0.0004581700000000 ] - [ 0.0000116400000000, -0.0000067200000000, -0.0004713900000000 ] - [ 0.0000000000000000, -0.0000653600000000, -0.0004133000000000 ] - [ 0.0000464800000000, -0.0000268400000000, -0.0004581700000000 ] - [ -0.0000464800000000, -0.0000268400000000, -0.0004581700000000 ] - [ -0.0000566100000000, 0.0000326800000000, -0.0004133000000000 ] - [ 0.0000566100000000, 0.0000326800000000, -0.0004133000000000 ] - [ 0.0000000000000000, 0.0000134400000000, -0.0004713900000000 ] - [ -0.0000391400000000, -0.0000225900000000, -0.0004284200000000 ] - [ 0.0000000000000000, -0.0000602000000000, -0.0004532100000000 ] - [ 0.0000391400000000, -0.0000225900000000, -0.0004284200000000 ] - [ 0.0000000000000000, -0.0000807200000000, -0.0004630300000000 ] - [ -0.0000521400000000, 0.0000301000000000, -0.0004532100000000 ] - [ 0.0000521400000000, 0.0000301000000000, -0.0004532100000000 ] - [ -0.0000699100000000, 0.0000403600000000, -0.0004630300000000 ] - [ 0.0000699100000000, 0.0000403600000000, -0.0004630300000000 ] - [ 0.0000000000000000, 0.0000451900000000, -0.0004284200000000 ] - [ -0.0000073600000000, -0.0000042500000000, -0.0003183200000000 ] - [ 0.0000000000000000, 0.0000812900000000, -0.0003092500000000 ] - [ 0.0000073600000000, -0.0000042500000000, -0.0003183200000000 ] - [ 0.0000000000000000, -0.0001062000000000, -0.0002851300000000 ] - [ 0.0000704000000000, -0.0000406500000000, -0.0003092500000000 ] - [ -0.0000704000000000, -0.0000406500000000, -0.0003092500000000 ] - [ -0.0000919800000000, 0.0000531000000000, -0.0002851300000000 ] - [ 0.0000919800000000, 0.0000531000000000, -0.0002851300000000 ] - [ 0.0000000000000000, 0.0000085000000000, -0.0003183200000000 ] - [ 0.0000000000000000, -0.0000024400000000, -0.0004753000000000 ] - [ -0.0000095800000000, -0.0000055300000000, -0.0004689700000000 ] - [ 0.0000095800000000, -0.0000055300000000, -0.0004689700000000 ] - [ 0.0000113500000000, 0.0000065500000000, -0.0004785800000000 ] - [ -0.0000113500000000, 0.0000065500000000, -0.0004785800000000 ] - [ 0.0000000000000000, 0.0000110600000000, -0.0004689700000000 ] - [ -0.0000021100000000, 0.0000012200000000, -0.0004753000000000 ] - [ 0.0000000000000000, -0.0000131100000000, -0.0004785800000000 ] - [ 0.0000021100000000, 0.0000012200000000, -0.0004753000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0374840800000000 ] - [ 0.0002169700000000, -0.0000370900000000, 0.0014960100000000 ] - [ -0.0002169700000000, -0.0000370900000000, 0.0014960100000000 ] - [ -0.0000763700000000, 0.0002064400000000, 0.0014960100000000 ] - [ 0.0000763700000000, 0.0002064400000000, 0.0014960100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007537100000000 ] - [ 0.0001406000000000, -0.0001693600000000, 0.0014960100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007543900000000 ] - [ -0.0001406000000000, -0.0001693600000000, 0.0014960100000000 ] - [ 0.0000002900000000, 0.0000001700000000, 0.0010673800000000 ] - [ 0.0000000000000000, 0.0000121200000000, 0.0011290600000000 ] - [ -0.0000002900000000, 0.0000001700000000, 0.0010673800000000 ] - [ 0.0000000000000000, -0.0001610000000000, 0.0009834900000000 ] - [ 0.0000105000000000, -0.0000060600000000, 0.0011290600000000 ] - [ -0.0000105000000000, -0.0000060600000000, 0.0011290600000000 ] - [ -0.0001394300000000, 0.0000805000000000, 0.0009834900000000 ] - [ 0.0001394300000000, 0.0000805000000000, 0.0009834900000000 ] - [ 0.0000000000000000, -0.0000003400000000, 0.0010673800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005630700000000 ] - [ 0.0000116800000000, -0.0000023200000000, 0.0005616900000000 ] - [ -0.0000116800000000, -0.0000023200000000, 0.0005616900000000 ] - [ -0.0000038300000000, 0.0000112800000000, 0.0005616900000000 ] - [ 0.0000038300000000, 0.0000112800000000, 0.0005616900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005632600000000 ] - [ 0.0000078500000000, -0.0000089600000000, 0.0005616900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005622400000000 ] - [ -0.0000078500000000, -0.0000089600000000, 0.0005616900000000 ] - [ 0.0000000000000000, -0.0006105900000000, -0.0012192800000000 ] - [ -0.0000311800000000, -0.0000180000000000, -0.0004590700000000 ] - [ 0.0000311800000000, -0.0000180000000000, -0.0004590700000000 ] - [ 0.0000017400000000, 0.0000010000000000, -0.0004019100000000 ] - [ -0.0000017400000000, 0.0000010000000000, -0.0004019100000000 ] - [ 0.0000000000000000, 0.0000360100000000, -0.0004590700000000 ] - [ -0.0005287900000000, 0.0003053000000000, -0.0012192800000000 ] - [ 0.0000000000000000, -0.0000020100000000, -0.0004019100000000 ] - [ 0.0005287900000000, 0.0003053000000000, -0.0012192800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009492900000000 ] - [ 0.0000085400000000, -0.0000000300000000, 0.0009413600000000 ] - [ -0.0000085400000000, -0.0000000300000000, 0.0009413600000000 ] - [ -0.0000042400000000, 0.0000074100000000, 0.0009413600000000 ] - [ 0.0000042400000000, 0.0000074100000000, 0.0009413600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009352000000000 ] - [ 0.0000043000000000, -0.0000073800000000, 0.0009413600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009326600000000 ] - [ -0.0000043000000000, -0.0000073800000000, 0.0009413600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011986700000000 ] - [ 0.0000598700000000, 0.0000331000000000, 0.0011421900000000 ] - [ -0.0000598700000000, 0.0000331000000000, 0.0011421900000000 ] - [ -0.0000586000000000, 0.0000353000000000, 0.0011421900000000 ] - [ 0.0000586000000000, 0.0000353000000000, 0.0011421900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012725100000000 ] - [ 0.0000012700000000, -0.0000684000000000, 0.0011421900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012311300000000 ] - [ -0.0000012700000000, -0.0000684000000000, 0.0011421900000000 ] - [ 0.0000000000000000, -0.0000013200000000, -0.0006474800000000 ] - [ -0.0000069800000000, -0.0000040300000000, -0.0006409900000000 ] - [ 0.0000069800000000, -0.0000040300000000, -0.0006409900000000 ] - [ 0.0000065100000000, 0.0000037600000000, -0.0006467200000000 ] - [ -0.0000065100000000, 0.0000037600000000, -0.0006467200000000 ] - [ 0.0000000000000000, 0.0000080500000000, -0.0006409900000000 ] - [ -0.0000011400000000, 0.0000006600000000, -0.0006474800000000 ] - [ 0.0000000000000000, -0.0000075100000000, -0.0006467200000000 ] - [ 0.0000011400000000, 0.0000006600000000, -0.0006474800000000 ] - [ 0.0000000000000000, 0.0000202400000000, -0.0009846800000000 ] - [ 0.0000130700000000, 0.0000075500000000, -0.0009776500000000 ] - [ -0.0000130700000000, 0.0000075500000000, -0.0009776500000000 ] - [ 0.0000397700000000, 0.0000229600000000, -0.0009815100000000 ] - [ -0.0000397700000000, 0.0000229600000000, -0.0009815100000000 ] - [ 0.0000000000000000, -0.0000150900000000, -0.0009776500000000 ] - [ 0.0000175300000000, -0.0000101200000000, -0.0009846800000000 ] - [ 0.0000000000000000, -0.0000459300000000, -0.0009815100000000 ] - [ -0.0000175300000000, -0.0000101200000000, -0.0009846800000000 ] - [ 0.0000000000000000, 0.0042544900000000, -0.0045220900000000 ] - [ -0.0000970500000000, -0.0000560300000000, 0.0000061600000000 ] - [ 0.0000970500000000, -0.0000560300000000, 0.0000061600000000 ] - [ -0.0001273600000000, -0.0000735300000000, 0.0000183900000000 ] - [ 0.0001273600000000, -0.0000735300000000, 0.0000183900000000 ] - [ 0.0000000000000000, 0.0001120700000000, 0.0000061600000000 ] - [ 0.0036845000000000, -0.0021272500000000, -0.0045220900000000 ] - [ 0.0000000000000000, 0.0001470600000000, 0.0000183900000000 ] - [ -0.0036845000000000, -0.0021272500000000, -0.0045220900000000 ]- atom: 64 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0062947300000000, 0.0029527700000000, 0.0047088300000000 ] - [ 0.0066112400000000, -0.0031582000000000, -0.0061085900000000 ] - [ -0.0012913900000000, 0.0000062400000000, -0.0005141900000000 ] - [ -0.0009092900000000, 0.0008049200000000, -0.0006045700000000 ] - [ 0.0011617300000000, 0.0000394500000000, -0.0005162300000000 ] - [ -0.0008746600000000, -0.0007589300000000, -0.0004120200000000 ] - [ 0.0004623400000000, -0.0000539400000000, -0.0005197800000000 ] - [ -0.0002155600000000, 0.0005863500000000, -0.0005574300000000 ] - [ -0.0002457000000000, -0.0006384500000000, -0.0004608500000000 ] - [ 0.0000490700000000, -0.0000016200000000, 0.0001767500000000 ] - [ -0.0000195000000000, 0.0000846600000000, 0.0002298000000000 ] - [ -0.0000163700000000, -0.0000548900000000, 0.0001258000000000 ] - [ 0.0000845800000000, -0.0000262900000000, 0.0001611600000000 ] - [ 0.0001113300000000, -0.0000268000000000, 0.0001925000000000 ] - [ -0.0002333800000000, -0.0000162500000000, 0.0001790500000000 ] - [ -0.0000359000000000, 0.0000767700000000, 0.0002118600000000 ] - [ 0.0000367100000000, 0.0000186200000000, 0.0001743700000000 ] - [ -0.0000045000000000, -0.0000537700000000, 0.0001392200000000 ] - [ -0.0000114900000000, -0.0000068400000000, -0.0005809200000000 ] - [ -0.0000015200000000, 0.0000518100000000, -0.0005686200000000 ] - [ 0.0000103300000000, -0.0000052900000000, -0.0005805700000000 ] - [ -0.0000002500000000, -0.0000668900000000, -0.0005227300000000 ] - [ 0.0000457400000000, -0.0000268100000000, -0.0005693100000000 ] - [ -0.0000468000000000, -0.0000267400000000, -0.0005680300000000 ] - [ -0.0000574800000000, 0.0000354200000000, -0.0005231300000000 ] - [ 0.0000563000000000, 0.0000336300000000, -0.0005240000000000 ] - [ 0.0000005200000000, 0.0000122300000000, -0.0005817000000000 ] - [ -0.0000072300000000, -0.0000033200000000, -0.0005645500000000 ] - [ 0.0000002200000000, 0.0000336900000000, -0.0005715400000000 ] - [ 0.0000062100000000, -0.0000043200000000, -0.0005647100000000 ] - [ 0.0000001100000000, -0.0000414800000000, -0.0005431500000000 ] - [ 0.0000281700000000, -0.0000154700000000, -0.0005712100000000 ] - [ -0.0000282300000000, -0.0000166100000000, -0.0005717700000000 ] - [ -0.0000362900000000, 0.0000203100000000, -0.0005430600000000 ] - [ 0.0000383700000000, 0.0000203300000000, -0.0005427800000000 ] - [ -0.0000017400000000, 0.0000074000000000, -0.0005643300000000 ] - [ 0.0001370000000000, -0.0000068800000000, -0.0004264700000000 ] - [ -0.0001309700000000, 0.0001156700000000, -0.0004850600000000 ] - [ -0.0001205500000000, -0.0000470600000000, -0.0003593000000000 ] - [ 0.0000237700000000, 0.0000585000000000, -0.0003395800000000 ] - [ 0.0000883700000000, -0.0002039400000000, -0.0004758600000000 ] - [ -0.0000824600000000, -0.0000381900000000, -0.0004177500000000 ] - [ -0.0000381000000000, 0.0000849600000000, -0.0004074700000000 ] - [ -0.0000078500000000, 0.0000536400000000, -0.0003976900000000 ] - [ 0.0000547400000000, -0.0000173200000000, -0.0004180000000000 ] - [ 0.0004187100000000, -0.0002834500000000, -0.0011419200000000 ] - [ 0.0004146000000000, 0.0002837200000000, 0.0003142300000000 ] - [ 0.0001012400000000, -0.0000048200000000, -0.0004191500000000 ] - [ 0.0000282100000000, -0.0000370200000000, -0.0003855400000000 ] - [ -0.0000238500000000, 0.0000051000000000, -0.0004213400000000 ] - [ 0.0000195300000000, 0.0000523000000000, -0.0004556600000000 ] - [ -0.0000745000000000, 0.0000010900000000, -0.0004205500000000 ] - [ 0.0000045800000000, -0.0000210500000000, -0.0004022300000000 ] - [ 0.0000059000000000, 0.0000125400000000, -0.0004399400000000 ] - [ -0.0000248800000000, 0.0000290200000000, 0.0006398600000000 ] - [ -0.0000227000000000, -0.0000293400000000, 0.0006437900000000 ] - [ 0.0000148600000000, -0.0000002800000000, 0.0006419400000000 ] - [ 0.0000926400000000, -0.0000440900000000, 0.0007758900000000 ] - [ -0.0000743200000000, 0.0000018600000000, 0.0006417400000000 ] - [ 0.0000935200000000, 0.0000457500000000, 0.0005099300000000 ] - [ 0.0000152800000000, -0.0000016700000000, 0.0006422900000000 ] - [ -0.0000017800000000, -0.0000109500000000, 0.0006469000000000 ] - [ -0.0000028800000000, 0.0000089400000000, 0.0006384900000000 ] - [ -0.0285314600000000, 0.0001816700000000, 0.0013851300000000 ] - [ 0.0058424900000000, 0.0004119700000000, 0.0013584800000000 ] - [ 0.0057481200000000, -0.0003960300000000, 0.0008913900000000 ] - [ 0.0010121200000000, -0.0023667100000000, 0.0010341800000000 ] - [ 0.0010126700000000, 0.0023643900000000, 0.0012001200000000 ] - [ 0.0000452700000000, -0.0000037800000000, 0.0011207300000000 ] - [ 0.0010025700000000, -0.0031680900000000, 0.0012726200000000 ] - [ 0.0000597400000000, 0.0000035800000000, 0.0011158900000000 ] - [ 0.0010078600000000, 0.0031538800000000, 0.0009715900000000 ] - [ -0.0000254200000000, 0.0000292900000000, 0.0005954600000000 ] - [ -0.0000143400000000, -0.0000297100000000, 0.0006443700000000 ] - [ 0.0000064800000000, -0.0000006700000000, 0.0006186500000000 ] - [ 0.0000885000000000, -0.0000367500000000, 0.0005531200000000 ] - [ -0.0000709800000000, 0.0000092600000000, 0.0006188000000000 ] - [ 0.0000939000000000, 0.0000461500000000, 0.0006843300000000 ] - [ 0.0000194400000000, -0.0000094800000000, 0.0006187100000000 ] - [ -0.0000016800000000, -0.0000110800000000, 0.0006488300000000 ] - [ -0.0000074700000000, 0.0000016800000000, 0.0005873700000000 ] - [ 0.0016394500000000, -0.0022025700000000, 0.0031743500000000 ] - [ 0.0016271900000000, 0.0022173700000000, -0.0041383600000000 ] - [ 0.0003636000000000, -0.0000031000000000, -0.0004750800000000 ] - [ 0.0001435900000000, -0.0001237500000000, -0.0005974400000000 ] - [ -0.0002490500000000, 0.0000053100000000, -0.0004690800000000 ] - [ 0.0001358800000000, 0.0001347600000000, -0.0003443300000000 ] - [ -0.0021943900000000, 0.0000070400000000, -0.0004610800000000 ] - [ -0.0003166600000000, 0.0000341100000000, -0.0003771400000000 ] - [ -0.0003065100000000, -0.0000380800000000, -0.0005551700000000 ] - [ -0.0000002400000000, 0.0000001600000000, 0.0010059200000000 ] - [ 0.0000079300000000, -0.0000005100000000, 0.0009977300000000 ] - [ -0.0000078500000000, -0.0000002200000000, 0.0009976900000000 ] - [ -0.0000032000000000, 0.0000075800000000, 0.0009979100000000 ] - [ 0.0000032700000000, 0.0000069300000000, 0.0009976900000000 ] - [ 0.0000009800000000, -0.0000009200000000, 0.0009924400000000 ] - [ 0.0000062600000000, -0.0000072300000000, 0.0009976900000000 ] - [ -0.0000007100000000, -0.0000006800000000, 0.0009922600000000 ] - [ -0.0000048300000000, -0.0000065300000000, 0.0009983300000000 ] - [ -0.0000000100000000, -0.0000000200000000, 0.0012380200000000 ] - [ 0.0000036500000000, -0.0000003600000000, 0.0012353900000000 ] - [ -0.0000031700000000, -0.0000002600000000, 0.0012345500000000 ] - [ -0.0000011400000000, 0.0000036400000000, 0.0012339900000000 ] - [ 0.0000015400000000, 0.0000030900000000, 0.0012344900000000 ] - [ 0.0000007900000000, -0.0000008100000000, 0.0012309200000000 ] - [ 0.0000036900000000, -0.0000033400000000, 0.0012342900000000 ] - [ -0.0000006100000000, -0.0000007600000000, 0.0012332300000000 ] - [ -0.0000025400000000, -0.0000025900000000, 0.0012321500000000 ] - [ -0.0000004900000000, -0.0000019100000000, -0.0005927100000000 ] - [ -0.0000071000000000, -0.0000025600000000, -0.0005889100000000 ] - [ 0.0000097900000000, -0.0000036800000000, -0.0005873000000000 ] - [ 0.0000065900000000, 0.0000020700000000, -0.0005937800000000 ] - [ -0.0000065100000000, 0.0000040800000000, -0.0005928000000000 ] - [ -0.0000003900000000, 0.0000097900000000, -0.0005863500000000 ] - [ -0.0000032300000000, 0.0000006200000000, -0.0005942800000000 ] - [ 0.0000002500000000, -0.0000077700000000, -0.0005915400000000 ] - [ 0.0000011000000000, 0.0000005300000000, -0.0005955700000000 ] - [ -0.0000003500000000, 0.0000008400000000, -0.0009305700000000 ] - [ -0.0000032600000000, -0.0000012800000000, -0.0009239000000000 ] - [ 0.0000033300000000, -0.0000014800000000, -0.0009239800000000 ] - [ 0.0000032700000000, 0.0000017200000000, -0.0009293400000000 ] - [ -0.0000044700000000, 0.0000016400000000, -0.0009293100000000 ] - [ 0.0000005800000000, 0.0000033400000000, -0.0009239300000000 ] - [ 0.0000000500000000, -0.0000003100000000, -0.0009304600000000 ] - [ -0.0000007100000000, -0.0000034700000000, -0.0009288000000000 ] - [ -0.0000016800000000, 0.0000001700000000, -0.0009309100000000 ] - [ -0.0000193600000000, -0.0000067200000000, -0.0003218700000000 ] - [ -0.0000217600000000, 0.0000067200000000, -0.0003268900000000 ] - [ 0.0000534200000000, -0.0000013200000000, -0.0003253000000000 ] - [ -0.0000106700000000, -0.0000353900000000, -0.0002937200000000 ] - [ 0.0000132200000000, 0.0000007500000000, -0.0003240100000000 ] - [ -0.0000115700000000, 0.0000391300000000, -0.0003553500000000 ] - [ -0.0000322200000000, -0.0000005200000000, -0.0003233300000000 ] - [ 0.0000149800000000, -0.0000014800000000, -0.0003324700000000 ] - [ 0.0000139700000000, -0.0000000400000000, -0.0003149300000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0079159700000000, 0.0045702900000000, 0.0074849200000000 ] - [ -0.0079159700000000, 0.0045702900000000, 0.0074849200000000 ] - [ 0.0000000000000000, 0.0000883100000000, 0.0001642200000000 ] - [ -0.0004138100000000, 0.0002389100000000, 0.0005812100000000 ] - [ 0.0000000000000000, -0.0091405800000000, 0.0074849200000000 ] - [ 0.0004138100000000, 0.0002389100000000, 0.0005812100000000 ] - [ 0.0000000000000000, -0.0004778300000000, 0.0005812100000000 ] - [ -0.0000764800000000, -0.0000441500000000, 0.0001642200000000 ] - [ 0.0000764800000000, -0.0000441500000000, 0.0001642200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000653600000000 ] - [ 0.0000596800000000, -0.0000408700000000, 0.0000690900000000 ] - [ -0.0000596800000000, -0.0000408700000000, 0.0000690900000000 ] - [ 0.0000055500000000, 0.0000721200000000, 0.0000690900000000 ] - [ -0.0000055500000000, 0.0000721200000000, 0.0000690900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000571300000000 ] - [ 0.0000652400000000, -0.0000312500000000, 0.0000690900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001503400000000 ] - [ -0.0000652400000000, -0.0000312500000000, 0.0000690900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006941400000000 ] - [ -0.0000218900000000, 0.0000330400000000, -0.0006692900000000 ] - [ 0.0000218900000000, 0.0000330400000000, -0.0006692900000000 ] - [ -0.0000176700000000, -0.0000354800000000, -0.0006692900000000 ] - [ 0.0000176700000000, -0.0000354800000000, -0.0006692900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006800900000000 ] - [ -0.0000395600000000, 0.0000024400000000, -0.0006692900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006307900000000 ] - [ 0.0000395600000000, 0.0000024400000000, -0.0006692900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006755400000000 ] - [ -0.0000136400000000, 0.0000159600000000, -0.0006711800000000 ] - [ 0.0000136400000000, 0.0000159600000000, -0.0006711800000000 ] - [ -0.0000070000000000, -0.0000197900000000, -0.0006711800000000 ] - [ 0.0000070000000000, -0.0000197900000000, -0.0006711800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006835000000000 ] - [ -0.0000206400000000, 0.0000038400000000, -0.0006711800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006547300000000 ] - [ 0.0000206400000000, 0.0000038400000000, -0.0006711800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006653100000000 ] - [ -0.0002446200000000, 0.0001842400000000, -0.0004897300000000 ] - [ 0.0002446200000000, 0.0001842400000000, -0.0004897300000000 ] - [ -0.0000372500000000, -0.0003039600000000, -0.0004897300000000 ] - [ 0.0000372500000000, -0.0003039600000000, -0.0004897300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003347400000000 ] - [ -0.0002818600000000, 0.0001197200000000, -0.0004897300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004583200000000 ] - [ 0.0002818600000000, 0.0001197200000000, -0.0004897300000000 ] - [ -0.0005439100000000, 0.0003140300000000, 0.0003578400000000 ] - [ 0.0005439100000000, 0.0003140300000000, 0.0003578400000000 ] - [ 0.0000000000000000, 0.0000001600000000, -0.0004897400000000 ] - [ -0.0000001400000000, -0.0000000800000000, -0.0004897400000000 ] - [ 0.0000000000000000, 0.0000322800000000, -0.0004370300000000 ] - [ 0.0000001400000000, -0.0000000800000000, -0.0004897400000000 ] - [ 0.0000000000000000, -0.0006280600000000, 0.0003578400000000 ] - [ 0.0000279600000000, -0.0000161400000000, -0.0004370300000000 ] - [ -0.0000279600000000, -0.0000161400000000, -0.0004370300000000 ] - [ 0.0000245500000000, 0.0000141700000000, 0.0006967800000000 ] - [ -0.0000245500000000, 0.0000141700000000, 0.0006967800000000 ] - [ 0.0000000000000000, 0.0000352600000000, 0.0006338500000000 ] - [ 0.0000644600000000, -0.0000372100000000, 0.0007763700000000 ] - [ 0.0000000000000000, -0.0000283500000000, 0.0006967800000000 ] - [ -0.0000644600000000, -0.0000372100000000, 0.0007763700000000 ] - [ 0.0000000000000000, 0.0000744300000000, 0.0007763700000000 ] - [ -0.0000305400000000, -0.0000176300000000, 0.0006338500000000 ] - [ 0.0000305400000000, -0.0000176300000000, 0.0006338500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0352421900000000 ] - [ -0.0002458000000000, -0.0000401000000000, 0.0002572300000000 ] - [ 0.0002458000000000, -0.0000401000000000, 0.0002572300000000 ] - [ 0.0001576300000000, -0.0001928200000000, 0.0002572300000000 ] - [ -0.0001576300000000, -0.0001928200000000, 0.0002572300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010118700000000 ] - [ -0.0000881800000000, 0.0002329200000000, 0.0002572300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010062300000000 ] - [ 0.0000881800000000, 0.0002329200000000, 0.0002572300000000 ] - [ -0.0000032900000000, -0.0000019000000000, 0.0006752500000000 ] - [ 0.0000032900000000, -0.0000019000000000, 0.0006752500000000 ] - [ 0.0000000000000000, 0.0000039800000000, 0.0006095700000000 ] - [ -0.0001414500000000, 0.0000816700000000, 0.0007550900000000 ] - [ 0.0000000000000000, 0.0000038000000000, 0.0006752500000000 ] - [ 0.0001414500000000, 0.0000816700000000, 0.0007550900000000 ] - [ 0.0000000000000000, -0.0001633300000000, 0.0007550900000000 ] - [ -0.0000034500000000, -0.0000019900000000, 0.0006095700000000 ] - [ 0.0000034500000000, -0.0000019900000000, 0.0006095700000000 ] - [ 0.0036026200000000, -0.0020799800000000, 0.0036631600000000 ] - [ -0.0036026200000000, -0.0020799800000000, 0.0036631600000000 ] - [ 0.0000000000000000, 0.0001405400000000, -0.0008035700000000 ] - [ -0.0001217200000000, -0.0000702700000000, -0.0008035700000000 ] - [ 0.0000000000000000, 0.0001047200000000, -0.0008039300000000 ] - [ 0.0001217200000000, -0.0000702700000000, -0.0008035700000000 ] - [ 0.0000000000000000, 0.0041599500000000, 0.0036631600000000 ] - [ 0.0000906900000000, -0.0000523600000000, -0.0008039300000000 ] - [ -0.0000906900000000, -0.0000523600000000, -0.0008039300000000 ] - [ -0.0000055800000000, -0.0000032200000000, 0.0010556600000000 ] - [ 0.0000055800000000, -0.0000032200000000, 0.0010556600000000 ] - [ 0.0000000000000000, -0.0000020900000000, 0.0010523700000000 ] - [ -0.0000051600000000, 0.0000029800000000, 0.0010537100000000 ] - [ 0.0000000000000000, 0.0000064400000000, 0.0010556600000000 ] - [ 0.0000051600000000, 0.0000029800000000, 0.0010537100000000 ] - [ 0.0000000000000000, -0.0000059600000000, 0.0010537100000000 ] - [ 0.0000018100000000, 0.0000010500000000, 0.0010523700000000 ] - [ -0.0000018100000000, 0.0000010500000000, 0.0010523700000000 ] - [ -0.0000012500000000, -0.0000007200000000, 0.0012921900000000 ] - [ 0.0000012500000000, -0.0000007200000000, 0.0012921900000000 ] - [ 0.0000000000000000, 0.0000010300000000, 0.0012909700000000 ] - [ -0.0000017500000000, 0.0000010100000000, 0.0012895700000000 ] - [ 0.0000000000000000, 0.0000014400000000, 0.0012921900000000 ] - [ 0.0000017500000000, 0.0000010100000000, 0.0012895700000000 ] - [ 0.0000000000000000, -0.0000020300000000, 0.0012895700000000 ] - [ -0.0000008900000000, -0.0000005200000000, 0.0012909700000000 ] - [ 0.0000008900000000, -0.0000005200000000, 0.0012909700000000 ] - [ 0.0000016400000000, -0.0000009500000000, -0.0005368900000000 ] - [ -0.0000016400000000, -0.0000009500000000, -0.0005368900000000 ] - [ 0.0000000000000000, -0.0000089600000000, -0.0005312000000000 ] - [ 0.0000077600000000, 0.0000044800000000, -0.0005312000000000 ] - [ 0.0000000000000000, 0.0000047400000000, -0.0005431000000000 ] - [ -0.0000077600000000, 0.0000044800000000, -0.0005312000000000 ] - [ 0.0000000000000000, 0.0000019000000000, -0.0005368900000000 ] - [ 0.0000041100000000, -0.0000023700000000, -0.0005431000000000 ] - [ -0.0000041100000000, -0.0000023700000000, -0.0005431000000000 ] - [ 0.0000001200000000, -0.0000000700000000, -0.0008749000000000 ] - [ -0.0000001200000000, -0.0000000700000000, -0.0008749000000000 ] - [ 0.0000000000000000, -0.0000018600000000, -0.0008713600000000 ] - [ 0.0000016100000000, 0.0000009300000000, -0.0008713600000000 ] - [ 0.0000000000000000, 0.0000019900000000, -0.0008750600000000 ] - [ -0.0000016100000000, 0.0000009300000000, -0.0008713600000000 ] - [ 0.0000000000000000, 0.0000001300000000, -0.0008749000000000 ] - [ 0.0000017300000000, -0.0000010000000000, -0.0008750600000000 ] - [ -0.0000017300000000, -0.0000010000000000, -0.0008750600000000 ] - [ -0.0000061000000000, 0.0000035200000000, -0.0002613500000000 ] - [ 0.0000061000000000, 0.0000035200000000, -0.0002613500000000 ] - [ 0.0000000000000000, 0.0000657300000000, -0.0002541400000000 ] - [ -0.0000569300000000, -0.0000328700000000, -0.0002541400000000 ] - [ 0.0000000000000000, -0.0000280100000000, -0.0002951200000000 ] - [ 0.0000569300000000, -0.0000328700000000, -0.0002541400000000 ] - [ 0.0000000000000000, -0.0000070400000000, -0.0002613500000000 ] - [ -0.0000242500000000, 0.0000140000000000, -0.0002951200000000 ] - [ 0.0000242500000000, 0.0000140000000000, -0.0002951200000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0082199600000000, -0.0047457900000000, -0.0086680800000000 ] - [ 0.0082199600000000, -0.0047457900000000, -0.0086680800000000 ] - [ 0.0000000000000000, -0.0000868900000000, -0.0011926700000000 ] - [ 0.0003504300000000, -0.0002023200000000, -0.0016122000000000 ] - [ 0.0000000000000000, 0.0094915900000000, -0.0086680800000000 ] - [ -0.0003504300000000, -0.0002023200000000, -0.0016122000000000 ] - [ 0.0000000000000000, 0.0004046500000000, -0.0016122000000000 ] - [ 0.0000752500000000, 0.0000434400000000, -0.0011926700000000 ] - [ -0.0000752500000000, 0.0000434400000000, -0.0011926700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002878300000000 ] - [ -0.0000835300000000, 0.0000731400000000, 0.0002837500000000 ] - [ 0.0000835300000000, 0.0000731400000000, 0.0002837500000000 ] - [ -0.0000215800000000, -0.0001089100000000, 0.0002837500000000 ] - [ 0.0000215800000000, -0.0001089100000000, 0.0002837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004151900000000 ] - [ -0.0001051100000000, 0.0000357700000000, 0.0002837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001975000000000 ] - [ 0.0001051100000000, 0.0000357700000000, 0.0002837500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004684200000000 ] - [ -0.0000248200000000, 0.0000203400000000, -0.0004469800000000 ] - [ 0.0000248200000000, 0.0000203400000000, -0.0004469800000000 ] - [ -0.0000052100000000, -0.0000316700000000, -0.0004469800000000 ] - [ 0.0000052100000000, -0.0000316700000000, -0.0004469800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004568100000000 ] - [ -0.0000300300000000, 0.0000113300000000, -0.0004469800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004181000000000 ] - [ 0.0000300300000000, 0.0000113300000000, -0.0004469800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004544200000000 ] - [ -0.0000138500000000, 0.0000168700000000, -0.0004492300000000 ] - [ 0.0000138500000000, 0.0000168700000000, -0.0004492300000000 ] - [ -0.0000076900000000, -0.0000204300000000, -0.0004492300000000 ] - [ 0.0000076900000000, -0.0000204300000000, -0.0004492300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004609700000000 ] - [ -0.0000215300000000, 0.0000035600000000, -0.0004492300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004318200000000 ] - [ 0.0000215300000000, 0.0000035600000000, -0.0004492300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001903100000000 ] - [ 0.0001704000000000, -0.0001000700000000, -0.0003386600000000 ] - [ -0.0001704000000000, -0.0001000700000000, -0.0003386600000000 ] - [ 0.0000014600000000, 0.0001976000000000, -0.0003386600000000 ] - [ -0.0000014600000000, 0.0001976000000000, -0.0003386600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004971800000000 ] - [ 0.0001718600000000, -0.0000975400000000, -0.0003386600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003367900000000 ] - [ -0.0001718600000000, -0.0000975400000000, -0.0003386600000000 ] - [ 0.0005338500000000, -0.0003082200000000, -0.0011764100000000 ] - [ -0.0005338500000000, -0.0003082200000000, -0.0011764100000000 ] - [ 0.0000000000000000, -0.0000132500000000, -0.0003537500000000 ] - [ 0.0000114700000000, 0.0000066200000000, -0.0003537500000000 ] - [ 0.0000000000000000, -0.0000258800000000, -0.0004073700000000 ] - [ -0.0000114700000000, 0.0000066200000000, -0.0003537500000000 ] - [ 0.0000000000000000, 0.0006164400000000, -0.0011764100000000 ] - [ -0.0000224200000000, 0.0000129400000000, -0.0004073700000000 ] - [ 0.0000224200000000, 0.0000129400000000, -0.0004073700000000 ] - [ -0.0000267500000000, -0.0000154400000000, 0.0005872300000000 ] - [ 0.0000267500000000, -0.0000154400000000, 0.0005872300000000 ] - [ 0.0000000000000000, -0.0000357000000000, 0.0006516700000000 ] - [ -0.0000666500000000, 0.0000384800000000, 0.0005088200000000 ] - [ 0.0000000000000000, 0.0000308900000000, 0.0005872300000000 ] - [ 0.0000666500000000, 0.0000384800000000, 0.0005088200000000 ] - [ 0.0000000000000000, -0.0000769600000000, 0.0005088200000000 ] - [ 0.0000309200000000, 0.0000178500000000, 0.0006516700000000 ] - [ -0.0000309200000000, 0.0000178500000000, 0.0006516700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0379204100000000 ] - [ 0.0002226300000000, 0.0000444000000000, 0.0019797000000000 ] - [ -0.0002226300000000, 0.0000444000000000, 0.0019797000000000 ] - [ -0.0001497700000000, 0.0001706000000000, 0.0019797000000000 ] - [ 0.0001497700000000, 0.0001706000000000, 0.0019797000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012321700000000 ] - [ 0.0000728600000000, -0.0002150000000000, 0.0019797000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012263600000000 ] - [ -0.0000728600000000, -0.0002150000000000, 0.0019797000000000 ] - [ -0.0000074900000000, -0.0000043300000000, 0.0005654400000000 ] - [ 0.0000074900000000, -0.0000043300000000, 0.0005654400000000 ] - [ 0.0000000000000000, -0.0000044100000000, 0.0006270900000000 ] - [ 0.0001275600000000, -0.0000736500000000, 0.0004856400000000 ] - [ 0.0000000000000000, 0.0000086500000000, 0.0005654400000000 ] - [ -0.0001275600000000, -0.0000736500000000, 0.0004856400000000 ] - [ 0.0000000000000000, 0.0001472900000000, 0.0004856400000000 ] - [ 0.0000038200000000, 0.0000022100000000, 0.0006270900000000 ] - [ -0.0000038200000000, 0.0000022100000000, 0.0006270900000000 ] - [ -0.0036479100000000, 0.0021061200000000, -0.0046630700000000 ] - [ 0.0036479100000000, 0.0021061200000000, -0.0046630700000000 ] - [ 0.0000000000000000, -0.0001509400000000, -0.0001409800000000 ] - [ 0.0001307100000000, 0.0000754700000000, -0.0001409800000000 ] - [ 0.0000000000000000, -0.0001031500000000, -0.0001320400000000 ] - [ -0.0001307100000000, 0.0000754700000000, -0.0001409800000000 ] - [ 0.0000000000000000, -0.0042122400000000, -0.0046630700000000 ] - [ -0.0000893300000000, 0.0000515800000000, -0.0001320400000000 ] - [ 0.0000893300000000, 0.0000515800000000, -0.0001320400000000 ] - [ -0.0000026400000000, -0.0000015300000000, 0.0009459200000000 ] - [ 0.0000026400000000, -0.0000015300000000, 0.0009459200000000 ] - [ 0.0000000000000000, 0.0000018700000000, 0.0009406000000000 ] - [ -0.0000028800000000, 0.0000016600000000, 0.0009388500000000 ] - [ 0.0000000000000000, 0.0000030500000000, 0.0009459200000000 ] - [ 0.0000028800000000, 0.0000016600000000, 0.0009388500000000 ] - [ 0.0000000000000000, -0.0000033300000000, 0.0009388500000000 ] - [ -0.0000016200000000, -0.0000009300000000, 0.0009406000000000 ] - [ 0.0000016200000000, -0.0000009300000000, 0.0009406000000000 ] - [ -0.0000024400000000, -0.0000014100000000, 0.0011807200000000 ] - [ 0.0000024400000000, -0.0000014100000000, 0.0011807200000000 ] - [ 0.0000000000000000, -0.0000012300000000, 0.0011765700000000 ] - [ -0.0000018200000000, 0.0000010500000000, 0.0011775400000000 ] - [ 0.0000000000000000, 0.0000028200000000, 0.0011807200000000 ] - [ 0.0000018200000000, 0.0000010500000000, 0.0011775400000000 ] - [ 0.0000000000000000, -0.0000021000000000, 0.0011775400000000 ] - [ 0.0000010600000000, 0.0000006100000000, 0.0011765700000000 ] - [ -0.0000010600000000, 0.0000006100000000, 0.0011765700000000 ] - [ 0.0000033200000000, -0.0000019200000000, -0.0006471400000000 ] - [ -0.0000033200000000, -0.0000019200000000, -0.0006471400000000 ] - [ 0.0000000000000000, -0.0000015600000000, -0.0006471300000000 ] - [ 0.0000013500000000, 0.0000007800000000, -0.0006471300000000 ] - [ 0.0000000000000000, -0.0000000300000000, -0.0006436100000000 ] - [ -0.0000013500000000, 0.0000007800000000, -0.0006471300000000 ] - [ 0.0000000000000000, 0.0000038300000000, -0.0006471400000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0006436100000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0006436100000000 ] - [ 0.0000013100000000, -0.0000007600000000, -0.0009818400000000 ] - [ -0.0000013100000000, -0.0000007600000000, -0.0009818400000000 ] - [ 0.0000000000000000, -0.0000023600000000, -0.0009802200000000 ] - [ 0.0000020400000000, 0.0000011800000000, -0.0009802200000000 ] - [ 0.0000000000000000, 0.0000006200000000, -0.0009843200000000 ] - [ -0.0000020400000000, 0.0000011800000000, -0.0009802200000000 ] - [ 0.0000000000000000, 0.0000015100000000, -0.0009818400000000 ] - [ 0.0000005300000000, -0.0000003100000000, -0.0009843200000000 ] - [ -0.0000005300000000, -0.0000003100000000, -0.0009843200000000 ] - [ 0.0000071900000000, -0.0000041500000000, -0.0003866200000000 ] - [ -0.0000071900000000, -0.0000041500000000, -0.0003866200000000 ] - [ 0.0000000000000000, -0.0000688700000000, -0.0003952900000000 ] - [ 0.0000596400000000, 0.0000344300000000, -0.0003952900000000 ] - [ 0.0000000000000000, 0.0000296500000000, -0.0003520400000000 ] - [ -0.0000596400000000, 0.0000344300000000, -0.0003952900000000 ] - [ 0.0000000000000000, 0.0000083000000000, -0.0003866200000000 ] - [ 0.0000256800000000, -0.0000148300000000, -0.0003520400000000 ] - [ -0.0000256800000000, -0.0000148300000000, -0.0003520400000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000531800000000, -0.0000002200000000, -0.0005895000000000 ] - [ 0.0000409700000000, -0.0000532500000000, -0.0004720200000000 ] - [ -0.0000798300000000, 0.0000533600000000, -0.0005734900000000 ] - [ -0.0000344900000000, 0.0001103700000000, -0.0005601500000000 ] - [ 0.0000264600000000, -0.0000062800000000, -0.0004855700000000 ] - [ 0.0000050600000000, -0.0000000800000000, -0.0004982000000000 ] - [ 0.0001148400000000, -0.0000412600000000, -0.0005091500000000 ] - [ -0.0002065400000000, 0.0000004700000000, -0.0004989800000000 ] - [ 0.0000550800000000, -0.0000629500000000, -0.0005360300000000 ] - [ -0.0000046100000000, -0.0000032200000000, 0.0001753500000000 ] - [ 0.0000022000000000, 0.0000315300000000, 0.0001790400000000 ] - [ 0.0000031200000000, -0.0000007800000000, 0.0001781400000000 ] - [ -0.0000025500000000, -0.0000372800000000, 0.0001743000000000 ] - [ 0.0000285100000000, -0.0000154200000000, 0.0001776400000000 ] - [ -0.0000255000000000, -0.0000160900000000, 0.0001805100000000 ] - [ -0.0000333900000000, 0.0000177000000000, 0.0001743400000000 ] - [ 0.0000309900000000, 0.0000193800000000, 0.0001744500000000 ] - [ 0.0000014400000000, 0.0000045800000000, 0.0001768600000000 ] - [ 0.0000409700000000, -0.0000710100000000, -0.0006336200000000 ] - [ -0.0001110900000000, 0.0000528700000000, -0.0005680400000000 ] - [ 0.0000661600000000, 0.0000579100000000, -0.0005281600000000 ] - [ -0.0000108200000000, -0.0000680900000000, -0.0005238900000000 ] - [ 0.0000486300000000, -0.0000925100000000, -0.0006203900000000 ] - [ -0.0000428500000000, 0.0000390600000000, -0.0005145900000000 ] - [ -0.0002714100000000, 0.0001508000000000, -0.0005800700000000 ] - [ -0.0001547100000000, -0.0000827500000000, -0.0004679600000000 ] - [ 0.0001651800000000, 0.0000142800000000, -0.0005800600000000 ] - [ -0.0000050900000000, -0.0000046600000000, -0.0005663200000000 ] - [ -0.0000020000000000, 0.0000329300000000, -0.0005717200000000 ] - [ 0.0000075700000000, -0.0000021900000000, -0.0005626900000000 ] - [ -0.0000021100000000, -0.0000407200000000, -0.0005427000000000 ] - [ 0.0000298500000000, -0.0000185100000000, -0.0005729100000000 ] - [ -0.0000267400000000, -0.0000143700000000, -0.0005704500000000 ] - [ -0.0000362800000000, 0.0000197500000000, -0.0005434900000000 ] - [ 0.0000340000000000, 0.0000208200000000, -0.0005420700000000 ] - [ 0.0000033500000000, 0.0000073500000000, -0.0005645300000000 ] - [ 0.0065253600000000, 0.0031450200000000, -0.0060051800000000 ] - [ -0.0012292200000000, 0.0000686300000000, -0.0004094600000000 ] - [ 0.0062922200000000, -0.0029523900000000, 0.0048636900000000 ] - [ 0.0004289300000000, -0.0001049600000000, -0.0003951600000000 ] - [ -0.0001500000000000, -0.0006229900000000, -0.0004767000000000 ] - [ -0.0002790700000000, 0.0005486100000000, -0.0003558000000000 ] - [ -0.0009670200000000, 0.0008100600000000, -0.0003111100000000 ] - [ -0.0007863400000000, -0.0006975700000000, -0.0004806500000000 ] - [ 0.0011292500000000, 0.0000258000000000, -0.0004204500000000 ] - [ -0.0021987600000000, -0.0000078200000000, -0.0004154800000000 ] - [ -0.0003262400000000, -0.0000491200000000, -0.0003266200000000 ] - [ -0.0003000800000000, 0.0000353500000000, -0.0005101800000000 ] - [ 0.0001441800000000, -0.0001216000000000, -0.0002926400000000 ] - [ 0.0001277400000000, 0.0001320500000000, -0.0005496500000000 ] - [ -0.0002399900000000, 0.0000090000000000, -0.0004206700000000 ] - [ 0.0016292700000000, -0.0022219900000000, -0.0040842800000000 ] - [ 0.0003556600000000, -0.0000104200000000, -0.0004225900000000 ] - [ 0.0016378000000000, 0.0022033000000000, 0.0032186000000000 ] - [ 0.0000009000000000, -0.0000001200000000, 0.0006413200000000 ] - [ 0.0000031500000000, -0.0000006100000000, 0.0006431600000000 ] - [ -0.0000014100000000, 0.0000000600000000, 0.0006408800000000 ] - [ -0.0000004500000000, 0.0000009600000000, 0.0006397300000000 ] - [ 0.0000015500000000, 0.0000027400000000, 0.0006441400000000 ] - [ 0.0000004100000000, -0.0000001700000000, 0.0006437700000000 ] - [ 0.0000014600000000, -0.0000017100000000, 0.0006408000000000 ] - [ 0.0000012000000000, -0.0000001400000000, 0.0006435800000000 ] - [ -0.0000010200000000, -0.0000023500000000, 0.0006430700000000 ] - [ -0.0000270900000000, 0.0000286700000000, 0.0011248900000000 ] - [ 0.0000167200000000, 0.0000085100000000, 0.0011215600000000 ] - [ -0.0000244500000000, -0.0000298700000000, 0.0011207900000000 ] - [ 0.0000133300000000, -0.0000084500000000, 0.0011170200000000 ] - [ 0.0000049600000000, 0.0000068500000000, 0.0011252500000000 ] - [ -0.0000093000000000, -0.0000149500000000, 0.0011178300000000 ] - [ 0.0000861600000000, -0.0000419300000000, 0.0009822200000000 ] - [ 0.0001006500000000, 0.0000505500000000, 0.0012511000000000 ] - [ -0.0000764500000000, 0.0000016100000000, 0.0011226700000000 ] - [ -0.0285151100000000, -0.0001844800000000, 0.0008813200000000 ] - [ 0.0058511700000000, -0.0004034700000000, 0.0008664900000000 ] - [ 0.0057343000000000, 0.0003944600000000, 0.0003768900000000 ] - [ 0.0010107300000000, -0.0031369600000000, 0.0004616100000000 ] - [ 0.0010227600000000, 0.0031753500000000, 0.0007808500000000 ] - [ 0.0000515800000000, 0.0000005800000000, 0.0006174500000000 ] - [ 0.0010191200000000, -0.0023723100000000, 0.0007019900000000 ] - [ 0.0000514700000000, -0.0000003600000000, 0.0006172900000000 ] - [ 0.0010144000000000, 0.0023442000000000, 0.0005316400000000 ] - [ -0.0000327400000000, -0.0000019000000000, -0.0004664000000000 ] - [ 0.0000090800000000, -0.0000037800000000, -0.0004817000000000 ] - [ 0.0000222700000000, -0.0000041800000000, -0.0004650900000000 ] - [ -0.0000040200000000, -0.0000319300000000, -0.0004981400000000 ] - [ -0.0000188900000000, 0.0000400600000000, -0.0004375300000000 ] - [ 0.0000153100000000, 0.0000074000000000, -0.0004734600000000 ] - [ -0.0000200200000000, -0.0000074300000000, -0.0004678900000000 ] - [ 0.0000508900000000, -0.0000085600000000, -0.0004679800000000 ] - [ -0.0000170300000000, 0.0000090200000000, -0.0004651900000000 ] - [ -0.0000311500000000, -0.0000002100000000, 0.0010060100000000 ] - [ 0.0000565200000000, 0.0000407300000000, 0.0010539800000000 ] - [ 0.0000404000000000, -0.0000406500000000, 0.0009415500000000 ] - [ -0.0000260200000000, -0.0000001200000000, 0.0009984600000000 ] - [ -0.0000177100000000, 0.0000142400000000, 0.0009971500000000 ] - [ 0.0000373100000000, -0.0000001000000000, 0.0009923700000000 ] - [ -0.0000241300000000, -0.0000852500000000, 0.0010547500000000 ] - [ -0.0000333300000000, -0.0000004100000000, 0.0009930100000000 ] - [ -0.0000321700000000, 0.0000700700000000, 0.0009409200000000 ] - [ -0.0000003700000000, -0.0000001500000000, 0.0012390800000000 ] - [ 0.0000048900000000, -0.0000008300000000, 0.0012348200000000 ] - [ -0.0000023800000000, 0.0000002700000000, 0.0012341500000000 ] - [ -0.0000024200000000, 0.0000022300000000, 0.0012343900000000 ] - [ 0.0000010000000000, 0.0000039000000000, 0.0012345900000000 ] - [ 0.0000030300000000, -0.0000001500000000, 0.0012304700000000 ] - [ 0.0000019600000000, -0.0000042400000000, 0.0012347100000000 ] - [ 0.0000009900000000, -0.0000001600000000, 0.0012308600000000 ] - [ -0.0000019000000000, -0.0000022100000000, 0.0012342400000000 ] - [ -0.0000541900000000, -0.0000009700000000, -0.0005942400000000 ] - [ 0.0000028000000000, 0.0000123200000000, -0.0005750300000000 ] - [ 0.0000160000000000, -0.0000195200000000, -0.0006002500000000 ] - [ 0.0000313400000000, -0.0000735900000000, -0.0006303500000000 ] - [ 0.0000179000000000, 0.0000817700000000, -0.0005560600000000 ] - [ -0.0000181700000000, 0.0000077100000000, -0.0005877000000000 ] - [ 0.0005207800000000, -0.0003330600000000, 0.0001138000000000 ] - [ 0.0001591800000000, -0.0000078900000000, -0.0005925600000000 ] - [ 0.0005164800000000, 0.0003284300000000, -0.0012895900000000 ] - [ -0.0000013300000000, 0.0000009900000000, -0.0009304200000000 ] - [ -0.0000025500000000, 0.0000006900000000, -0.0009219500000000 ] - [ 0.0000030800000000, -0.0000036600000000, -0.0009260800000000 ] - [ 0.0000030300000000, 0.0000003700000000, -0.0009270700000000 ] - [ -0.0000022500000000, 0.0000029100000000, -0.0009314500000000 ] - [ -0.0000035000000000, 0.0000033700000000, -0.0009240200000000 ] - [ 0.0000001400000000, -0.0000007800000000, -0.0009300500000000 ] - [ 0.0000025900000000, -0.0000029600000000, -0.0009292200000000 ] - [ -0.0000013400000000, 0.0000000700000000, -0.0009307800000000 ] - [ 0.0000007900000000, 0.0000014500000000, -0.0003234800000000 ] - [ -0.0000034300000000, -0.0000009300000000, -0.0003247200000000 ] - [ 0.0000011000000000, -0.0000014400000000, -0.0003258600000000 ] - [ 0.0000018700000000, 0.0000010300000000, -0.0003243600000000 ] - [ -0.0000001800000000, 0.0000003700000000, -0.0003234900000000 ] - [ -0.0000015400000000, 0.0000027400000000, -0.0003253200000000 ] - [ 0.0000010400000000, -0.0000000400000000, -0.0003236700000000 ] - [ 0.0000002400000000, -0.0000010700000000, -0.0003238900000000 ] - [ -0.0000012200000000, -0.0000010800000000, -0.0003232300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0007018800000000 ] - [ 0.0001316900000000, 0.0000571500000000, -0.0006308200000000 ] - [ -0.0001316900000000, 0.0000571500000000, -0.0006308200000000 ] - [ -0.0001153400000000, 0.0000854700000000, -0.0006308200000000 ] - [ 0.0001153400000000, 0.0000854700000000, -0.0006308200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005227700000000 ] - [ 0.0000163500000000, -0.0001426200000000, -0.0006308200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007356100000000 ] - [ -0.0000163500000000, -0.0001426200000000, -0.0006308200000000 ] - [ -0.0000030300000000, -0.0000017500000000, 0.0000633400000000 ] - [ 0.0000000000000000, 0.0000325300000000, 0.0000672800000000 ] - [ 0.0000030300000000, -0.0000017500000000, 0.0000633400000000 ] - [ 0.0000000000000000, -0.0000369100000000, 0.0000627100000000 ] - [ 0.0000281700000000, -0.0000162600000000, 0.0000672800000000 ] - [ -0.0000281700000000, -0.0000162600000000, 0.0000672800000000 ] - [ -0.0000319700000000, 0.0000184600000000, 0.0000627100000000 ] - [ 0.0000319700000000, 0.0000184600000000, 0.0000627100000000 ] - [ 0.0000000000000000, 0.0000035000000000, 0.0000633400000000 ] - [ -0.0001024300000000, -0.0000591400000000, -0.0006917400000000 ] - [ 0.0000000000000000, 0.0000284300000000, -0.0005505600000000 ] - [ 0.0001024300000000, -0.0000591400000000, -0.0006917400000000 ] - [ 0.0000000000000000, -0.0004144700000000, -0.0006891600000000 ] - [ 0.0000246200000000, -0.0000142200000000, -0.0005505600000000 ] - [ -0.0000246200000000, -0.0000142200000000, -0.0005505600000000 ] - [ -0.0003589400000000, 0.0002072300000000, -0.0006891600000000 ] - [ 0.0003589400000000, 0.0002072300000000, -0.0006891600000000 ] - [ 0.0000000000000000, 0.0001182800000000, -0.0006917400000000 ] - [ -0.0000041800000000, -0.0000024200000000, -0.0006766600000000 ] - [ 0.0000000000000000, 0.0000389700000000, -0.0006852800000000 ] - [ 0.0000041800000000, -0.0000024200000000, -0.0006766600000000 ] - [ 0.0000000000000000, -0.0000405100000000, -0.0006535100000000 ] - [ 0.0000337500000000, -0.0000194900000000, -0.0006852800000000 ] - [ -0.0000337500000000, -0.0000194900000000, -0.0006852800000000 ] - [ -0.0000350800000000, 0.0000202500000000, -0.0006535100000000 ] - [ 0.0000350800000000, 0.0000202500000000, -0.0006535100000000 ] - [ 0.0000000000000000, 0.0000048300000000, -0.0006766600000000 ] - [ -0.0079539100000000, -0.0045921900000000, 0.0076066200000000 ] - [ 0.0000000000000000, -0.0000092200000000, 0.0002553300000000 ] - [ 0.0079539100000000, -0.0045921900000000, 0.0076066200000000 ] - [ 0.0000000000000000, 0.0003414600000000, 0.0006974500000000 ] - [ -0.0000079800000000, 0.0000046100000000, 0.0002553300000000 ] - [ 0.0000079800000000, 0.0000046100000000, 0.0002553300000000 ] - [ 0.0002957100000000, -0.0001707300000000, 0.0006974500000000 ] - [ -0.0002957100000000, -0.0001707300000000, 0.0006974500000000 ] - [ 0.0000000000000000, 0.0091843800000000, 0.0076066200000000 ] - [ 0.0000000000000000, -0.0041528200000000, 0.0037111300000000 ] - [ 0.0000805400000000, 0.0000465000000000, -0.0007558200000000 ] - [ -0.0000805400000000, 0.0000465000000000, -0.0007558200000000 ] - [ 0.0001335400000000, 0.0000771000000000, -0.0007518000000000 ] - [ -0.0001335400000000, 0.0000771000000000, -0.0007518000000000 ] - [ 0.0000000000000000, -0.0000930000000000, -0.0007558200000000 ] - [ -0.0035964500000000, 0.0020764100000000, 0.0037111300000000 ] - [ 0.0000000000000000, -0.0001542000000000, -0.0007518000000000 ] - [ 0.0035964500000000, 0.0020764100000000, 0.0037111300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006998200000000 ] - [ 0.0000021800000000, -0.0000011300000000, 0.0006991100000000 ] - [ -0.0000021800000000, -0.0000011300000000, 0.0006991100000000 ] - [ -0.0000001100000000, 0.0000024500000000, 0.0006991100000000 ] - [ 0.0000001100000000, 0.0000024500000000, 0.0006991100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006997900000000 ] - [ 0.0000020700000000, -0.0000013200000000, 0.0006991100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006984400000000 ] - [ -0.0000020700000000, -0.0000013200000000, 0.0006991100000000 ] - [ -0.0000270400000000, -0.0000156100000000, 0.0011783500000000 ] - [ 0.0000000000000000, -0.0000273500000000, 0.0011135800000000 ] - [ 0.0000270400000000, -0.0000156100000000, 0.0011783500000000 ] - [ 0.0000000000000000, -0.0000842900000000, 0.0012519100000000 ] - [ -0.0000236900000000, 0.0000136700000000, 0.0011135800000000 ] - [ 0.0000236900000000, 0.0000136700000000, 0.0011135800000000 ] - [ -0.0000730000000000, 0.0000421500000000, 0.0012519100000000 ] - [ 0.0000730000000000, 0.0000421500000000, 0.0012519100000000 ] - [ 0.0000000000000000, 0.0000312300000000, 0.0011783500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0357448500000000 ] - [ -0.0002430700000000, 0.0000442600000000, -0.0002400000000000 ] - [ 0.0002430700000000, 0.0000442600000000, -0.0002400000000000 ] - [ 0.0000832100000000, -0.0002326400000000, -0.0002400000000000 ] - [ -0.0000832100000000, -0.0002326400000000, -0.0002400000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005039800000000 ] - [ -0.0001598600000000, 0.0001883800000000, -0.0002400000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005046000000000 ] - [ 0.0001598600000000, 0.0001883800000000, -0.0002400000000000 ] - [ 0.0000000000000000, 0.0000063800000000, -0.0004029800000000 ] - [ -0.0000314300000000, -0.0000181500000000, -0.0004439300000000 ] - [ 0.0000314300000000, -0.0000181500000000, -0.0004439300000000 ] - [ 0.0000660500000000, 0.0000381300000000, -0.0003965300000000 ] - [ -0.0000660500000000, 0.0000381300000000, -0.0003965300000000 ] - [ 0.0000000000000000, 0.0000362900000000, -0.0004439300000000 ] - [ 0.0000055300000000, -0.0000031900000000, -0.0004029800000000 ] - [ 0.0000000000000000, -0.0000762600000000, -0.0003965300000000 ] - [ -0.0000055300000000, -0.0000031900000000, -0.0004029800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010466700000000 ] - [ 0.0000666600000000, 0.0001037300000000, 0.0010908700000000 ] - [ -0.0000666600000000, 0.0001037300000000, 0.0010908700000000 ] - [ -0.0001231600000000, 0.0000058700000000, 0.0010908700000000 ] - [ 0.0001231600000000, 0.0000058700000000, 0.0010908700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009921500000000 ] - [ -0.0000565000000000, -0.0001095900000000, 0.0010908700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009493900000000 ] - [ 0.0000565000000000, -0.0001095900000000, 0.0010908700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012964300000000 ] - [ 0.0000040400000000, -0.0000008600000000, 0.0012918400000000 ] - [ -0.0000040400000000, -0.0000008600000000, 0.0012918400000000 ] - [ -0.0000012800000000, 0.0000039300000000, 0.0012918400000000 ] - [ 0.0000012800000000, 0.0000039300000000, 0.0012918400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012921800000000 ] - [ 0.0000027600000000, -0.0000030700000000, 0.0012918400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012891200000000 ] - [ -0.0000027600000000, -0.0000030700000000, 0.0012918400000000 ] - [ 0.0000000000000000, 0.0008206600000000, 0.0002045800000000 ] - [ 0.0000061200000000, 0.0000035400000000, -0.0005994600000000 ] - [ -0.0000061200000000, 0.0000035400000000, -0.0005994600000000 ] - [ -0.0000304800000000, -0.0000176000000000, -0.0006703200000000 ] - [ 0.0000304800000000, -0.0000176000000000, -0.0006703200000000 ] - [ 0.0000000000000000, -0.0000070700000000, -0.0005994600000000 ] - [ 0.0007107100000000, -0.0004103300000000, 0.0002045800000000 ] - [ 0.0000000000000000, 0.0000352000000000, -0.0006703200000000 ] - [ -0.0007107100000000, -0.0004103300000000, 0.0002045800000000 ] - [ 0.0000000000000000, 0.0000013400000000, -0.0008777200000000 ] - [ -0.0000007300000000, -0.0000004200000000, -0.0008625000000000 ] - [ 0.0000007300000000, -0.0000004200000000, -0.0008625000000000 ] - [ 0.0000048900000000, 0.0000028300000000, -0.0008755000000000 ] - [ -0.0000048900000000, 0.0000028300000000, -0.0008755000000000 ] - [ 0.0000000000000000, 0.0000008400000000, -0.0008625000000000 ] - [ 0.0000011600000000, -0.0000006700000000, -0.0008777200000000 ] - [ 0.0000000000000000, -0.0000056500000000, -0.0008755000000000 ] - [ -0.0000011600000000, -0.0000006700000000, -0.0008777200000000 ] - [ 0.0000000000000000, 0.0000004900000000, -0.0002678300000000 ] - [ -0.0000032800000000, -0.0000019000000000, -0.0002698100000000 ] - [ 0.0000032800000000, -0.0000019000000000, -0.0002698100000000 ] - [ 0.0000005800000000, 0.0000003300000000, -0.0002689500000000 ] - [ -0.0000005800000000, 0.0000003300000000, -0.0002689500000000 ] - [ 0.0000000000000000, 0.0000037900000000, -0.0002698100000000 ] - [ 0.0000004200000000, -0.0000002400000000, -0.0002678300000000 ] - [ 0.0000000000000000, -0.0000006700000000, -0.0002689500000000 ] - [ -0.0000004200000000, -0.0000002400000000, -0.0002678300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004770400000000 ] - [ -0.0000113400000000, -0.0000573400000000, -0.0004142600000000 ] - [ 0.0000113400000000, -0.0000573400000000, -0.0004142600000000 ] - [ 0.0000553300000000, 0.0000188500000000, -0.0004142600000000 ] - [ -0.0000553300000000, 0.0000188500000000, -0.0004142600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004734400000000 ] - [ 0.0000439900000000, 0.0000384900000000, -0.0004142600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002611400000000 ] - [ -0.0000439900000000, 0.0000384900000000, -0.0004142600000000 ] - [ -0.0000045900000000, -0.0000026500000000, 0.0002895900000000 ] - [ 0.0000000000000000, 0.0000301800000000, 0.0002902100000000 ] - [ 0.0000045900000000, -0.0000026500000000, 0.0002895900000000 ] - [ 0.0000000000000000, -0.0000374600000000, 0.0002854300000000 ] - [ 0.0000261300000000, -0.0000150900000000, 0.0002902100000000 ] - [ -0.0000261300000000, -0.0000150900000000, 0.0002902100000000 ] - [ -0.0000324400000000, 0.0000187300000000, 0.0002854300000000 ] - [ 0.0000324400000000, 0.0000187300000000, 0.0002854300000000 ] - [ 0.0000000000000000, 0.0000053100000000, 0.0002895900000000 ] - [ 0.0000761300000000, 0.0000439600000000, -0.0004713300000000 ] - [ 0.0000000000000000, 0.0000771900000000, -0.0005828800000000 ] - [ -0.0000761300000000, 0.0000439600000000, -0.0004713300000000 ] - [ 0.0000000000000000, 0.0002709800000000, -0.0003611300000000 ] - [ 0.0000668500000000, -0.0000385900000000, -0.0005828800000000 ] - [ -0.0000668500000000, -0.0000385900000000, -0.0005828800000000 ] - [ 0.0002346800000000, -0.0001354900000000, -0.0003611300000000 ] - [ -0.0002346800000000, -0.0001354900000000, -0.0003611300000000 ] - [ 0.0000000000000000, -0.0000879100000000, -0.0004713300000000 ] - [ -0.0000083100000000, -0.0000048000000000, -0.0004533100000000 ] - [ 0.0000000000000000, 0.0000266900000000, -0.0004592500000000 ] - [ 0.0000083100000000, -0.0000048000000000, -0.0004533100000000 ] - [ 0.0000000000000000, -0.0000406500000000, -0.0004330500000000 ] - [ 0.0000231100000000, -0.0000133400000000, -0.0004592500000000 ] - [ -0.0000231100000000, -0.0000133400000000, -0.0004592500000000 ] - [ -0.0000352000000000, 0.0000203200000000, -0.0004330500000000 ] - [ 0.0000352000000000, 0.0000203200000000, -0.0004330500000000 ] - [ 0.0000000000000000, 0.0000096000000000, -0.0004533100000000 ] - [ 0.0081750200000000, 0.0047198500000000, -0.0085544700000000 ] - [ 0.0000000000000000, 0.0001572000000000, -0.0010909900000000 ] - [ -0.0081750200000000, 0.0047198500000000, -0.0085544700000000 ] - [ 0.0000000000000000, -0.0005511500000000, -0.0014961100000000 ] - [ 0.0001361400000000, -0.0000786000000000, -0.0010909900000000 ] - [ -0.0001361400000000, -0.0000786000000000, -0.0010909900000000 ] - [ -0.0004773100000000, 0.0002755700000000, -0.0014961100000000 ] - [ 0.0004773100000000, 0.0002755700000000, -0.0014961100000000 ] - [ 0.0000000000000000, -0.0094397000000000, -0.0085544700000000 ] - [ 0.0000000000000000, 0.0042080400000000, -0.0046153500000000 ] - [ -0.0001006500000000, -0.0000581100000000, -0.0000843900000000 ] - [ 0.0001006500000000, -0.0000581100000000, -0.0000843900000000 ] - [ -0.0001165400000000, -0.0000672800000000, -0.0000916200000000 ] - [ 0.0001165400000000, -0.0000672800000000, -0.0000916200000000 ] - [ 0.0000000000000000, 0.0001162200000000, -0.0000843900000000 ] - [ 0.0036442700000000, -0.0021040200000000, -0.0046153500000000 ] - [ 0.0000000000000000, 0.0001345700000000, -0.0000916200000000 ] - [ -0.0036442700000000, -0.0021040200000000, -0.0046153500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005833400000000 ] - [ 0.0000023100000000, 0.0000008900000000, 0.0005852200000000 ] - [ -0.0000023100000000, 0.0000008900000000, 0.0005852200000000 ] - [ -0.0000019200000000, 0.0000015500000000, 0.0005852200000000 ] - [ 0.0000019200000000, 0.0000015500000000, 0.0005852200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005882000000000 ] - [ 0.0000003800000000, -0.0000024400000000, 0.0005852200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005891200000000 ] - [ -0.0000003800000000, -0.0000024400000000, 0.0005852200000000 ] - [ 0.0000243600000000, 0.0000140600000000, 0.0010682500000000 ] - [ 0.0000000000000000, 0.0000441900000000, 0.0011304400000000 ] - [ -0.0000243600000000, 0.0000140600000000, 0.0010682500000000 ] - [ 0.0000000000000000, 0.0000677800000000, 0.0009817500000000 ] - [ 0.0000382700000000, -0.0000220900000000, 0.0011304400000000 ] - [ -0.0000382700000000, -0.0000220900000000, 0.0011304400000000 ] - [ 0.0000587000000000, -0.0000338900000000, 0.0009817500000000 ] - [ -0.0000587000000000, -0.0000338900000000, 0.0009817500000000 ] - [ 0.0000000000000000, -0.0000281300000000, 0.0010682500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0374133500000000 ] - [ 0.0002466500000000, -0.0000416700000000, 0.0014748700000000 ] - [ -0.0002466500000000, -0.0000416700000000, 0.0014748700000000 ] - [ -0.0000872400000000, 0.0002344400000000, 0.0014748700000000 ] - [ 0.0000872400000000, 0.0002344400000000, 0.0014748700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007326600000000 ] - [ 0.0001594200000000, -0.0001927700000000, 0.0014748700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007333800000000 ] - [ -0.0001594200000000, -0.0001927700000000, 0.0014748700000000 ] - [ 0.0000000000000000, -0.0000100400000000, -0.0005305900000000 ] - [ 0.0000183100000000, 0.0000105700000000, -0.0005033900000000 ] - [ -0.0000183100000000, 0.0000105700000000, -0.0005033900000000 ] - [ -0.0000517000000000, -0.0000298500000000, -0.0005401600000000 ] - [ 0.0000517000000000, -0.0000298500000000, -0.0005401600000000 ] - [ 0.0000000000000000, -0.0000211500000000, -0.0005033900000000 ] - [ -0.0000087000000000, 0.0000050200000000, -0.0005305900000000 ] - [ 0.0000000000000000, 0.0000596900000000, -0.0005401600000000 ] - [ 0.0000087000000000, 0.0000050200000000, -0.0005305900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009655900000000 ] - [ -0.0000489100000000, -0.0001011400000000, 0.0009063700000000 ] - [ 0.0000489100000000, -0.0001011400000000, 0.0009063700000000 ] - [ 0.0001120500000000, 0.0000082100000000, 0.0009063700000000 ] - [ -0.0001120500000000, 0.0000082100000000, 0.0009063700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009923000000000 ] - [ 0.0000631400000000, 0.0000929300000000, 0.0009063700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010348400000000 ] - [ -0.0000631400000000, 0.0000929300000000, 0.0009063700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011828300000000 ] - [ 0.0000032200000000, 0.0000005900000000, 0.0011784000000000 ] - [ -0.0000032200000000, 0.0000005900000000, 0.0011784000000000 ] - [ -0.0000021200000000, 0.0000025000000000, 0.0011784000000000 ] - [ 0.0000021200000000, 0.0000025000000000, 0.0011784000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011702000000000 ] - [ 0.0000011000000000, -0.0000030800000000, 0.0011784000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011739500000000 ] - [ -0.0000011000000000, -0.0000030800000000, 0.0011784000000000 ] - [ 0.0000000000000000, -0.0007967600000000, -0.0013692700000000 ] - [ -0.0000189000000000, -0.0000109100000000, -0.0005767400000000 ] - [ 0.0000189000000000, -0.0000109100000000, -0.0005767400000000 ] - [ 0.0000432500000000, 0.0000249700000000, -0.0005182600000000 ] - [ -0.0000432500000000, 0.0000249700000000, -0.0005182600000000 ] - [ 0.0000000000000000, 0.0000218300000000, -0.0005767400000000 ] - [ -0.0006900200000000, 0.0003983800000000, -0.0013692700000000 ] - [ 0.0000000000000000, -0.0000499500000000, -0.0005182600000000 ] - [ 0.0006900200000000, 0.0003983800000000, -0.0013692700000000 ] - [ 0.0000000000000000, 0.0000004100000000, -0.0009835000000000 ] - [ -0.0000048600000000, -0.0000028100000000, -0.0009856100000000 ] - [ 0.0000048600000000, -0.0000028100000000, -0.0009856100000000 ] - [ 0.0000004600000000, 0.0000002700000000, -0.0009832400000000 ] - [ -0.0000004600000000, 0.0000002700000000, -0.0009832400000000 ] - [ 0.0000000000000000, 0.0000056100000000, -0.0009856100000000 ] - [ 0.0000003600000000, -0.0000002100000000, -0.0009835000000000 ] - [ 0.0000000000000000, -0.0000005300000000, -0.0009832400000000 ] - [ -0.0000003600000000, -0.0000002100000000, -0.0009835000000000 ] - [ 0.0000000000000000, 0.0000021200000000, -0.0003789100000000 ] - [ -0.0000012400000000, -0.0000007200000000, -0.0003806400000000 ] - [ 0.0000012400000000, -0.0000007200000000, -0.0003806400000000 ] - [ 0.0000014600000000, 0.0000008400000000, -0.0003787400000000 ] - [ -0.0000014600000000, 0.0000008400000000, -0.0003787400000000 ] - [ 0.0000000000000000, 0.0000014400000000, -0.0003806400000000 ] - [ 0.0000018400000000, -0.0000010600000000, -0.0003789100000000 ] - [ 0.0000000000000000, -0.0000016800000000, -0.0003787400000000 ] - [ -0.0000018400000000, -0.0000010600000000, -0.0003789100000000 ]- atom: 82 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011192100000000, 0.0000142900000000, -0.0005965300000000 ] - [ -0.0008153300000000, 0.0007599900000000, -0.0006136500000000 ] - [ -0.0009394600000000, -0.0007535300000000, -0.0004351600000000 ] - [ 0.0061644200000000, -0.0028512500000000, -0.0057025700000000 ] - [ 0.0064830300000000, 0.0031597000000000, 0.0049450200000000 ] - [ -0.0012581400000000, -0.0000061800000000, -0.0005066000000000 ] - [ -0.0001867400000000, 0.0005497300000000, -0.0005917400000000 ] - [ 0.0004334300000000, 0.0000023000000000, -0.0005014200000000 ] - [ -0.0002459200000000, -0.0006532900000000, -0.0004567500000000 ] - [ 0.0000496600000000, 0.0000229100000000, 0.0002118900000000 ] - [ -0.0000949500000000, 0.0000320800000000, 0.0001794500000000 ] - [ 0.0000555400000000, -0.0000252200000000, 0.0001417400000000 ] - [ 0.0000944200000000, -0.0000372700000000, 0.0001749400000000 ] - [ -0.0001122700000000, -0.0000711500000000, 0.0002148300000000 ] - [ -0.0001654300000000, 0.0000379600000000, 0.0001449000000000 ] - [ -0.0000162600000000, 0.0000823100000000, 0.0002202000000000 ] - [ 0.0000474900000000, -0.0000454100000000, 0.0001294900000000 ] - [ -0.0000444200000000, 0.0000025800000000, 0.0001761600000000 ] - [ -0.0000122100000000, -0.0000092700000000, -0.0005821000000000 ] - [ 0.0000003700000000, 0.0000533700000000, -0.0005677100000000 ] - [ 0.0000120600000000, -0.0000045000000000, -0.0005790100000000 ] - [ -0.0000041100000000, -0.0000672300000000, -0.0005236200000000 ] - [ 0.0000474500000000, -0.0000272400000000, -0.0005680400000000 ] - [ -0.0000446000000000, -0.0000259600000000, -0.0005672000000000 ] - [ -0.0000596300000000, 0.0000326000000000, -0.0005245600000000 ] - [ 0.0000569200000000, 0.0000345700000000, -0.0005226100000000 ] - [ 0.0000026200000000, 0.0000141000000000, -0.0005805000000000 ] - [ -0.0000061500000000, -0.0000020900000000, -0.0005631600000000 ] - [ -0.0000001100000000, 0.0000329700000000, -0.0005713300000000 ] - [ 0.0000065000000000, -0.0000047600000000, -0.0005650500000000 ] - [ 0.0000025600000000, -0.0000406800000000, -0.0005422900000000 ] - [ 0.0000275100000000, -0.0000155800000000, -0.0005703600000000 ] - [ -0.0000290900000000, -0.0000172900000000, -0.0005721900000000 ] - [ -0.0000338400000000, 0.0000211000000000, -0.0005419200000000 ] - [ 0.0000364500000000, 0.0000194400000000, -0.0005428000000000 ] - [ -0.0000022500000000, 0.0000073500000000, -0.0005641100000000 ] - [ 0.0000440300000000, -0.0000628100000000, -0.0005067200000000 ] - [ -0.0001165900000000, 0.0000743500000000, -0.0004175900000000 ] - [ 0.0000670300000000, 0.0000496000000000, -0.0003465000000000 ] - [ -0.0000416500000000, -0.0001067300000000, -0.0003974500000000 ] - [ 0.0000949500000000, -0.0001369300000000, -0.0004569200000000 ] - [ -0.0000337500000000, 0.0000622000000000, -0.0003779900000000 ] - [ -0.0001909900000000, 0.0000639400000000, -0.0004376800000000 ] - [ -0.0000063200000000, 0.0000432100000000, -0.0003578000000000 ] - [ 0.0002031300000000, 0.0000136600000000, -0.0004267900000000 ] - [ -0.0000081300000000, -0.0000014400000000, -0.0004209700000000 ] - [ 0.0000074600000000, 0.0000224700000000, -0.0003710900000000 ] - [ 0.0000251900000000, -0.0000323400000000, -0.0004684500000000 ] - [ -0.0000193900000000, 0.0000042400000000, -0.0003516800000000 ] - [ -0.0000364500000000, 0.0000054800000000, -0.0004910200000000 ] - [ -0.0000149400000000, 0.0000101000000000, -0.0004197100000000 ] - [ -0.0000314600000000, -0.0000508300000000, -0.0003023000000000 ] - [ 0.0000362900000000, -0.0000096000000000, -0.0004209300000000 ] - [ -0.0000286900000000, 0.0000525700000000, -0.0005390800000000 ] - [ -0.0000728800000000, 0.0000030900000000, 0.0006448500000000 ] - [ 0.0000067800000000, -0.0000116900000000, 0.0006169600000000 ] - [ 0.0000028100000000, 0.0000109400000000, 0.0006669900000000 ] - [ 0.0004136100000000, -0.0002785100000000, 0.0011715100000000 ] - [ 0.0004211100000000, 0.0002875900000000, 0.0001002600000000 ] - [ 0.0000911600000000, -0.0000001800000000, 0.0006435400000000 ] - [ 0.0000205300000000, -0.0000427500000000, 0.0006476600000000 ] - [ -0.0000147800000000, -0.0000000600000000, 0.0006433900000000 ] - [ 0.0000186600000000, 0.0000399100000000, 0.0006362200000000 ] - [ 0.0016326700000000, -0.0022214000000000, 0.0047599900000000 ] - [ 0.0003565500000000, 0.0000075400000000, 0.0011229000000000 ] - [ 0.0016395000000000, 0.0022005200000000, -0.0024901500000000 ] - [ -0.0021933400000000, -0.0000153100000000, 0.0011102000000000 ] - [ -0.0003101700000000, -0.0000466400000000, 0.0010302200000000 ] - [ -0.0003156500000000, 0.0000349000000000, 0.0012103400000000 ] - [ 0.0001283500000000, -0.0001231300000000, 0.0009902800000000 ] - [ 0.0001427400000000, 0.0001321000000000, 0.0012428700000000 ] - [ -0.0002423100000000, 0.0000005900000000, 0.0011237900000000 ] - [ -0.0000329600000000, -0.0000000200000000, 0.0006208600000000 ] - [ 0.0000262400000000, -0.0000006800000000, 0.0006434600000000 ] - [ 0.0000048200000000, -0.0000002500000000, 0.0005936900000000 ] - [ -0.0000237300000000, 0.0000011200000000, 0.0006255900000000 ] - [ -0.0000137100000000, 0.0000175600000000, 0.0006113300000000 ] - [ 0.0000507000000000, -0.0000001700000000, 0.0006178800000000 ] - [ -0.0000059300000000, -0.0000453700000000, 0.0006772800000000 ] - [ 0.0000151400000000, -0.0000002000000000, 0.0006178100000000 ] - [ -0.0000174200000000, 0.0000266900000000, 0.0005595900000000 ] - [ -0.0281001700000000, -0.0002024900000000, -0.0007372700000000 ] - [ 0.0059058400000000, -0.0004277900000000, -0.0007114900000000 ] - [ 0.0058221400000000, 0.0004124000000000, -0.0002412900000000 ] - [ 0.0010251800000000, -0.0032028700000000, -0.0003019800000000 ] - [ 0.0010128000000000, 0.0032313700000000, -0.0006389800000000 ] - [ 0.0000586000000000, 0.0000082200000000, -0.0004730400000000 ] - [ 0.0010145100000000, -0.0023818200000000, -0.0005308900000000 ] - [ 0.0000586900000000, -0.0000090200000000, -0.0004673300000000 ] - [ 0.0010234500000000, 0.0023721400000000, -0.0003978800000000 ] - [ -0.0000017300000000, -0.0000001200000000, 0.0010058400000000 ] - [ 0.0000087100000000, -0.0000004400000000, 0.0009977200000000 ] - [ -0.0000078000000000, -0.0000000200000000, 0.0009973500000000 ] - [ -0.0000044500000000, 0.0000062100000000, 0.0009978400000000 ] - [ 0.0000034700000000, 0.0000076200000000, 0.0009971500000000 ] - [ 0.0000020700000000, -0.0000001600000000, 0.0009923900000000 ] - [ 0.0000046000000000, -0.0000080600000000, 0.0009976700000000 ] - [ 0.0000000900000000, 0.0000000800000000, 0.0009929400000000 ] - [ -0.0000036700000000, -0.0000061700000000, 0.0009972300000000 ] - [ -0.0000008200000000, -0.0000001300000000, 0.0012388500000000 ] - [ 0.0000036400000000, -0.0000017700000000, 0.0012332500000000 ] - [ -0.0000036000000000, 0.0000011900000000, 0.0012353500000000 ] - [ -0.0000018600000000, 0.0000026900000000, 0.0012349200000000 ] - [ 0.0000015300000000, 0.0000034500000000, 0.0012336900000000 ] - [ 0.0000012300000000, -0.0000001400000000, 0.0012302600000000 ] - [ 0.0000024500000000, -0.0000036200000000, 0.0012356900000000 ] - [ -0.0000025500000000, -0.0000001400000000, 0.0012306500000000 ] - [ -0.0000014000000000, -0.0000028000000000, 0.0012328300000000 ] - [ 0.0000001100000000, -0.0000008600000000, -0.0005944900000000 ] - [ -0.0000062700000000, -0.0000023000000000, -0.0005875400000000 ] - [ 0.0000069100000000, -0.0000050200000000, -0.0005873400000000 ] - [ 0.0000081300000000, 0.0000032700000000, -0.0005910900000000 ] - [ -0.0000056800000000, 0.0000049100000000, -0.0005946100000000 ] - [ -0.0000031000000000, 0.0000077200000000, -0.0005874800000000 ] - [ -0.0000019900000000, 0.0000011300000000, -0.0005927500000000 ] - [ 0.0000018900000000, -0.0000078500000000, -0.0005929000000000 ] - [ -0.0000002400000000, 0.0000001100000000, -0.0005960600000000 ] - [ -0.0000005300000000, 0.0000009900000000, -0.0009305700000000 ] - [ -0.0000022500000000, -0.0000014600000000, -0.0009245200000000 ] - [ 0.0000033900000000, -0.0000015200000000, -0.0009237700000000 ] - [ 0.0000021000000000, 0.0000008000000000, -0.0009289800000000 ] - [ -0.0000031700000000, 0.0000024700000000, -0.0009297900000000 ] - [ 0.0000005900000000, 0.0000033800000000, -0.0009241700000000 ] - [ 0.0000000100000000, -0.0000008900000000, -0.0009305900000000 ] - [ 0.0000015900000000, -0.0000029300000000, -0.0009293600000000 ] - [ -0.0000014700000000, 0.0000002300000000, -0.0009305200000000 ] - [ -0.0000082600000000, 0.0000011000000000, -0.0003233500000000 ] - [ 0.0000144600000000, -0.0000256000000000, -0.0003563600000000 ] - [ 0.0000191900000000, 0.0000222000000000, -0.0002949400000000 ] - [ -0.0000261300000000, -0.0000514700000000, -0.0002840100000000 ] - [ -0.0000283000000000, 0.0000538500000000, -0.0003648300000000 ] - [ -0.0000142700000000, 0.0000031700000000, -0.0003254900000000 ] - [ -0.0000296800000000, -0.0000003900000000, -0.0003134100000000 ] - [ 0.0000356800000000, -0.0000009900000000, -0.0003240500000000 ] - [ -0.0000305500000000, -0.0000006600000000, -0.0003328200000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0094678200000000, 0.0075566900000000 ] - [ -0.0003428200000000, 0.0001979300000000, 0.0005800500000000 ] - [ 0.0003428200000000, 0.0001979300000000, 0.0005800500000000 ] - [ -0.0081993700000000, 0.0047339100000000, 0.0075566900000000 ] - [ 0.0081993700000000, 0.0047339100000000, 0.0075566900000000 ] - [ 0.0000000000000000, 0.0000699500000000, 0.0001674300000000 ] - [ -0.0000605800000000, -0.0000349800000000, 0.0001674300000000 ] - [ 0.0000000000000000, -0.0003958500000000, 0.0005800500000000 ] - [ 0.0000605800000000, -0.0000349800000000, 0.0001674300000000 ] - [ 0.0000684000000000, -0.0000394900000000, 0.0000819400000000 ] - [ 0.0000000000000000, -0.0000091600000000, 0.0001862100000000 ] - [ -0.0000684000000000, -0.0000394900000000, 0.0000819400000000 ] - [ 0.0000000000000000, 0.0000789800000000, 0.0000819400000000 ] - [ 0.0002955200000000, 0.0001706200000000, 0.0000067100000000 ] - [ -0.0002955200000000, 0.0001706200000000, 0.0000067100000000 ] - [ 0.0000079300000000, 0.0000045800000000, 0.0001862100000000 ] - [ -0.0000079300000000, 0.0000045800000000, 0.0001862100000000 ] - [ 0.0000000000000000, -0.0003412300000000, 0.0000067100000000 ] - [ -0.0000247500000000, 0.0000142900000000, -0.0006743300000000 ] - [ 0.0000000000000000, 0.0000421700000000, -0.0006493300000000 ] - [ 0.0000247500000000, 0.0000142900000000, -0.0006743300000000 ] - [ 0.0000000000000000, -0.0000285800000000, -0.0006743300000000 ] - [ 0.0000132200000000, 0.0000076300000000, -0.0006842100000000 ] - [ -0.0000132200000000, 0.0000076300000000, -0.0006842100000000 ] - [ -0.0000365200000000, -0.0000210900000000, -0.0006493300000000 ] - [ 0.0000365200000000, -0.0000210900000000, -0.0006493300000000 ] - [ 0.0000000000000000, -0.0000152600000000, -0.0006842100000000 ] - [ -0.0000162200000000, 0.0000093700000000, -0.0006690100000000 ] - [ 0.0000000000000000, 0.0000309500000000, -0.0006656800000000 ] - [ 0.0000162200000000, 0.0000093700000000, -0.0006690100000000 ] - [ 0.0000000000000000, -0.0000187300000000, -0.0006690100000000 ] - [ 0.0000073500000000, 0.0000042400000000, -0.0006791700000000 ] - [ -0.0000073500000000, 0.0000042400000000, -0.0006791700000000 ] - [ -0.0000268100000000, -0.0000154800000000, -0.0006656800000000 ] - [ 0.0000268100000000, -0.0000154800000000, -0.0006656800000000 ] - [ 0.0000000000000000, -0.0000084800000000, -0.0006791700000000 ] - [ -0.0000855800000000, 0.0000494100000000, -0.0005653200000000 ] - [ 0.0000000000000000, 0.0001366800000000, -0.0005078400000000 ] - [ 0.0000855800000000, 0.0000494100000000, -0.0005653200000000 ] - [ 0.0000000000000000, -0.0000988100000000, -0.0005653200000000 ] - [ -0.0000512300000000, -0.0000295800000000, -0.0005069300000000 ] - [ 0.0000512300000000, -0.0000295800000000, -0.0005069300000000 ] - [ -0.0001183700000000, -0.0000683400000000, -0.0005078400000000 ] - [ 0.0001183700000000, -0.0000683400000000, -0.0005078400000000 ] - [ 0.0000000000000000, 0.0000591600000000, -0.0005069300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003904100000000 ] - [ 0.0000277700000000, 0.0000242800000000, -0.0003266900000000 ] - [ -0.0000277700000000, 0.0000242800000000, -0.0003266900000000 ] - [ -0.0000349100000000, 0.0000119100000000, -0.0003266900000000 ] - [ 0.0000349100000000, 0.0000119100000000, -0.0003266900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004610300000000 ] - [ -0.0000071400000000, -0.0000361900000000, -0.0003266900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004210900000000 ] - [ 0.0000071400000000, -0.0000361900000000, -0.0003266900000000 ] - [ 0.0000000000000000, 0.0008201200000000, 0.0013954800000000 ] - [ -0.0000175400000000, 0.0000101300000000, 0.0006297500000000 ] - [ 0.0000175400000000, 0.0000101300000000, 0.0006297500000000 ] - [ 0.0007102400000000, -0.0004100600000000, 0.0013954800000000 ] - [ -0.0007102400000000, -0.0004100600000000, 0.0013954800000000 ] - [ 0.0000000000000000, 0.0000400300000000, 0.0005781100000000 ] - [ -0.0000346600000000, -0.0000200100000000, 0.0005781100000000 ] - [ 0.0000000000000000, -0.0000202500000000, 0.0006297500000000 ] - [ 0.0000346600000000, -0.0000200100000000, 0.0005781100000000 ] - [ 0.0036759200000000, -0.0021222900000000, 0.0053161800000000 ] - [ 0.0000000000000000, 0.0001547000000000, 0.0007884900000000 ] - [ -0.0036759200000000, -0.0021222900000000, 0.0053161800000000 ] - [ 0.0000000000000000, 0.0042445900000000, 0.0053161800000000 ] - [ -0.0000890600000000, -0.0000514200000000, 0.0007875300000000 ] - [ 0.0000890600000000, -0.0000514200000000, 0.0007875300000000 ] - [ -0.0001339800000000, -0.0000773500000000, 0.0007884900000000 ] - [ 0.0001339800000000, -0.0000773500000000, 0.0007884900000000 ] - [ 0.0000000000000000, 0.0001028400000000, 0.0007875300000000 ] - [ 0.0000000000000000, -0.0000075600000000, 0.0006840500000000 ] - [ 0.0000137400000000, -0.0000079300000000, 0.0006490100000000 ] - [ -0.0000137400000000, -0.0000079300000000, 0.0006490100000000 ] - [ -0.0000065500000000, 0.0000037800000000, 0.0006840500000000 ] - [ 0.0000065500000000, 0.0000037800000000, 0.0006840500000000 ] - [ 0.0000000000000000, 0.0000347100000000, 0.0006911400000000 ] - [ -0.0000300600000000, -0.0000173600000000, 0.0006911400000000 ] - [ 0.0000000000000000, 0.0000158700000000, 0.0006490100000000 ] - [ 0.0000300600000000, -0.0000173600000000, 0.0006911400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0373275600000000 ] - [ 0.0002236400000000, -0.0000608000000000, -0.0013061700000000 ] - [ -0.0002236400000000, -0.0000608000000000, -0.0013061700000000 ] - [ -0.0000591700000000, 0.0002240700000000, -0.0013061700000000 ] - [ 0.0000591700000000, 0.0002240700000000, -0.0013061700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005822000000000 ] - [ 0.0001644700000000, -0.0001632800000000, -0.0013061700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005774300000000 ] - [ -0.0001644700000000, -0.0001632800000000, -0.0013061700000000 ] - [ 0.0000000000000000, -0.0000055400000000, 0.0010565000000000 ] - [ 0.0000050800000000, -0.0000029300000000, 0.0010523700000000 ] - [ -0.0000050800000000, -0.0000029300000000, 0.0010523700000000 ] - [ -0.0000048000000000, 0.0000027700000000, 0.0010565000000000 ] - [ 0.0000048000000000, 0.0000027700000000, 0.0010565000000000 ] - [ 0.0000000000000000, -0.0000004200000000, 0.0010525700000000 ] - [ 0.0000003600000000, 0.0000002100000000, 0.0010525700000000 ] - [ 0.0000000000000000, 0.0000058600000000, 0.0010523700000000 ] - [ -0.0000003600000000, 0.0000002100000000, 0.0010525700000000 ] - [ 0.0000000000000000, -0.0000016400000000, 0.0012901500000000 ] - [ -0.0000001800000000, 0.0000001000000000, 0.0012964200000000 ] - [ 0.0000001800000000, 0.0000001000000000, 0.0012964200000000 ] - [ -0.0000014200000000, 0.0000008200000000, 0.0012901500000000 ] - [ 0.0000014200000000, 0.0000008200000000, 0.0012901500000000 ] - [ 0.0000000000000000, -0.0000024200000000, 0.0012876500000000 ] - [ 0.0000020900000000, 0.0000012100000000, 0.0012876500000000 ] - [ 0.0000000000000000, -0.0000002100000000, 0.0012964200000000 ] - [ -0.0000020900000000, 0.0000012100000000, 0.0012876500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005358600000000 ] - [ -0.0000018200000000, -0.0000048300000000, -0.0005363400000000 ] - [ 0.0000018200000000, -0.0000048300000000, -0.0005363400000000 ] - [ 0.0000050900000000, 0.0000008400000000, -0.0005363400000000 ] - [ -0.0000050900000000, 0.0000008400000000, -0.0005363400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005294000000000 ] - [ 0.0000032700000000, 0.0000039900000000, -0.0005363400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005389500000000 ] - [ -0.0000032700000000, 0.0000039900000000, -0.0005363400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008754300000000 ] - [ -0.0000010900000000, -0.0000026800000000, -0.0008728500000000 ] - [ 0.0000010900000000, -0.0000026800000000, -0.0008728500000000 ] - [ 0.0000028700000000, 0.0000003900000000, -0.0008728500000000 ] - [ -0.0000028700000000, 0.0000003900000000, -0.0008728500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008683300000000 ] - [ 0.0000017700000000, 0.0000022800000000, -0.0008728500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008699600000000 ] - [ -0.0000017700000000, 0.0000022800000000, -0.0008728500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002902400000000 ] - [ -0.0000497100000000, 0.0001037200000000, -0.0002317300000000 ] - [ 0.0000497100000000, 0.0001037200000000, -0.0002317300000000 ] - [ -0.0000649700000000, -0.0000949200000000, -0.0002317300000000 ] - [ 0.0000649700000000, -0.0000949200000000, -0.0002317300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003651500000000 ] - [ -0.0001146800000000, -0.0000088100000000, -0.0002317300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003221100000000 ] - [ 0.0001146800000000, -0.0000088100000000, -0.0002317300000000 ]- atom: 82 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0091165200000000, -0.0085505800000000 ] - [ 0.0004058500000000, -0.0002343200000000, -0.0016049700000000 ] - [ -0.0004058500000000, -0.0002343200000000, -0.0016049700000000 ] - [ 0.0078951400000000, -0.0045582600000000, -0.0085505800000000 ] - [ -0.0078951400000000, -0.0045582600000000, -0.0085505800000000 ] - [ 0.0000000000000000, -0.0000704700000000, -0.0011951800000000 ] - [ 0.0000610200000000, 0.0000352300000000, -0.0011951800000000 ] - [ 0.0000000000000000, 0.0004686300000000, -0.0016049700000000 ] - [ -0.0000610200000000, 0.0000352300000000, -0.0011951800000000 ] - [ -0.0000951800000000, 0.0000549500000000, 0.0002712900000000 ] - [ 0.0000000000000000, 0.0000559800000000, 0.0001636400000000 ] - [ 0.0000951800000000, 0.0000549500000000, 0.0002712900000000 ] - [ 0.0000000000000000, -0.0001099100000000, 0.0002712900000000 ] - [ -0.0002879900000000, -0.0001662700000000, 0.0003529900000000 ] - [ 0.0002879900000000, -0.0001662700000000, 0.0003529900000000 ] - [ -0.0000484800000000, -0.0000279900000000, 0.0001636400000000 ] - [ 0.0000484800000000, -0.0000279900000000, 0.0001636400000000 ] - [ 0.0000000000000000, 0.0003325400000000, 0.0003529900000000 ] - [ -0.0000221900000000, 0.0000128100000000, -0.0004486300000000 ] - [ 0.0000000000000000, 0.0000382800000000, -0.0004270500000000 ] - [ 0.0000221900000000, 0.0000128100000000, -0.0004486300000000 ] - [ 0.0000000000000000, -0.0000256200000000, -0.0004486300000000 ] - [ 0.0000093300000000, 0.0000053900000000, -0.0004593500000000 ] - [ -0.0000093300000000, 0.0000053900000000, -0.0004593500000000 ] - [ -0.0000331500000000, -0.0000191400000000, -0.0004270500000000 ] - [ 0.0000331500000000, -0.0000191400000000, -0.0004270500000000 ] - [ 0.0000000000000000, -0.0000107700000000, -0.0004593500000000 ] - [ -0.0000116000000000, 0.0000067000000000, -0.0004444600000000 ] - [ 0.0000000000000000, 0.0000178700000000, -0.0004382500000000 ] - [ 0.0000116000000000, 0.0000067000000000, -0.0004444600000000 ] - [ 0.0000000000000000, -0.0000133900000000, -0.0004444600000000 ] - [ 0.0000071800000000, 0.0000041500000000, -0.0004584500000000 ] - [ -0.0000071800000000, 0.0000041500000000, -0.0004584500000000 ] - [ -0.0000154800000000, -0.0000089400000000, -0.0004382500000000 ] - [ 0.0000154800000000, -0.0000089400000000, -0.0004382500000000 ] - [ 0.0000000000000000, -0.0000082900000000, -0.0004584500000000 ] - [ 0.0000163600000000, -0.0000094500000000, -0.0002676800000000 ] - [ 0.0000000000000000, -0.0000159700000000, -0.0002999700000000 ] - [ -0.0000163600000000, -0.0000094500000000, -0.0002676800000000 ] - [ 0.0000000000000000, 0.0000189000000000, -0.0002676800000000 ] - [ 0.0000859800000000, 0.0000496400000000, -0.0003334400000000 ] - [ -0.0000859800000000, 0.0000496400000000, -0.0003334400000000 ] - [ 0.0000138300000000, 0.0000079900000000, -0.0002999700000000 ] - [ -0.0000138300000000, 0.0000079900000000, -0.0002999700000000 ] - [ 0.0000000000000000, -0.0000992800000000, -0.0003334400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004517700000000 ] - [ -0.0000346000000000, -0.0000335100000000, -0.0005139700000000 ] - [ 0.0000346000000000, -0.0000335100000000, -0.0005139700000000 ] - [ 0.0000463200000000, -0.0000132100000000, -0.0005139700000000 ] - [ -0.0000463200000000, -0.0000132100000000, -0.0005139700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003783000000000 ] - [ 0.0000117200000000, 0.0000467200000000, -0.0005139700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004206700000000 ] - [ -0.0000117200000000, 0.0000467200000000, -0.0005139700000000 ] - [ 0.0000000000000000, -0.0008492000000000, -0.0001382900000000 ] - [ 0.0000203000000000, -0.0000117200000000, 0.0006548700000000 ] - [ -0.0000203000000000, -0.0000117200000000, 0.0006548700000000 ] - [ -0.0007354300000000, 0.0004246000000000, -0.0001382900000000 ] - [ 0.0007354300000000, 0.0004246000000000, -0.0001382900000000 ] - [ 0.0000000000000000, -0.0000413600000000, 0.0007076700000000 ] - [ 0.0000358200000000, 0.0000206800000000, 0.0007076700000000 ] - [ 0.0000000000000000, 0.0000234400000000, 0.0006548700000000 ] - [ -0.0000358200000000, 0.0000206800000000, 0.0007076700000000 ] - [ -0.0036302600000000, 0.0020959300000000, -0.0030142300000000 ] - [ 0.0000000000000000, -0.0001440400000000, 0.0014466600000000 ] - [ 0.0036302600000000, 0.0020959300000000, -0.0030142300000000 ] - [ 0.0000000000000000, -0.0041918700000000, -0.0030142300000000 ] - [ 0.0000901500000000, 0.0000520500000000, 0.0014551100000000 ] - [ -0.0000901500000000, 0.0000520500000000, 0.0014551100000000 ] - [ 0.0001247500000000, 0.0000720200000000, 0.0014466600000000 ] - [ -0.0001247500000000, 0.0000720200000000, 0.0014466600000000 ] - [ 0.0000000000000000, -0.0001040900000000, 0.0014551100000000 ] - [ 0.0000000000000000, -0.0000043400000000, 0.0005531900000000 ] - [ -0.0000028900000000, 0.0000016700000000, 0.0005862300000000 ] - [ 0.0000028900000000, 0.0000016700000000, 0.0005862300000000 ] - [ -0.0000037600000000, 0.0000021700000000, 0.0005531900000000 ] - [ 0.0000037600000000, 0.0000021700000000, 0.0005531900000000 ] - [ 0.0000000000000000, -0.0000351200000000, 0.0005442500000000 ] - [ 0.0000304100000000, 0.0000175600000000, 0.0005442500000000 ] - [ 0.0000000000000000, -0.0000033300000000, 0.0005862300000000 ] - [ -0.0000304100000000, 0.0000175600000000, 0.0005442500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0359662400000000 ] - [ -0.0002466800000000, 0.0000568000000000, 0.0003717800000000 ] - [ 0.0002466800000000, 0.0000568000000000, 0.0003717800000000 ] - [ 0.0000741500000000, -0.0002420300000000, 0.0003717800000000 ] - [ -0.0000741500000000, -0.0002420300000000, 0.0003717800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003635400000000 ] - [ -0.0001725300000000, 0.0001852300000000, 0.0003717800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003587900000000 ] - [ 0.0001725300000000, 0.0001852300000000, 0.0003717800000000 ] - [ 0.0000000000000000, -0.0000036900000000, 0.0009425500000000 ] - [ 0.0000034100000000, -0.0000019700000000, 0.0009382700000000 ] - [ -0.0000034100000000, -0.0000019700000000, 0.0009382700000000 ] - [ -0.0000032000000000, 0.0000018500000000, 0.0009425500000000 ] - [ 0.0000032000000000, 0.0000018500000000, 0.0009425500000000 ] - [ 0.0000000000000000, 0.0000002700000000, 0.0009374700000000 ] - [ -0.0000002400000000, -0.0000001400000000, 0.0009374700000000 ] - [ 0.0000000000000000, 0.0000039400000000, 0.0009382700000000 ] - [ 0.0000002400000000, -0.0000001400000000, 0.0009374700000000 ] - [ 0.0000000000000000, -0.0000025000000000, 0.0011798400000000 ] - [ 0.0000039500000000, -0.0000022800000000, 0.0011680300000000 ] - [ -0.0000039500000000, -0.0000022800000000, 0.0011680300000000 ] - [ -0.0000021600000000, 0.0000012500000000, 0.0011798400000000 ] - [ 0.0000021600000000, 0.0000012500000000, 0.0011798400000000 ] - [ 0.0000000000000000, 0.0000022800000000, 0.0011766000000000 ] - [ -0.0000019700000000, -0.0000011400000000, 0.0011766000000000 ] - [ 0.0000000000000000, 0.0000045600000000, 0.0011680300000000 ] - [ 0.0000019700000000, -0.0000011400000000, 0.0011766000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006526600000000 ] - [ -0.0000031800000000, -0.0000026500000000, -0.0006463900000000 ] - [ 0.0000031800000000, -0.0000026500000000, -0.0006463900000000 ] - [ 0.0000038800000000, -0.0000014300000000, -0.0006463900000000 ] - [ -0.0000038800000000, -0.0000014300000000, -0.0006463900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006452500000000 ] - [ 0.0000007000000000, 0.0000040800000000, -0.0006463900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006463300000000 ] - [ -0.0000007000000000, 0.0000040800000000, -0.0006463900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009850700000000 ] - [ -0.0000002800000000, -0.0000006800000000, -0.0009825200000000 ] - [ 0.0000002800000000, -0.0000006800000000, -0.0009825200000000 ] - [ 0.0000007300000000, 0.0000001000000000, -0.0009825200000000 ] - [ -0.0000007300000000, 0.0000001000000000, -0.0009825200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009793800000000 ] - [ 0.0000004500000000, 0.0000005800000000, -0.0009825200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009881000000000 ] - [ -0.0000004500000000, 0.0000005800000000, -0.0009825200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003552400000000 ] - [ 0.0000504000000000, -0.0001088400000000, -0.0004172500000000 ] - [ -0.0000504000000000, -0.0001088400000000, -0.0004172500000000 ] - [ 0.0000690600000000, 0.0000980600000000, -0.0004172500000000 ] - [ -0.0000690600000000, 0.0000980600000000, -0.0004172500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002820200000000 ] - [ 0.0001194600000000, 0.0000107800000000, -0.0004172500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003234400000000 ] - [ -0.0001194600000000, 0.0000107800000000, -0.0004172500000000 ]- atom: 91 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000025700000000, -0.0000000300000000, -0.0005881000000000 ] - [ 0.0000589700000000, -0.0000007300000000, -0.0005196800000000 ] - [ -0.0000616500000000, 0.0000011500000000, -0.0005228500000000 ] - [ -0.0000300000000000, 0.0000528900000000, -0.0005231900000000 ] - [ 0.0000307200000000, 0.0000511200000000, -0.0005194600000000 ] - [ -0.0000000200000000, -0.0000001100000000, -0.0004967400000000 ] - [ 0.0000310400000000, -0.0000507100000000, -0.0005215600000000 ] - [ -0.0000014400000000, 0.0000001100000000, -0.0004974600000000 ] - [ -0.0000288500000000, -0.0000537100000000, -0.0005210000000000 ] - [ -0.0000027400000000, -0.0000032600000000, 0.0001751500000000 ] - [ -0.0000020200000000, 0.0000315000000000, 0.0001791000000000 ] - [ 0.0000050400000000, -0.0000007800000000, 0.0001784200000000 ] - [ -0.0000022300000000, -0.0000372800000000, 0.0001742900000000 ] - [ 0.0000286500000000, -0.0000177700000000, 0.0001777400000000 ] - [ -0.0000255300000000, -0.0000136700000000, 0.0001803800000000 ] - [ -0.0000333800000000, 0.0000179800000000, 0.0001738200000000 ] - [ 0.0000309900000000, 0.0000191500000000, 0.0001749500000000 ] - [ 0.0000032800000000, 0.0000045100000000, 0.0001768600000000 ] - [ 0.0065224900000000, 0.0031427100000000, -0.0061530300000000 ] - [ -0.0012307100000000, 0.0000475400000000, -0.0005600500000000 ] - [ 0.0062905500000000, -0.0029510100000000, 0.0047026700000000 ] - [ 0.0004275200000000, -0.0000655700000000, -0.0005216500000000 ] - [ -0.0001678800000000, -0.0006135300000000, -0.0006265700000000 ] - [ -0.0002605900000000, 0.0005601900000000, -0.0005070400000000 ] - [ -0.0009330700000000, 0.0007897000000000, -0.0004418900000000 ] - [ -0.0008206600000000, -0.0007164600000000, -0.0006027300000000 ] - [ 0.0011302600000000, 0.0000264300000000, -0.0005748700000000 ] - [ 0.0000463700000000, -0.0000670800000000, -0.0006176500000000 ] - [ -0.0001103600000000, 0.0000325100000000, -0.0005722800000000 ] - [ 0.0000599600000000, 0.0000610300000000, -0.0005123000000000 ] - [ -0.0000111000000000, -0.0000415600000000, -0.0005432100000000 ] - [ 0.0000309500000000, -0.0000820100000000, -0.0006243600000000 ] - [ -0.0000250400000000, 0.0000488300000000, -0.0005192100000000 ] - [ -0.0002471400000000, 0.0001366100000000, -0.0005992900000000 ] - [ -0.0001766800000000, -0.0000952600000000, -0.0004875900000000 ] - [ 0.0001641000000000, 0.0000075000000000, -0.0005642400000000 ] - [ 0.0000446900000000, -0.0000494900000000, -0.0004370800000000 ] - [ -0.0001372900000000, 0.0000745100000000, -0.0004180400000000 ] - [ 0.0000677800000000, 0.0000365000000000, -0.0004170000000000 ] - [ -0.0000570700000000, -0.0001064200000000, -0.0003980700000000 ] - [ 0.0001063700000000, -0.0001404000000000, -0.0005058900000000 ] - [ -0.0000223600000000, 0.0000666400000000, -0.0003302600000000 ] - [ -0.0001561600000000, 0.0000569800000000, -0.0003401000000000 ] - [ 0.0000283800000000, 0.0000491300000000, -0.0004557400000000 ] - [ 0.0001307100000000, 0.0000131400000000, -0.0004269300000000 ] - [ 0.0000228400000000, -0.0000015100000000, -0.0004199300000000 ] - [ -0.0000287400000000, 0.0000292500000000, -0.0004344800000000 ] - [ -0.0000112100000000, -0.0000390100000000, -0.0004025700000000 ] - [ 0.0000502200000000, 0.0000112200000000, -0.0004571500000000 ] - [ 0.0000335400000000, -0.0000015300000000, -0.0003832100000000 ] - [ -0.0000791000000000, 0.0000101400000000, -0.0004187000000000 ] - [ -0.0000148400000000, 0.0000218800000000, -0.0004366400000000 ] - [ 0.0000308400000000, -0.0000094800000000, -0.0004201000000000 ] - [ -0.0000119700000000, -0.0000199700000000, -0.0004033000000000 ] - [ -0.0000003900000000, -0.0000001500000000, 0.0006402500000000 ] - [ 0.0000034500000000, -0.0000008900000000, 0.0006413600000000 ] - [ -0.0000010700000000, 0.0000002800000000, 0.0006404900000000 ] - [ -0.0000017800000000, 0.0000010600000000, 0.0006408100000000 ] - [ 0.0000002300000000, 0.0000026700000000, 0.0006410400000000 ] - [ 0.0000029900000000, -0.0000001700000000, 0.0006427600000000 ] - [ 0.0000012700000000, -0.0000030200000000, 0.0006412400000000 ] - [ 0.0000008700000000, -0.0000001300000000, 0.0006425800000000 ] - [ -0.0000012500000000, -0.0000009900000000, 0.0006406000000000 ] - [ -0.0000018500000000, -0.0000003000000000, 0.0011203400000000 ] - [ -0.0000000100000000, 0.0000084400000000, 0.0011205300000000 ] - [ 0.0000007200000000, -0.0000008700000000, 0.0011231800000000 ] - [ 0.0000016700000000, -0.0000080000000000, 0.0011154700000000 ] - [ 0.0000060300000000, -0.0000033400000000, 0.0011187600000000 ] - [ -0.0000083100000000, -0.0000046300000000, 0.0011222800000000 ] - [ -0.0000067500000000, 0.0000051400000000, 0.0011143700000000 ] - [ 0.0000073600000000, 0.0000035600000000, 0.0011166900000000 ] - [ -0.0000010500000000, 0.0000016400000000, 0.0011217400000000 ] - [ -0.0000309900000000, -0.0000001100000000, 0.0006204700000000 ] - [ 0.0000590800000000, 0.0000327700000000, 0.0005604600000000 ] - [ 0.0000380600000000, -0.0000339900000000, 0.0006760900000000 ] - [ -0.0000330300000000, 0.0000055700000000, 0.0005585500000000 ] - [ -0.0000234000000000, 0.0000127300000000, 0.0006780700000000 ] - [ -0.0000333900000000, -0.0000002900000000, 0.0006175900000000 ] - [ -0.0000161300000000, -0.0000906900000000, 0.0005003000000000 ] - [ 0.0000372200000000, -0.0000002000000000, 0.0006172200000000 ] - [ -0.0000275200000000, 0.0000720800000000, 0.0007354800000000 ] - [ -0.0000015600000000, -0.0000018900000000, -0.0004657500000000 ] - [ -0.0000059100000000, -0.0000038100000000, -0.0004735300000000 ] - [ 0.0000070100000000, -0.0000041100000000, -0.0004720100000000 ] - [ 0.0000079300000000, 0.0000032000000000, -0.0004668100000000 ] - [ -0.0000068100000000, 0.0000050200000000, -0.0004676500000000 ] - [ 0.0000002800000000, 0.0000072500000000, -0.0004728300000000 ] - [ -0.0000018800000000, 0.0000000200000000, -0.0004665900000000 ] - [ 0.0000021400000000, -0.0000086700000000, -0.0004672400000000 ] - [ 0.0000011200000000, 0.0000013900000000, -0.0004649100000000 ] - [ -0.0284909900000000, -0.0001841100000000, 0.0012616100000000 ] - [ 0.0058435700000000, -0.0003987500000000, 0.0012338400000000 ] - [ 0.0057319600000000, 0.0003903100000000, 0.0007658700000000 ] - [ 0.0010138300000000, -0.0031308200000000, 0.0008485000000000 ] - [ 0.0010238400000000, 0.0031644900000000, 0.0011504500000000 ] - [ 0.0000537900000000, 0.0000006100000000, 0.0009910700000000 ] - [ 0.0010196900000000, -0.0023706100000000, 0.0010780800000000 ] - [ 0.0000537000000000, -0.0000003800000000, 0.0009915600000000 ] - [ 0.0010179800000000, 0.0023466300000000, 0.0009121000000000 ] - [ -0.0000310700000000, -0.0000002500000000, 0.0012378000000000 ] - [ 0.0000515900000000, 0.0000404400000000, 0.0012892900000000 ] - [ 0.0000444600000000, -0.0000404700000000, 0.0011774700000000 ] - [ -0.0000238500000000, -0.0000039300000000, 0.0012341200000000 ] - [ -0.0000200400000000, 0.0000103700000000, 0.0012327400000000 ] - [ 0.0000371200000000, -0.0000000800000000, 0.0012290100000000 ] - [ -0.0000263700000000, -0.0000809300000000, 0.0012901100000000 ] - [ -0.0000331600000000, -0.0000004100000000, 0.0012297300000000 ] - [ -0.0000300000000000, 0.0000735600000000, 0.0011769200000000 ] - [ -0.0021517400000000, -0.0000072500000000, -0.0005882400000000 ] - [ -0.0003172600000000, -0.0000463700000000, -0.0004920400000000 ] - [ -0.0002954700000000, 0.0000351400000000, -0.0006788000000000 ] - [ 0.0001341700000000, -0.0001186300000000, -0.0004648100000000 ] - [ 0.0001207000000000, 0.0001274000000000, -0.0007193800000000 ] - [ -0.0002357700000000, 0.0000065500000000, -0.0005877100000000 ] - [ 0.0016580700000000, -0.0022113300000000, -0.0042618800000000 ] - [ 0.0003405000000000, -0.0000086900000000, -0.0005935500000000 ] - [ 0.0016655400000000, 0.0021922700000000, 0.0030508100000000 ] - [ -0.0000552400000000, 0.0000008600000000, -0.0009290900000000 ] - [ 0.0000064000000000, 0.0000144100000000, -0.0009103800000000 ] - [ 0.0000120600000000, -0.0000173100000000, -0.0009356900000000 ] - [ 0.0000268400000000, -0.0000755200000000, -0.0009651500000000 ] - [ 0.0000219600000000, 0.0000788500000000, -0.0008915900000000 ] - [ -0.0000182400000000, 0.0000033800000000, -0.0009230700000000 ] - [ 0.0005200200000000, -0.0003332400000000, -0.0002231100000000 ] - [ 0.0001580800000000, -0.0000029900000000, -0.0009277700000000 ] - [ 0.0005125200000000, 0.0003267100000000, -0.0016225600000000 ] - [ -0.0000014000000000, 0.0000014100000000, -0.0003223700000000 ] - [ -0.0000022000000000, 0.0000008700000000, -0.0003221000000000 ] - [ 0.0000027100000000, -0.0000034700000000, -0.0003261300000000 ] - [ 0.0000013800000000, -0.0000005400000000, -0.0003206200000000 ] - [ -0.0000006800000000, 0.0000019800000000, -0.0003249500000000 ] - [ -0.0000035000000000, 0.0000029500000000, -0.0003241100000000 ] - [ 0.0000004500000000, -0.0000009800000000, -0.0003220000000000 ] - [ 0.0000025500000000, -0.0000011000000000, -0.0003228000000000 ] - [ -0.0000018100000000, -0.0000001300000000, -0.0003227700000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0006997700000000 ] - [ 0.0000599800000000, 0.0000012900000000, -0.0006332700000000 ] - [ -0.0000599800000000, 0.0000012900000000, -0.0006332700000000 ] - [ -0.0000311000000000, 0.0000513000000000, -0.0006332700000000 ] - [ 0.0000311000000000, 0.0000513000000000, -0.0006332700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006076900000000 ] - [ 0.0000288700000000, -0.0000525900000000, -0.0006332700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006095400000000 ] - [ -0.0000288700000000, -0.0000525900000000, -0.0006332700000000 ] - [ -0.0000017400000000, -0.0000010000000000, 0.0000644600000000 ] - [ 0.0000000000000000, 0.0000376600000000, 0.0000654200000000 ] - [ 0.0000017400000000, -0.0000010000000000, 0.0000644600000000 ] - [ 0.0000000000000000, -0.0000372100000000, 0.0000634400000000 ] - [ 0.0000326200000000, -0.0000188300000000, 0.0000654200000000 ] - [ -0.0000326200000000, -0.0000188300000000, 0.0000654200000000 ] - [ -0.0000322300000000, 0.0000186100000000, 0.0000634400000000 ] - [ 0.0000322300000000, 0.0000186100000000, 0.0000634400000000 ] - [ 0.0000000000000000, 0.0000020100000000, 0.0000644600000000 ] - [ -0.0079500300000000, -0.0045899500000000, 0.0074501300000000 ] - [ 0.0000000000000000, -0.0000276900000000, 0.0001047900000000 ] - [ 0.0079500300000000, -0.0045899500000000, 0.0074501300000000 ] - [ 0.0000000000000000, 0.0003821900000000, 0.0005762200000000 ] - [ -0.0000239800000000, 0.0000138400000000, 0.0001047900000000 ] - [ 0.0000239800000000, 0.0000138400000000, 0.0001047900000000 ] - [ 0.0003309900000000, -0.0001910900000000, 0.0005762200000000 ] - [ -0.0003309900000000, -0.0001910900000000, 0.0005762200000000 ] - [ 0.0000000000000000, 0.0091799000000000, 0.0074501300000000 ] - [ -0.0000964800000000, -0.0000557000000000, -0.0006757700000000 ] - [ 0.0000000000000000, 0.0000078600000000, -0.0005551200000000 ] - [ 0.0000964800000000, -0.0000557000000000, -0.0006757700000000 ] - [ 0.0000000000000000, -0.0003868600000000, -0.0007084000000000 ] - [ 0.0000068000000000, -0.0000039300000000, -0.0005551200000000 ] - [ -0.0000068000000000, -0.0000039300000000, -0.0005551200000000 ] - [ -0.0003350300000000, 0.0001934300000000, -0.0007084000000000 ] - [ 0.0003350300000000, 0.0001934300000000, -0.0007084000000000 ] - [ 0.0000000000000000, 0.0001114100000000, -0.0006757700000000 ] - [ 0.0000215800000000, 0.0000124600000000, -0.0005647200000000 ] - [ 0.0000000000000000, 0.0001669900000000, -0.0005381600000000 ] - [ -0.0000215800000000, 0.0000124600000000, -0.0005647200000000 ] - [ 0.0000000000000000, -0.0000664000000000, -0.0004796100000000 ] - [ 0.0001446200000000, -0.0000835000000000, -0.0005381600000000 ] - [ -0.0001446200000000, -0.0000835000000000, -0.0005381600000000 ] - [ -0.0000575000000000, 0.0000332000000000, -0.0004796100000000 ] - [ 0.0000575000000000, 0.0000332000000000, -0.0004796100000000 ] - [ 0.0000000000000000, -0.0000249100000000, -0.0005647200000000 ] - [ 0.0000000000000000, -0.0000209600000000, -0.0003620800000000 ] - [ -0.0000239600000000, -0.0000138400000000, -0.0003611700000000 ] - [ 0.0000239600000000, -0.0000138400000000, -0.0003611700000000 ] - [ -0.0000289700000000, -0.0000167300000000, -0.0003640900000000 ] - [ 0.0000289700000000, -0.0000167300000000, -0.0003640900000000 ] - [ 0.0000000000000000, 0.0000276700000000, -0.0003611700000000 ] - [ -0.0000181500000000, 0.0000104800000000, -0.0003620800000000 ] - [ 0.0000000000000000, 0.0000334600000000, -0.0003640900000000 ] - [ 0.0000181500000000, 0.0000104800000000, -0.0003620800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006950300000000 ] - [ 0.0000026900000000, -0.0000009100000000, 0.0006955900000000 ] - [ -0.0000026900000000, -0.0000009100000000, 0.0006955900000000 ] - [ -0.0000005600000000, 0.0000027800000000, 0.0006955900000000 ] - [ 0.0000005600000000, 0.0000027800000000, 0.0006955900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007016900000000 ] - [ 0.0000021300000000, -0.0000018800000000, 0.0006955900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006982100000000 ] - [ -0.0000021300000000, -0.0000018800000000, 0.0006955900000000 ] - [ -0.0000013500000000, -0.0000007800000000, 0.0011753800000000 ] - [ 0.0000000000000000, 0.0000091200000000, 0.0011750800000000 ] - [ 0.0000013500000000, -0.0000007800000000, 0.0011753800000000 ] - [ 0.0000000000000000, -0.0000079700000000, 0.0011716200000000 ] - [ 0.0000079000000000, -0.0000045600000000, 0.0011750800000000 ] - [ -0.0000079000000000, -0.0000045600000000, 0.0011750800000000 ] - [ -0.0000069000000000, 0.0000039800000000, 0.0011716200000000 ] - [ 0.0000069000000000, 0.0000039800000000, 0.0011716200000000 ] - [ 0.0000000000000000, 0.0000015600000000, 0.0011753800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006595300000000 ] - [ -0.0000455900000000, -0.0000336200000000, 0.0007087800000000 ] - [ 0.0000455900000000, -0.0000336200000000, 0.0007087800000000 ] - [ 0.0000519100000000, -0.0000226700000000, 0.0007087800000000 ] - [ -0.0000519100000000, -0.0000226700000000, 0.0007087800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005736700000000 ] - [ 0.0000063200000000, 0.0000562900000000, 0.0007087800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006157800000000 ] - [ -0.0000063200000000, 0.0000562900000000, 0.0007087800000000 ] - [ 0.0000000000000000, -0.0000013100000000, -0.0004089200000000 ] - [ -0.0000067800000000, -0.0000039100000000, -0.0004159200000000 ] - [ 0.0000067800000000, -0.0000039100000000, -0.0004159200000000 ] - [ 0.0000074600000000, 0.0000043100000000, -0.0004098100000000 ] - [ -0.0000074600000000, 0.0000043100000000, -0.0004098100000000 ] - [ 0.0000000000000000, 0.0000078300000000, -0.0004159200000000 ] - [ -0.0000011400000000, 0.0000006600000000, -0.0004089200000000 ] - [ 0.0000000000000000, -0.0000086100000000, -0.0004098100000000 ] - [ 0.0000011400000000, 0.0000006600000000, -0.0004089200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0354161900000000 ] - [ -0.0002347600000000, 0.0000408300000000, 0.0001408800000000 ] - [ 0.0002347600000000, 0.0000408300000000, 0.0001408800000000 ] - [ 0.0000820200000000, -0.0002237200000000, 0.0001408800000000 ] - [ -0.0000820200000000, -0.0002237200000000, 0.0001408800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008742100000000 ] - [ -0.0001527400000000, 0.0001828900000000, 0.0001408800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008754500000000 ] - [ 0.0001527400000000, 0.0001828900000000, 0.0001408800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012766000000000 ] - [ 0.0000621100000000, 0.0001035500000000, 0.0013246900000000 ] - [ -0.0000621100000000, 0.0001035500000000, 0.0013246900000000 ] - [ -0.0001207400000000, 0.0000020100000000, 0.0013246900000000 ] - [ 0.0001207400000000, 0.0000020100000000, 0.0013246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012269500000000 ] - [ -0.0000586200000000, -0.0001055700000000, 0.0013246900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011848200000000 ] - [ 0.0000586200000000, -0.0001055700000000, 0.0013246900000000 ] - [ 0.0000000000000000, -0.0041912000000000, 0.0035476000000000 ] - [ 0.0000856300000000, 0.0000494400000000, -0.0009155800000000 ] - [ -0.0000856300000000, 0.0000494400000000, -0.0009155800000000 ] - [ 0.0001342300000000, 0.0000775000000000, -0.0009312300000000 ] - [ -0.0001342300000000, 0.0000775000000000, -0.0009312300000000 ] - [ 0.0000000000000000, -0.0000988700000000, -0.0009155800000000 ] - [ -0.0036296800000000, 0.0020956000000000, 0.0035476000000000 ] - [ 0.0000000000000000, -0.0001550000000000, -0.0009312300000000 ] - [ 0.0036296800000000, 0.0020956000000000, 0.0035476000000000 ] - [ 0.0000000000000000, 0.0008213700000000, -0.0001282700000000 ] - [ 0.0000098900000000, 0.0000057100000000, -0.0009332100000000 ] - [ -0.0000098900000000, 0.0000057100000000, -0.0009332100000000 ] - [ -0.0000345300000000, -0.0000199400000000, -0.0010029500000000 ] - [ 0.0000345300000000, -0.0000199400000000, -0.0010029500000000 ] - [ 0.0000000000000000, -0.0000114200000000, -0.0009332100000000 ] - [ 0.0007113300000000, -0.0004106900000000, -0.0001282700000000 ] - [ 0.0000000000000000, 0.0000398800000000, -0.0010029500000000 ] - [ -0.0007113300000000, -0.0004106900000000, -0.0001282700000000 ] - [ 0.0000000000000000, 0.0000017600000000, -0.0002676300000000 ] - [ -0.0000003900000000, -0.0000002300000000, -0.0002606600000000 ] - [ 0.0000003900000000, -0.0000002300000000, -0.0002606600000000 ] - [ 0.0000033000000000, 0.0000019000000000, -0.0002671000000000 ] - [ -0.0000033000000000, 0.0000019000000000, -0.0002671000000000 ] - [ 0.0000000000000000, 0.0000004500000000, -0.0002606600000000 ] - [ 0.0000015200000000, -0.0000008800000000, -0.0002676300000000 ] - [ 0.0000000000000000, -0.0000038100000000, -0.0002671000000000 ] - [ -0.0000015200000000, -0.0000008800000000, -0.0002676300000000 ]- atom: 91 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004779100000000 ] - [ 0.0000605100000000, -0.0000009200000000, -0.0004110700000000 ] - [ -0.0000605100000000, -0.0000009200000000, -0.0004110700000000 ] - [ -0.0000294600000000, 0.0000528600000000, -0.0004110700000000 ] - [ 0.0000294600000000, 0.0000528600000000, -0.0004110700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003875600000000 ] - [ 0.0000310500000000, -0.0000519400000000, -0.0004110700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003871700000000 ] - [ -0.0000310500000000, -0.0000519400000000, -0.0004110700000000 ] - [ -0.0000058500000000, -0.0000033800000000, 0.0002884700000000 ] - [ 0.0000000000000000, 0.0000252400000000, 0.0002920800000000 ] - [ 0.0000058500000000, -0.0000033800000000, 0.0002884700000000 ] - [ 0.0000000000000000, -0.0000372300000000, 0.0002847400000000 ] - [ 0.0000218600000000, -0.0000126200000000, 0.0002920800000000 ] - [ -0.0000218600000000, -0.0000126200000000, 0.0002920800000000 ] - [ -0.0000322400000000, 0.0000186100000000, 0.0002847400000000 ] - [ 0.0000322400000000, 0.0000186100000000, 0.0002847400000000 ] - [ 0.0000000000000000, 0.0000067600000000, 0.0002884700000000 ] - [ 0.0081694500000000, 0.0047166300000000, -0.0087050700000000 ] - [ 0.0000000000000000, 0.0001333700000000, -0.0012404900000000 ] - [ -0.0081694500000000, 0.0047166300000000, -0.0087050700000000 ] - [ 0.0000000000000000, -0.0005131600000000, -0.0016267600000000 ] - [ 0.0001155000000000, -0.0000666800000000, -0.0012404900000000 ] - [ -0.0001155000000000, -0.0000666800000000, -0.0012404900000000 ] - [ -0.0004444100000000, 0.0002565800000000, -0.0016267600000000 ] - [ 0.0004444100000000, 0.0002565800000000, -0.0016267600000000 ] - [ 0.0000000000000000, -0.0094332700000000, -0.0087050700000000 ] - [ 0.0000816400000000, 0.0000471300000000, -0.0004547100000000 ] - [ 0.0000000000000000, 0.0000568600000000, -0.0005858400000000 ] - [ -0.0000816400000000, 0.0000471300000000, -0.0004547100000000 ] - [ 0.0000000000000000, 0.0002963800000000, -0.0003797400000000 ] - [ 0.0000492500000000, -0.0000284300000000, -0.0005858400000000 ] - [ -0.0000492500000000, -0.0000284300000000, -0.0005858400000000 ] - [ 0.0002566700000000, -0.0001481900000000, -0.0003797400000000 ] - [ -0.0002566700000000, -0.0001481900000000, -0.0003797400000000 ] - [ 0.0000000000000000, -0.0000942700000000, -0.0004547100000000 ] - [ -0.0000442900000000, -0.0000255700000000, -0.0002900300000000 ] - [ 0.0000000000000000, -0.0000186900000000, -0.0002985900000000 ] - [ 0.0000442900000000, -0.0000255700000000, -0.0002900300000000 ] - [ 0.0000000000000000, -0.0001466400000000, -0.0003170700000000 ] - [ -0.0000161900000000, 0.0000093500000000, -0.0002985900000000 ] - [ 0.0000161900000000, 0.0000093500000000, -0.0002985900000000 ] - [ -0.0001270000000000, 0.0000733200000000, -0.0003170700000000 ] - [ 0.0001270000000000, 0.0000733200000000, -0.0003170700000000 ] - [ 0.0000000000000000, 0.0000511400000000, -0.0002900300000000 ] - [ 0.0000000000000000, 0.0000176600000000, -0.0004778800000000 ] - [ 0.0000065800000000, 0.0000038000000000, -0.0004762400000000 ] - [ -0.0000065800000000, 0.0000038000000000, -0.0004762400000000 ] - [ 0.0000457900000000, 0.0000264400000000, -0.0004764700000000 ] - [ -0.0000457900000000, 0.0000264400000000, -0.0004764700000000 ] - [ 0.0000000000000000, -0.0000076000000000, -0.0004762400000000 ] - [ 0.0000153000000000, -0.0000088300000000, -0.0004778800000000 ] - [ 0.0000000000000000, -0.0000528700000000, -0.0004764700000000 ] - [ -0.0000153000000000, -0.0000088300000000, -0.0004778800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005870500000000 ] - [ 0.0000018200000000, 0.0000006300000000, 0.0005877200000000 ] - [ -0.0000018200000000, 0.0000006300000000, 0.0005877200000000 ] - [ -0.0000014600000000, 0.0000012600000000, 0.0005877200000000 ] - [ 0.0000014600000000, 0.0000012600000000, 0.0005877200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005855100000000 ] - [ 0.0000003600000000, -0.0000018900000000, 0.0005877200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005883800000000 ] - [ -0.0000003600000000, -0.0000018900000000, 0.0005877200000000 ] - [ -0.0000012100000000, -0.0000007000000000, 0.0010695900000000 ] - [ 0.0000000000000000, 0.0000074600000000, 0.0010674900000000 ] - [ 0.0000012100000000, -0.0000007000000000, 0.0010695900000000 ] - [ 0.0000000000000000, -0.0000086200000000, 0.0010609900000000 ] - [ 0.0000064600000000, -0.0000037300000000, 0.0010674900000000 ] - [ -0.0000064600000000, -0.0000037300000000, 0.0010674900000000 ] - [ -0.0000074600000000, 0.0000043100000000, 0.0010609900000000 ] - [ 0.0000074600000000, 0.0000043100000000, 0.0010609900000000 ] - [ 0.0000000000000000, 0.0000013900000000, 0.0010695900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005829500000000 ] - [ 0.0000669800000000, 0.0000329000000000, 0.0005283800000000 ] - [ -0.0000669800000000, 0.0000329000000000, 0.0005283800000000 ] - [ -0.0000619900000000, 0.0000415600000000, 0.0005283800000000 ] - [ 0.0000619900000000, 0.0000415600000000, 0.0005283800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006630800000000 ] - [ 0.0000050000000000, -0.0000744600000000, 0.0005283800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006200100000000 ] - [ -0.0000050000000000, -0.0000744600000000, 0.0005283800000000 ] - [ 0.0000000000000000, -0.0000022000000000, -0.0005228100000000 ] - [ -0.0000060300000000, -0.0000034800000000, -0.0005299900000000 ] - [ 0.0000060300000000, -0.0000034800000000, -0.0005299900000000 ] - [ 0.0000072400000000, 0.0000041800000000, -0.0005248400000000 ] - [ -0.0000072400000000, 0.0000041800000000, -0.0005248400000000 ] - [ 0.0000000000000000, 0.0000069600000000, -0.0005299900000000 ] - [ -0.0000019100000000, 0.0000011000000000, -0.0005228100000000 ] - [ 0.0000000000000000, -0.0000083500000000, -0.0005248400000000 ] - [ 0.0000019100000000, 0.0000011000000000, -0.0005228100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0378342100000000 ] - [ 0.0002334200000000, -0.0000377700000000, 0.0018495700000000 ] - [ -0.0002334200000000, -0.0000377700000000, 0.0018495700000000 ] - [ -0.0000839900000000, 0.0002210300000000, 0.0018495700000000 ] - [ 0.0000839900000000, 0.0002210300000000, 0.0018495700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011091500000000 ] - [ 0.0001494200000000, -0.0001832600000000, 0.0018495700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011105400000000 ] - [ -0.0001494200000000, -0.0001832600000000, 0.0018495700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012002300000000 ] - [ -0.0000532200000000, -0.0001009700000000, 0.0011447800000000 ] - [ 0.0000532200000000, -0.0001009700000000, 0.0011447800000000 ] - [ 0.0001140600000000, 0.0000044000000000, 0.0011447800000000 ] - [ -0.0001140600000000, 0.0000044000000000, 0.0011447800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012317100000000 ] - [ 0.0000608400000000, 0.0000965800000000, 0.0011447800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012736400000000 ] - [ -0.0000608400000000, 0.0000965800000000, 0.0011447800000000 ] - [ 0.0000000000000000, 0.0042486100000000, -0.0047976600000000 ] - [ -0.0001015700000000, -0.0000586400000000, -0.0002583700000000 ] - [ 0.0001015700000000, -0.0000586400000000, -0.0002583700000000 ] - [ -0.0001201200000000, -0.0000693500000000, -0.0002537600000000 ] - [ 0.0001201200000000, -0.0000693500000000, -0.0002537600000000 ] - [ 0.0000000000000000, 0.0001172800000000, -0.0002583700000000 ] - [ 0.0036794100000000, -0.0021243100000000, -0.0047976600000000 ] - [ 0.0000000000000000, 0.0001387000000000, -0.0002537600000000 ] - [ -0.0036794100000000, -0.0021243100000000, -0.0047976600000000 ] - [ 0.0000000000000000, -0.0007935800000000, -0.0017069100000000 ] - [ -0.0000150500000000, -0.0000086900000000, -0.0009148400000000 ] - [ 0.0000150500000000, -0.0000086900000000, -0.0009148400000000 ] - [ 0.0000388000000000, 0.0000224000000000, -0.0008570800000000 ] - [ -0.0000388000000000, 0.0000224000000000, -0.0008570800000000 ] - [ 0.0000000000000000, 0.0000173700000000, -0.0009148400000000 ] - [ -0.0006872600000000, 0.0003967900000000, -0.0017069100000000 ] - [ 0.0000000000000000, -0.0000448000000000, -0.0008570800000000 ] - [ 0.0006872600000000, 0.0003967900000000, -0.0017069100000000 ] - [ 0.0000000000000000, 0.0000008700000000, -0.0003777100000000 ] - [ -0.0000044400000000, -0.0000025600000000, -0.0003879500000000 ] - [ 0.0000044400000000, -0.0000025600000000, -0.0003879500000000 ] - [ -0.0000011800000000, -0.0000006800000000, -0.0003792500000000 ] - [ 0.0000011800000000, -0.0000006800000000, -0.0003792500000000 ] - [ 0.0000000000000000, 0.0000051300000000, -0.0003879500000000 ] - [ 0.0000007500000000, -0.0000004300000000, -0.0003777100000000 ] - [ 0.0000000000000000, 0.0000013700000000, -0.0003792500000000 ] - [ -0.0000007500000000, -0.0000004300000000, -0.0003777100000000 ]- atom: 100 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000035000000000, 0.0000000100000000, -0.0005894700000000 ] - [ 0.0000579300000000, 0.0000007800000000, -0.0005243400000000 ] - [ -0.0000626700000000, -0.0000003700000000, -0.0005210000000000 ] - [ -0.0000285200000000, 0.0000543900000000, -0.0005229000000000 ] - [ 0.0000320700000000, 0.0000496000000000, -0.0005226100000000 ] - [ -0.0000038900000000, -0.0000001100000000, -0.0004982300000000 ] - [ 0.0000312500000000, -0.0000501100000000, -0.0005245600000000 ] - [ -0.0000028300000000, 0.0000000900000000, -0.0004989100000000 ] - [ -0.0000286700000000, -0.0000543200000000, -0.0005209100000000 ] - [ 0.0000486900000000, -0.0000656800000000, 0.0001243700000000 ] - [ -0.0001102800000000, 0.0000310700000000, 0.0001791000000000 ] - [ 0.0000573400000000, 0.0000624300000000, 0.0002292700000000 ] - [ -0.0000112100000000, -0.0000381100000000, 0.0001744000000000 ] - [ 0.0000296900000000, -0.0000813600000000, 0.0001269900000000 ] - [ -0.0000237000000000, 0.0000495600000000, 0.0002321800000000 ] - [ -0.0002442200000000, 0.0001348000000000, 0.0001185600000000 ] - [ -0.0001797400000000, -0.0000969000000000, 0.0002301400000000 ] - [ 0.0001640400000000, 0.0000047900000000, 0.0001777200000000 ] - [ 0.0000441000000000, -0.0000500600000000, -0.0005910700000000 ] - [ -0.0001371900000000, 0.0000533800000000, -0.0005681600000000 ] - [ 0.0000682900000000, 0.0000361500000000, -0.0005710100000000 ] - [ -0.0000571400000000, -0.0000670300000000, -0.0005240400000000 ] - [ 0.0000881200000000, -0.0001296700000000, -0.0006558700000000 ] - [ -0.0000042000000000, 0.0000771500000000, -0.0004802700000000 ] - [ -0.0001222900000000, 0.0000374000000000, -0.0004659900000000 ] - [ -0.0000056700000000, 0.0000294600000000, -0.0005817000000000 ] - [ 0.0001308200000000, 0.0000138200000000, -0.0005808200000000 ] - [ 0.0065308100000000, 0.0031478000000000, -0.0061384400000000 ] - [ -0.0012308100000000, 0.0000270800000000, -0.0005631800000000 ] - [ 0.0062872700000000, -0.0029493000000000, 0.0047220500000000 ] - [ 0.0004274100000000, -0.0000389700000000, -0.0005398000000000 ] - [ -0.0001856900000000, -0.0006033300000000, -0.0006297600000000 ] - [ -0.0002428300000000, 0.0005705000000000, -0.0005101100000000 ] - [ -0.0009101400000000, 0.0007764100000000, -0.0004603800000000 ] - [ -0.0008438400000000, -0.0007298600000000, -0.0006207800000000 ] - [ 0.0011297900000000, 0.0000197400000000, -0.0005579400000000 ] - [ -0.0000111800000000, -0.0000064600000000, -0.0004275500000000 ] - [ -0.0000001700000000, 0.0000744700000000, -0.0004179900000000 ] - [ 0.0000119800000000, -0.0000063600000000, -0.0004264400000000 ] - [ 0.0000005200000000, -0.0001067300000000, -0.0003980300000000 ] - [ 0.0000641400000000, -0.0000372300000000, -0.0004187300000000 ] - [ -0.0000643700000000, -0.0000372300000000, -0.0004172100000000 ] - [ -0.0000931000000000, 0.0000540300000000, -0.0003984400000000 ] - [ 0.0000915600000000, 0.0000524800000000, -0.0003977400000000 ] - [ 0.0000004000000000, 0.0000133700000000, -0.0004270600000000 ] - [ 0.0000000500000000, -0.0000015000000000, -0.0004206800000000 ] - [ -0.0000095700000000, -0.0000046400000000, -0.0004191900000000 ] - [ 0.0000076500000000, -0.0000052000000000, -0.0004197400000000 ] - [ 0.0000090900000000, 0.0000052100000000, -0.0004204300000000 ] - [ -0.0000076600000000, 0.0000046700000000, -0.0004213600000000 ] - [ -0.0000015600000000, 0.0000101800000000, -0.0004193700000000 ] - [ -0.0000015800000000, 0.0000010400000000, -0.0004203500000000 ] - [ 0.0000002800000000, -0.0000095600000000, -0.0004208500000000 ] - [ 0.0000012400000000, 0.0000008100000000, -0.0004209600000000 ] - [ -0.0000310000000000, -0.0000002300000000, 0.0006411800000000 ] - [ 0.0000508900000000, 0.0000402500000000, 0.0006982700000000 ] - [ 0.0000464700000000, -0.0000402700000000, 0.0005857900000000 ] - [ -0.0000229900000000, -0.0000053300000000, 0.0006426100000000 ] - [ -0.0000206000000000, 0.0000093600000000, 0.0006413900000000 ] - [ 0.0000370900000000, -0.0000000800000000, 0.0006434900000000 ] - [ -0.0000266800000000, -0.0000800000000000, 0.0006988700000000 ] - [ -0.0000327200000000, -0.0000004100000000, 0.0006435200000000 ] - [ -0.0000289100000000, 0.0000750300000000, 0.0005853000000000 ] - [ -0.0000017800000000, -0.0000004500000000, 0.0011232000000000 ] - [ -0.0000000700000000, 0.0000084800000000, 0.0011215000000000 ] - [ 0.0000007800000000, -0.0000007100000000, 0.0011220500000000 ] - [ 0.0000013900000000, -0.0000080100000000, 0.0011166600000000 ] - [ 0.0000061600000000, -0.0000034400000000, 0.0011225800000000 ] - [ -0.0000082100000000, -0.0000045500000000, 0.0011204900000000 ] - [ -0.0000066600000000, 0.0000048900000000, 0.0011166300000000 ] - [ 0.0000075100000000, 0.0000038000000000, 0.0011164800000000 ] - [ -0.0000007100000000, 0.0000016100000000, 0.0011227400000000 ] - [ -0.0000004500000000, -0.0000001300000000, 0.0006210300000000 ] - [ 0.0000118700000000, -0.0000002900000000, 0.0006183300000000 ] - [ -0.0000095200000000, -0.0000007800000000, 0.0006190100000000 ] - [ -0.0000051200000000, 0.0000080500000000, 0.0006194900000000 ] - [ 0.0000049000000000, 0.0000105300000000, 0.0006177600000000 ] - [ 0.0000008800000000, -0.0000001800000000, 0.0006181000000000 ] - [ 0.0000049600000000, -0.0000098100000000, 0.0006191800000000 ] - [ 0.0000028800000000, -0.0000001400000000, 0.0006180200000000 ] - [ -0.0000064400000000, -0.0000086000000000, 0.0006180900000000 ] - [ -0.0000006800000000, -0.0000019100000000, -0.0004664300000000 ] - [ -0.0000064100000000, -0.0000024100000000, -0.0004713400000000 ] - [ 0.0000067000000000, -0.0000054800000000, -0.0004753500000000 ] - [ 0.0000080800000000, 0.0000037600000000, -0.0004658700000000 ] - [ -0.0000066200000000, 0.0000044500000000, -0.0004697600000000 ] - [ -0.0000025300000000, 0.0000074400000000, -0.0004733500000000 ] - [ -0.0000015900000000, 0.0000003300000000, -0.0004660500000000 ] - [ 0.0000013400000000, -0.0000086300000000, -0.0004678500000000 ] - [ 0.0000014500000000, 0.0000010700000000, -0.0004668200000000 ] - [ -0.0000308700000000, -0.0000000900000000, 0.0010061300000000 ] - [ 0.0000560600000000, 0.0000329000000000, 0.0009401600000000 ] - [ 0.0000401700000000, -0.0000335300000000, 0.0010555900000000 ] - [ -0.0000319800000000, 0.0000032000000000, 0.0009381500000000 ] - [ -0.0000244500000000, 0.0000103000000000, 0.0010576000000000 ] - [ -0.0000332500000000, -0.0000003100000000, 0.0009926400000000 ] - [ -0.0000177300000000, -0.0000881600000000, 0.0008800300000000 ] - [ 0.0000370300000000, -0.0000001900000000, 0.0009928000000000 ] - [ -0.0000260500000000, 0.0000737200000000, 0.0011148000000000 ] - [ -0.0284880500000000, -0.0001843200000000, 0.0014981300000000 ] - [ 0.0058393800000000, -0.0003988900000000, 0.0014713400000000 ] - [ 0.0057367000000000, 0.0003904000000000, 0.0010033600000000 ] - [ 0.0010160900000000, -0.0031349400000000, 0.0010859400000000 ] - [ 0.0010216000000000, 0.0031609100000000, 0.0013880300000000 ] - [ 0.0000537100000000, 0.0000006200000000, 0.0012297300000000 ] - [ 0.0010174800000000, -0.0023667700000000, 0.0013154900000000 ] - [ 0.0000536300000000, -0.0000004100000000, 0.0012300700000000 ] - [ 0.0010202000000000, 0.0023505300000000, 0.0011496400000000 ] - [ 0.0000224000000000, -0.0000008700000000, -0.0005942300000000 ] - [ -0.0000262300000000, 0.0000305400000000, -0.0006030100000000 ] - [ -0.0000129900000000, -0.0000377900000000, -0.0005713100000000 ] - [ 0.0000485100000000, 0.0000101000000000, -0.0006296800000000 ] - [ 0.0000347000000000, -0.0000021300000000, -0.0005558100000000 ] - [ -0.0000787600000000, 0.0000076500000000, -0.0005873600000000 ] - [ -0.0000144400000000, 0.0000213900000000, -0.0006109800000000 ] - [ 0.0000310400000000, -0.0000077900000000, -0.0005926300000000 ] - [ -0.0000126500000000, -0.0000200800000000, -0.0005774400000000 ] - [ -0.0021530800000000, -0.0000053700000000, -0.0009251200000000 ] - [ -0.0003135300000000, -0.0000441400000000, -0.0008293600000000 ] - [ -0.0002993100000000, 0.0000373100000000, -0.0010164200000000 ] - [ 0.0001299900000000, -0.0001210800000000, -0.0008020100000000 ] - [ 0.0001250300000000, 0.0001249300000000, -0.0010567500000000 ] - [ -0.0002358700000000, 0.0000021900000000, -0.0009251800000000 ] - [ 0.0016606800000000, -0.0022136400000000, -0.0045998400000000 ] - [ 0.0003405600000000, -0.0000037900000000, -0.0009308100000000 ] - [ 0.0016649100000000, 0.0021926600000000, 0.0027149900000000 ] - [ -0.0000550100000000, 0.0000013300000000, -0.0003233200000000 ] - [ 0.0000067100000000, 0.0000145600000000, -0.0003127800000000 ] - [ 0.0000116000000000, -0.0000170300000000, -0.0003380600000000 ] - [ 0.0000250200000000, -0.0000761100000000, -0.0003610400000000 ] - [ 0.0000233700000000, 0.0000775700000000, -0.0002875400000000 ] - [ -0.0000182600000000, 0.0000029500000000, -0.0003255100000000 ] - [ 0.0005200100000000, -0.0003330800000000, 0.0003827300000000 ] - [ 0.0001572400000000, -0.0000011000000000, -0.0003236700000000 ] - [ 0.0005117300000000, 0.0003261000000000, -0.0010168500000000 ]- atom: 100 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0006980700000000 ] - [ 0.0000598400000000, 0.0000034000000000, -0.0006334000000000 ] - [ -0.0000598400000000, 0.0000034000000000, -0.0006334000000000 ] - [ -0.0000328600000000, 0.0000501300000000, -0.0006334000000000 ] - [ 0.0000328600000000, 0.0000501300000000, -0.0006334000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006121500000000 ] - [ 0.0000269800000000, -0.0000535300000000, -0.0006334000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006088400000000 ] - [ -0.0000269800000000, -0.0000535300000000, -0.0006334000000000 ] - [ -0.0000938700000000, -0.0000541900000000, 0.0000662600000000 ] - [ 0.0000000000000000, 0.0000064800000000, 0.0001961400000000 ] - [ 0.0000938700000000, -0.0000541900000000, 0.0000662600000000 ] - [ 0.0000000000000000, -0.0003833300000000, 0.0000091300000000 ] - [ 0.0000056100000000, -0.0000032400000000, 0.0001961400000000 ] - [ -0.0000056100000000, -0.0000032400000000, 0.0001961400000000 ] - [ -0.0003319700000000, 0.0001916600000000, 0.0000091300000000 ] - [ 0.0003319700000000, 0.0001916600000000, 0.0000091300000000 ] - [ 0.0000000000000000, 0.0001083900000000, 0.0000662600000000 ] - [ 0.0000209000000000, 0.0000120700000000, -0.0007199800000000 ] - [ 0.0000000000000000, 0.0001457500000000, -0.0006894200000000 ] - [ -0.0000209000000000, 0.0000120700000000, -0.0007199800000000 ] - [ 0.0000000000000000, -0.0000271700000000, -0.0006067300000000 ] - [ 0.0001262300000000, -0.0000728800000000, -0.0006894200000000 ] - [ -0.0001262300000000, -0.0000728800000000, -0.0006894200000000 ] - [ -0.0000235300000000, 0.0000135800000000, -0.0006067300000000 ] - [ 0.0000235300000000, 0.0000135800000000, -0.0006067300000000 ] - [ 0.0000000000000000, -0.0000241300000000, -0.0007199800000000 ] - [ -0.0079464800000000, -0.0045879000000000, 0.0074669800000000 ] - [ 0.0000000000000000, -0.0000480300000000, 0.0001008200000000 ] - [ 0.0079464800000000, -0.0045879000000000, 0.0074669800000000 ] - [ 0.0000000000000000, 0.0004089700000000, 0.0005573000000000 ] - [ -0.0000416000000000, 0.0000240200000000, 0.0001008200000000 ] - [ 0.0000416000000000, 0.0000240200000000, 0.0001008200000000 ] - [ 0.0003541800000000, -0.0002044900000000, 0.0005573000000000 ] - [ -0.0003541800000000, -0.0002044900000000, 0.0005573000000000 ] - [ 0.0000000000000000, 0.0091758100000000, 0.0074669800000000 ] - [ -0.0000117600000000, -0.0000067900000000, -0.0005383600000000 ] - [ 0.0000000000000000, 0.0000739100000000, -0.0005297900000000 ] - [ 0.0000117600000000, -0.0000067900000000, -0.0005383600000000 ] - [ 0.0000000000000000, -0.0001082300000000, -0.0005105900000000 ] - [ 0.0000640100000000, -0.0000369500000000, -0.0005297900000000 ] - [ -0.0000640100000000, -0.0000369500000000, -0.0005297900000000 ] - [ -0.0000937300000000, 0.0000541100000000, -0.0005105900000000 ] - [ 0.0000937300000000, 0.0000541100000000, -0.0005105900000000 ] - [ 0.0000000000000000, 0.0000135800000000, -0.0005383600000000 ] - [ 0.0000000000000000, -0.0000013400000000, -0.0003643500000000 ] - [ -0.0000084500000000, -0.0000048800000000, -0.0003624600000000 ] - [ 0.0000084500000000, -0.0000048800000000, -0.0003624600000000 ] - [ 0.0000088500000000, 0.0000051100000000, -0.0003635500000000 ] - [ -0.0000088500000000, 0.0000051100000000, -0.0003635500000000 ] - [ 0.0000000000000000, 0.0000097500000000, -0.0003624600000000 ] - [ -0.0000011600000000, 0.0000006700000000, -0.0003643500000000 ] - [ 0.0000000000000000, -0.0000102200000000, -0.0003635500000000 ] - [ 0.0000011600000000, 0.0000006700000000, -0.0003643500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006793800000000 ] - [ 0.0000609100000000, 0.0001032500000000, 0.0007324100000000 ] - [ -0.0000609100000000, 0.0001032500000000, 0.0007324100000000 ] - [ -0.0001198700000000, 0.0000011200000000, 0.0007324100000000 ] - [ 0.0001198700000000, 0.0000011200000000, 0.0007324100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006402100000000 ] - [ -0.0000589600000000, -0.0001043700000000, 0.0007324100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005979900000000 ] - [ 0.0000589600000000, -0.0001043700000000, 0.0007324100000000 ] - [ -0.0000023000000000, -0.0000013300000000, 0.0011765000000000 ] - [ 0.0000000000000000, 0.0000054300000000, 0.0011768500000000 ] - [ 0.0000023000000000, -0.0000013300000000, 0.0011765000000000 ] - [ 0.0000000000000000, -0.0000088500000000, 0.0011708500000000 ] - [ 0.0000047000000000, -0.0000027100000000, 0.0011768500000000 ] - [ -0.0000047000000000, -0.0000027100000000, 0.0011768500000000 ] - [ -0.0000076600000000, 0.0000044200000000, 0.0011708500000000 ] - [ 0.0000076600000000, 0.0000044200000000, 0.0011708500000000 ] - [ 0.0000000000000000, 0.0000026600000000, 0.0011765000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006766200000000 ] - [ 0.0000102200000000, -0.0000004500000000, 0.0006738300000000 ] - [ -0.0000102200000000, -0.0000004500000000, 0.0006738300000000 ] - [ -0.0000047200000000, 0.0000090800000000, 0.0006738300000000 ] - [ 0.0000047200000000, 0.0000090800000000, 0.0006738300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006742600000000 ] - [ 0.0000055100000000, -0.0000086300000000, 0.0006738300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006773000000000 ] - [ -0.0000055100000000, -0.0000086300000000, 0.0006738300000000 ] - [ 0.0000000000000000, -0.0000010800000000, -0.0004118000000000 ] - [ -0.0000056300000000, -0.0000032500000000, -0.0004096600000000 ] - [ 0.0000056300000000, -0.0000032500000000, -0.0004096600000000 ] - [ 0.0000089500000000, 0.0000051700000000, -0.0004129100000000 ] - [ -0.0000089500000000, 0.0000051700000000, -0.0004129100000000 ] - [ 0.0000000000000000, 0.0000065000000000, -0.0004096600000000 ] - [ -0.0000009300000000, 0.0000005400000000, -0.0004118000000000 ] - [ 0.0000000000000000, -0.0000103300000000, -0.0004129100000000 ] - [ 0.0000009300000000, 0.0000005400000000, -0.0004118000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010450500000000 ] - [ -0.0000478300000000, -0.0000332100000000, 0.0010883400000000 ] - [ 0.0000478300000000, -0.0000332100000000, 0.0010883400000000 ] - [ 0.0000526700000000, -0.0000248100000000, 0.0010883400000000 ] - [ -0.0000526700000000, -0.0000248100000000, 0.0010883400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009492300000000 ] - [ 0.0000048500000000, 0.0000580200000000, 0.0010883400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009914400000000 ] - [ -0.0000048500000000, 0.0000580200000000, 0.0010883400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0351753300000000 ] - [ -0.0002392700000000, 0.0000407700000000, 0.0003780400000000 ] - [ 0.0002392700000000, 0.0000407700000000, 0.0003780400000000 ] - [ 0.0000843300000000, -0.0002276000000000, 0.0003780400000000 ] - [ -0.0000843300000000, -0.0002276000000000, 0.0003780400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011124800000000 ] - [ -0.0001549400000000, 0.0001868300000000, 0.0003780400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011137400000000 ] - [ 0.0001549400000000, 0.0001868300000000, 0.0003780400000000 ] - [ 0.0000000000000000, -0.0000204200000000, -0.0005363900000000 ] - [ -0.0000224100000000, -0.0000129400000000, -0.0005300300000000 ] - [ 0.0000224100000000, -0.0000129400000000, -0.0005300300000000 ] - [ -0.0000299900000000, -0.0000173200000000, -0.0005369000000000 ] - [ 0.0000299900000000, -0.0000173200000000, -0.0005369000000000 ] - [ 0.0000000000000000, 0.0000258800000000, -0.0005300300000000 ] - [ -0.0000176800000000, 0.0000102100000000, -0.0005363900000000 ] - [ 0.0000000000000000, 0.0000346300000000, -0.0005369000000000 ] - [ 0.0000176800000000, 0.0000102100000000, -0.0005363900000000 ] - [ 0.0000000000000000, -0.0041912500000000, 0.0032123300000000 ] - [ 0.0000893200000000, 0.0000515700000000, -0.0012525100000000 ] - [ -0.0000893200000000, 0.0000515700000000, -0.0012525100000000 ] - [ 0.0001300400000000, 0.0000750800000000, -0.0012680100000000 ] - [ -0.0001300400000000, 0.0000750800000000, -0.0012680100000000 ] - [ 0.0000000000000000, -0.0001031300000000, -0.0012525100000000 ] - [ -0.0036297300000000, 0.0020956300000000, 0.0032123300000000 ] - [ 0.0000000000000000, -0.0001501600000000, -0.0012680100000000 ] - [ 0.0036297300000000, 0.0020956300000000, 0.0032123300000000 ] - [ 0.0000000000000000, 0.0008210100000000, 0.0004775900000000 ] - [ 0.0000101200000000, 0.0000058400000000, -0.0003354000000000 ] - [ -0.0000101200000000, 0.0000058400000000, -0.0003354000000000 ] - [ -0.0000357700000000, -0.0000206500000000, -0.0003981100000000 ] - [ 0.0000357700000000, -0.0000206500000000, -0.0003981100000000 ] - [ 0.0000000000000000, -0.0000116800000000, -0.0003354000000000 ] - [ 0.0007110200000000, -0.0004105100000000, 0.0004775900000000 ] - [ 0.0000000000000000, 0.0000413100000000, -0.0003981100000000 ] - [ -0.0007110200000000, -0.0004105100000000, 0.0004775900000000 ]- atom: 100 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0004799200000000 ] - [ 0.0000606100000000, -0.0000029400000000, -0.0004112900000000 ] - [ -0.0000606100000000, -0.0000029400000000, -0.0004112900000000 ] - [ -0.0000277600000000, 0.0000539600000000, -0.0004112900000000 ] - [ 0.0000277600000000, 0.0000539600000000, -0.0004112900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003835100000000 ] - [ 0.0000328500000000, -0.0000510200000000, -0.0004112900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003881800000000 ] - [ -0.0000328500000000, -0.0000510200000000, -0.0004112900000000 ] - [ 0.0000839600000000, 0.0000484700000000, 0.0002862800000000 ] - [ 0.0000000000000000, 0.0000554000000000, 0.0001649000000000 ] - [ -0.0000839600000000, 0.0000484700000000, 0.0002862800000000 ] - [ 0.0000000000000000, 0.0002997900000000, 0.0003375200000000 ] - [ 0.0000479800000000, -0.0000277000000000, 0.0001649000000000 ] - [ -0.0000479800000000, -0.0000277000000000, 0.0001649000000000 ] - [ 0.0002596200000000, -0.0001498900000000, 0.0003375200000000 ] - [ -0.0002596200000000, -0.0001498900000000, 0.0003375200000000 ] - [ 0.0000000000000000, -0.0000969500000000, 0.0002862800000000 ] - [ -0.0000448600000000, -0.0000259000000000, -0.0004432200000000 ] - [ 0.0000000000000000, -0.0000395900000000, -0.0004478900000000 ] - [ 0.0000448600000000, -0.0000259000000000, -0.0004432200000000 ] - [ 0.0000000000000000, -0.0001071700000000, -0.0004423700000000 ] - [ -0.0000342800000000, 0.0000197900000000, -0.0004478900000000 ] - [ 0.0000342800000000, 0.0000197900000000, -0.0004478900000000 ] - [ -0.0000928100000000, 0.0000535800000000, -0.0004423700000000 ] - [ 0.0000928100000000, 0.0000535800000000, -0.0004423700000000 ] - [ 0.0000000000000000, 0.0000518000000000, -0.0004432200000000 ] - [ 0.0081775200000000, 0.0047213000000000, -0.0086889900000000 ] - [ 0.0000000000000000, 0.0001127300000000, -0.0012440600000000 ] - [ -0.0081775200000000, 0.0047213000000000, -0.0086889900000000 ] - [ 0.0000000000000000, -0.0004864900000000, -0.0016454700000000 ] - [ 0.0000976300000000, -0.0000563600000000, -0.0012440600000000 ] - [ -0.0000976300000000, -0.0000563600000000, -0.0012440600000000 ] - [ -0.0004213100000000, 0.0002432500000000, -0.0016454700000000 ] - [ 0.0004213100000000, 0.0002432500000000, -0.0016454700000000 ] - [ 0.0000000000000000, -0.0094425900000000, -0.0086889900000000 ] - [ -0.0000112200000000, -0.0000064800000000, -0.0003163300000000 ] - [ 0.0000000000000000, 0.0000748600000000, -0.0003068500000000 ] - [ 0.0000112200000000, -0.0000064800000000, -0.0003163300000000 ] - [ 0.0000000000000000, -0.0001049600000000, -0.0002861300000000 ] - [ 0.0000648300000000, -0.0000374300000000, -0.0003068500000000 ] - [ -0.0000648300000000, -0.0000374300000000, -0.0003068500000000 ] - [ -0.0000909000000000, 0.0000524800000000, -0.0002861300000000 ] - [ 0.0000909000000000, 0.0000524800000000, -0.0002861300000000 ] - [ 0.0000000000000000, 0.0000129500000000, -0.0003163300000000 ] - [ 0.0000000000000000, -0.0000018800000000, -0.0004770100000000 ] - [ -0.0000090300000000, -0.0000052100000000, -0.0004762500000000 ] - [ 0.0000090300000000, -0.0000052100000000, -0.0004762500000000 ] - [ 0.0000078800000000, 0.0000045500000000, -0.0004782400000000 ] - [ -0.0000078800000000, 0.0000045500000000, -0.0004782400000000 ] - [ 0.0000000000000000, 0.0000104300000000, -0.0004762500000000 ] - [ -0.0000016300000000, 0.0000009400000000, -0.0004770100000000 ] - [ 0.0000000000000000, -0.0000091000000000, -0.0004782400000000 ] - [ 0.0000016300000000, 0.0000009400000000, -0.0004770100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006030800000000 ] - [ -0.0000548100000000, -0.0001006800000000, 0.0005530400000000 ] - [ 0.0000548100000000, -0.0001006800000000, 0.0005530400000000 ] - [ 0.0001146000000000, 0.0000028700000000, 0.0005530400000000 ] - [ -0.0001146000000000, 0.0000028700000000, 0.0005530400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006461800000000 ] - [ 0.0000597900000000, 0.0000978100000000, 0.0005530400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006868600000000 ] - [ -0.0000597900000000, 0.0000978100000000, 0.0005530400000000 ] - [ -0.0000002900000000, -0.0000001700000000, 0.0010694900000000 ] - [ 0.0000000000000000, 0.0000110800000000, 0.0010668000000000 ] - [ 0.0000002900000000, -0.0000001700000000, 0.0010694900000000 ] - [ 0.0000000000000000, -0.0000077200000000, 0.0010628500000000 ] - [ 0.0000095900000000, -0.0000055400000000, 0.0010668000000000 ] - [ -0.0000095900000000, -0.0000055400000000, 0.0010668000000000 ] - [ -0.0000066800000000, 0.0000038600000000, 0.0010628500000000 ] - [ 0.0000066800000000, 0.0000038600000000, 0.0010628500000000 ] - [ 0.0000000000000000, 0.0000003400000000, 0.0010694900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005663500000000 ] - [ 0.0000111600000000, -0.0000003300000000, 0.0005644600000000 ] - [ -0.0000111600000000, -0.0000003300000000, 0.0005644600000000 ] - [ -0.0000052900000000, 0.0000098300000000, 0.0005644600000000 ] - [ 0.0000052900000000, 0.0000098300000000, 0.0005644600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005629800000000 ] - [ 0.0000058600000000, -0.0000095000000000, 0.0005644600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005596600000000 ] - [ -0.0000058600000000, -0.0000095000000000, 0.0005644600000000 ] - [ 0.0000000000000000, -0.0000024000000000, -0.0005211400000000 ] - [ -0.0000074800000000, -0.0000043200000000, -0.0005370600000000 ] - [ 0.0000074800000000, -0.0000043200000000, -0.0005370600000000 ] - [ 0.0000057700000000, 0.0000033300000000, -0.0005229600000000 ] - [ -0.0000057700000000, 0.0000033300000000, -0.0005229600000000 ] - [ 0.0000000000000000, 0.0000086400000000, -0.0005370600000000 ] - [ -0.0000020800000000, 0.0000012000000000, -0.0005211400000000 ] - [ 0.0000000000000000, -0.0000066600000000, -0.0005229600000000 ] - [ 0.0000020800000000, 0.0000012000000000, -0.0005211400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009684200000000 ] - [ 0.0000640500000000, 0.0000330700000000, 0.0009077100000000 ] - [ -0.0000640500000000, 0.0000330700000000, 0.0009077100000000 ] - [ -0.0000606700000000, 0.0000389300000000, 0.0009077100000000 ] - [ 0.0000606700000000, 0.0000389300000000, 0.0009077100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010371800000000 ] - [ 0.0000033800000000, -0.0000720000000000, 0.0009077100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009950900000000 ] - [ -0.0000033800000000, -0.0000720000000000, 0.0009077100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0380684400000000 ] - [ 0.0002289800000000, -0.0000377400000000, 0.0020869000000000 ] - [ -0.0002289800000000, -0.0000377400000000, 0.0020869000000000 ] - [ -0.0000818100000000, 0.0002171800000000, 0.0020869000000000 ] - [ 0.0000818100000000, 0.0002171800000000, 0.0020869000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013474100000000 ] - [ 0.0001471800000000, -0.0001794300000000, 0.0020869000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013486600000000 ] - [ -0.0001471800000000, -0.0001794300000000, 0.0020869000000000 ] - [ 0.0000000000000000, 0.0000183900000000, -0.0006517400000000 ] - [ 0.0000093400000000, 0.0000053900000000, -0.0006443600000000 ] - [ -0.0000093400000000, 0.0000053900000000, -0.0006443600000000 ] - [ 0.0000438600000000, 0.0000253200000000, -0.0006484200000000 ] - [ -0.0000438600000000, 0.0000253200000000, -0.0006484200000000 ] - [ 0.0000000000000000, -0.0000107800000000, -0.0006443600000000 ] - [ 0.0000159200000000, -0.0000091900000000, -0.0006517400000000 ] - [ 0.0000000000000000, -0.0000506400000000, -0.0006484200000000 ] - [ -0.0000159200000000, -0.0000091900000000, -0.0006517400000000 ] - [ 0.0000000000000000, 0.0042524300000000, -0.0051355600000000 ] - [ -0.0000977200000000, -0.0000564200000000, -0.0005955700000000 ] - [ 0.0000977200000000, -0.0000564200000000, -0.0005955700000000 ] - [ -0.0001244800000000, -0.0000718700000000, -0.0005907400000000 ] - [ 0.0001244800000000, -0.0000718700000000, -0.0005907400000000 ] - [ 0.0000000000000000, 0.0001128400000000, -0.0005955700000000 ] - [ 0.0036827100000000, -0.0021262200000000, -0.0051355600000000 ] - [ 0.0000000000000000, 0.0001437300000000, -0.0005907400000000 ] - [ -0.0036827100000000, -0.0021262200000000, -0.0051355600000000 ] - [ 0.0000000000000000, -0.0007924000000000, -0.0011000200000000 ] - [ -0.0000145500000000, -0.0000084000000000, -0.0003162100000000 ] - [ 0.0000145500000000, -0.0000084000000000, -0.0003162100000000 ] - [ 0.0000367700000000, 0.0000212300000000, -0.0002524800000000 ] - [ -0.0000367700000000, 0.0000212300000000, -0.0002524800000000 ] - [ 0.0000000000000000, 0.0000168000000000, -0.0003162100000000 ] - [ -0.0006862400000000, 0.0003962000000000, -0.0011000200000000 ] - [ 0.0000000000000000, -0.0000424600000000, -0.0002524800000000 ] - [ 0.0006862400000000, 0.0003962000000000, -0.0011000200000000 ]- atom: 109 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000021100000000, 0.0000000200000000, -0.0005890600000000 ] - [ 0.0000594000000000, 0.0000031800000000, -0.0005245700000000 ] - [ -0.0000612000000000, -0.0000027800000000, -0.0005199400000000 ] - [ -0.0000279400000000, 0.0000518200000000, -0.0005233600000000 ] - [ 0.0000326500000000, 0.0000522100000000, -0.0005213300000000 ] - [ -0.0000043000000000, -0.0000001100000000, -0.0004978200000000 ] - [ 0.0000276700000000, -0.0000509900000000, -0.0005249000000000 ] - [ 0.0000043400000000, 0.0000001200000000, -0.0004984700000000 ] - [ -0.0000322600000000, -0.0000533600000000, -0.0005197300000000 ] - [ -0.0000036100000000, -0.0000017300000000, 0.0001777300000000 ] - [ -0.0000001300000000, 0.0000315300000000, 0.0001794700000000 ] - [ 0.0000041100000000, -0.0000022300000000, 0.0001766600000000 ] - [ 0.0000008200000000, -0.0000372800000000, 0.0001747500000000 ] - [ 0.0000258900000000, -0.0000163500000000, 0.0001798000000000 ] - [ -0.0000280900000000, -0.0000151300000000, 0.0001792300000000 ] - [ -0.0000321300000000, 0.0000187000000000, 0.0001756600000000 ] - [ 0.0000322600000000, 0.0000184200000000, 0.0001739800000000 ] - [ -0.0000001000000000, 0.0000046000000000, 0.0001773000000000 ] - [ 0.0065101300000000, -0.0031485900000000, 0.0049819400000000 ] - [ -0.0012302000000000, 0.0000592100000000, -0.0005762300000000 ] - [ 0.0062784600000000, 0.0029297000000000, -0.0058558500000000 ] - [ 0.0011314500000000, -0.0000796100000000, -0.0005301200000000 ] - [ -0.0008290400000000, -0.0007822700000000, -0.0006500300000000 ] - [ -0.0009251100000000, 0.0007231200000000, -0.0004895400000000 ] - [ -0.0002720000000000, 0.0006202900000000, -0.0004654100000000 ] - [ -0.0001559900000000, -0.0005531300000000, -0.0005851600000000 ] - [ 0.0004267100000000, 0.0000123400000000, -0.0005833700000000 ] - [ 0.0000497400000000, 0.0000399100000000, -0.0005539700000000 ] - [ -0.0001370800000000, 0.0000329100000000, -0.0005712600000000 ] - [ 0.0000623300000000, -0.0000465900000000, -0.0005740300000000 ] - [ 0.0001310200000000, -0.0000404800000000, -0.0005423500000000 ] - [ -0.0000359800000000, -0.0000200600000000, -0.0006290800000000 ] - [ -0.0000925000000000, -0.0000125000000000, -0.0005136800000000 ] - [ 0.0000071200000000, 0.0001234600000000, -0.0004545200000000 ] - [ 0.0000771700000000, -0.0000835200000000, -0.0006300600000000 ] - [ -0.0000576600000000, 0.0000071400000000, -0.0005640300000000 ] - [ 0.0000410600000000, 0.0000576900000000, -0.0003740200000000 ] - [ -0.0001106200000000, 0.0000749900000000, -0.0004176300000000 ] - [ 0.0000651400000000, -0.0000712400000000, -0.0004792300000000 ] - [ 0.0001649300000000, -0.0001068600000000, -0.0003984600000000 ] - [ -0.0001487900000000, -0.0001538100000000, -0.0003615000000000 ] - [ -0.0002771800000000, 0.0000785300000000, -0.0004735400000000 ] - [ -0.0000894900000000, 0.0001190700000000, -0.0003456100000000 ] - [ 0.0000957900000000, -0.0000123000000000, -0.0004507200000000 ] - [ -0.0000116900000000, 0.0000142300000000, -0.0004267300000000 ] - [ -0.0000317600000000, -0.0000013700000000, -0.0004209500000000 ] - [ 0.0000379400000000, -0.0000462100000000, -0.0004759100000000 ] - [ 0.0000555500000000, 0.0000358500000000, -0.0003636300000000 ] - [ -0.0000214300000000, -0.0000717100000000, -0.0003644900000000 ] - [ -0.0000384100000000, 0.0000825100000000, -0.0004782800000000 ] - [ -0.0000342700000000, 0.0000104800000000, -0.0004197000000000 ] - [ -0.0000240600000000, -0.0000065400000000, -0.0004202900000000 ] - [ 0.0000367300000000, -0.0000096100000000, -0.0004209900000000 ] - [ -0.0000216300000000, 0.0000080900000000, -0.0004218900000000 ] - [ 0.0000004700000000, -0.0000001100000000, 0.0006410000000000 ] - [ 0.0000017600000000, -0.0000005600000000, 0.0006414700000000 ] - [ -0.0000030400000000, 0.0000000600000000, 0.0006420300000000 ] - [ -0.0000008000000000, 0.0000020200000000, 0.0006418400000000 ] - [ 0.0000012100000000, 0.0000017000000000, 0.0006413400000000 ] - [ 0.0000006000000000, -0.0000001600000000, 0.0006434800000000 ] - [ 0.0000023900000000, -0.0000017100000000, 0.0006421200000000 ] - [ -0.0000012800000000, -0.0000001200000000, 0.0006432900000000 ] - [ -0.0000000800000000, -0.0000023300000000, 0.0006411200000000 ] - [ -0.0000018900000000, -0.0000016100000000, 0.0011215400000000 ] - [ 0.0000031300000000, 0.0000084900000000, 0.0011212400000000 ] - [ 0.0000006900000000, 0.0000004800000000, 0.0011232400000000 ] - [ -0.0000024400000000, -0.0000080900000000, 0.0011163000000000 ] - [ 0.0000072500000000, -0.0000040900000000, 0.0011192400000000 ] - [ -0.0000071100000000, -0.0000038600000000, 0.0011233300000000 ] - [ -0.0000076700000000, 0.0000021800000000, 0.0011195300000000 ] - [ 0.0000066800000000, 0.0000064000000000, 0.0011129300000000 ] - [ 0.0000002500000000, 0.0000016200000000, 0.0011224900000000 ] - [ -0.0000539600000000, 0.0000000100000000, 0.0006206200000000 ] - [ 0.0000203900000000, -0.0000165100000000, 0.0006061700000000 ] - [ -0.0000009900000000, 0.0000153400000000, 0.0006312600000000 ] - [ 0.0005108900000000, -0.0003185200000000, 0.0013124000000000 ] - [ 0.0005269100000000, 0.0003429800000000, -0.0000883300000000 ] - [ 0.0001594600000000, -0.0000001300000000, 0.0006176500000000 ] - [ 0.0000307900000000, -0.0000869300000000, 0.0005819900000000 ] - [ -0.0000179100000000, -0.0000001300000000, 0.0006180700000000 ] - [ 0.0000190000000000, 0.0000684900000000, 0.0006556100000000 ] - [ 0.0000005300000000, -0.0000018800000000, -0.0004667300000000 ] - [ -0.0000057500000000, -0.0000052100000000, -0.0004742900000000 ] - [ 0.0000073400000000, -0.0000026300000000, -0.0004730100000000 ] - [ 0.0000067400000000, 0.0000046100000000, -0.0004668700000000 ] - [ -0.0000079500000000, 0.0000036200000000, -0.0004693900000000 ] - [ 0.0000023500000000, 0.0000074400000000, -0.0004736600000000 ] - [ 0.0000001000000000, -0.0000001100000000, -0.0004660800000000 ] - [ -0.0000025300000000, -0.0000086200000000, -0.0004681800000000 ] - [ 0.0000031500000000, 0.0000015500000000, -0.0004674000000000 ] - [ -0.0021513900000000, 0.0000062400000000, 0.0010005200000000 ] - [ -0.0003022000000000, 0.0000425100000000, 0.0009025700000000 ] - [ -0.0003099100000000, -0.0000391200000000, 0.0010900800000000 ] - [ 0.0016610700000000, -0.0021847500000000, -0.0026449200000000 ] - [ 0.0016632800000000, 0.0022188700000000, 0.0046638100000000 ] - [ 0.0003407000000000, 0.0000006700000000, 0.0009939600000000 ] - [ 0.0001320200000000, -0.0001304000000000, 0.0011247100000000 ] - [ -0.0002353500000000, 0.0000010700000000, 0.0009939300000000 ] - [ 0.0001234100000000, 0.0001155800000000, 0.0008703300000000 ] - [ 0.0000227000000000, -0.0000001400000000, 0.0012387100000000 ] - [ -0.0000156400000000, -0.0000344500000000, 0.0012498600000000 ] - [ -0.0000228500000000, 0.0000338400000000, 0.0012183400000000 ] - [ -0.0000148900000000, 0.0000237800000000, 0.0012174500000000 ] - [ -0.0000115200000000, -0.0000176900000000, 0.0012509800000000 ] - [ 0.0000313800000000, -0.0000002000000000, 0.0012301500000000 ] - [ 0.0000438700000000, 0.0000029500000000, 0.0011971800000000 ] - [ -0.0000783900000000, -0.0000001000000000, 0.0012306600000000 ] - [ 0.0000400000000000, -0.0000092200000000, 0.0012712300000000 ] - [ -0.0284523400000000, 0.0001806600000000, -0.0008510300000000 ] - [ 0.0058263400000000, 0.0003948700000000, -0.0008255300000000 ] - [ 0.0057441300000000, -0.0003941200000000, -0.0003556300000000 ] - [ 0.0010280100000000, -0.0023488400000000, -0.0005080100000000 ] - [ 0.0010076500000000, 0.0023667600000000, -0.0006743000000000 ] - [ 0.0000530500000000, 0.0000079600000000, -0.0005868600000000 ] - [ 0.0010180000000000, -0.0031560200000000, -0.0007488300000000 ] - [ 0.0000531600000000, -0.0000086300000000, -0.0005923000000000 ] - [ 0.0010176900000000, 0.0031373800000000, -0.0004452800000000 ] - [ -0.0000314200000000, 0.0000009800000000, -0.0009307900000000 ] - [ 0.0000446300000000, -0.0000346700000000, -0.0008666700000000 ] - [ 0.0000506300000000, 0.0000318800000000, -0.0009823200000000 ] - [ -0.0000197600000000, -0.0000792800000000, -0.0010470400000000 ] - [ -0.0000250100000000, 0.0000827800000000, -0.0008117100000000 ] - [ 0.0000365200000000, 0.0000034500000000, -0.0009241400000000 ] - [ -0.0000281900000000, -0.0000036800000000, -0.0009908200000000 ] - [ -0.0000337700000000, -0.0000028300000000, -0.0009295700000000 ] - [ -0.0000292800000000, 0.0000032900000000, -0.0008710500000000 ] - [ -0.0000009500000000, 0.0000014500000000, -0.0003237600000000 ] - [ -0.0000018100000000, -0.0000015700000000, -0.0003251000000000 ] - [ 0.0000030500000000, -0.0000009800000000, -0.0003257800000000 ] - [ -0.0000002600000000, 0.0000001500000000, -0.0003236800000000 ] - [ -0.0000023200000000, 0.0000012900000000, -0.0003247200000000 ] - [ 0.0000023200000000, 0.0000029400000000, -0.0003254800000000 ] - [ 0.0000005400000000, -0.0000017600000000, -0.0003228400000000 ] - [ 0.0000002700000000, -0.0000010500000000, -0.0003241700000000 ] - [ -0.0000017200000000, 0.0000006900000000, -0.0003245900000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000397300000000, -0.0006530700000000 ] - [ 0.0000278600000000, -0.0000160800000000, -0.0006270500000000 ] - [ -0.0000278600000000, -0.0000160800000000, -0.0006270500000000 ] - [ -0.0000344000000000, 0.0000198600000000, -0.0006530700000000 ] - [ 0.0000344000000000, 0.0000198600000000, -0.0006530700000000 ] - [ 0.0000000000000000, 0.0000038200000000, -0.0006225900000000 ] - [ -0.0000033100000000, -0.0000019100000000, -0.0006225900000000 ] - [ 0.0000000000000000, 0.0000321700000000, -0.0006270500000000 ] - [ 0.0000033100000000, -0.0000019100000000, -0.0006225900000000 ] - [ -0.0000117700000000, 0.0000068000000000, 0.0000649100000000 ] - [ 0.0000000000000000, 0.0000225200000000, 0.0000646100000000 ] - [ 0.0000117700000000, 0.0000068000000000, 0.0000649100000000 ] - [ 0.0000000000000000, -0.0000135900000000, 0.0000649100000000 ] - [ 0.0000093600000000, 0.0000054100000000, 0.0000661600000000 ] - [ -0.0000093600000000, 0.0000054100000000, 0.0000661600000000 ] - [ -0.0000195100000000, -0.0000112600000000, 0.0000646100000000 ] - [ 0.0000195100000000, -0.0000112600000000, 0.0000646100000000 ] - [ 0.0000000000000000, -0.0000108100000000, 0.0000661600000000 ] - [ 0.0081436300000000, -0.0047017300000000, 0.0075567200000000 ] - [ 0.0000000000000000, -0.0000396700000000, 0.0001342400000000 ] - [ -0.0081436300000000, -0.0047017300000000, 0.0075567200000000 ] - [ 0.0000000000000000, 0.0094034500000000, 0.0075567200000000 ] - [ -0.0003760200000000, -0.0002171000000000, 0.0005314800000000 ] - [ 0.0003760200000000, -0.0002171000000000, 0.0005314800000000 ] - [ 0.0000343500000000, 0.0000198300000000, 0.0001342400000000 ] - [ -0.0000343500000000, 0.0000198300000000, 0.0001342400000000 ] - [ 0.0000000000000000, 0.0004341900000000, 0.0005314800000000 ] - [ -0.0000467300000000, 0.0000269800000000, -0.0006952900000000 ] - [ 0.0000000000000000, 0.0001175600000000, -0.0006728900000000 ] - [ 0.0000467300000000, 0.0000269800000000, -0.0006952900000000 ] - [ 0.0000000000000000, -0.0000539600000000, -0.0006952900000000 ] - [ -0.0000273200000000, -0.0000157700000000, -0.0006511700000000 ] - [ 0.0000273200000000, -0.0000157700000000, -0.0006511700000000 ] - [ -0.0001018100000000, -0.0000587800000000, -0.0006728900000000 ] - [ 0.0001018100000000, -0.0000587800000000, -0.0006728900000000 ] - [ 0.0000000000000000, 0.0000315500000000, -0.0006511700000000 ] - [ 0.0000535700000000, -0.0000309300000000, -0.0005265400000000 ] - [ 0.0000000000000000, 0.0000361800000000, -0.0003892700000000 ] - [ -0.0000535700000000, -0.0000309300000000, -0.0005265400000000 ] - [ 0.0000000000000000, 0.0000618500000000, -0.0005265400000000 ] - [ 0.0003113400000000, 0.0001797500000000, -0.0005835400000000 ] - [ -0.0003113400000000, 0.0001797500000000, -0.0005835400000000 ] - [ -0.0000313400000000, -0.0000180900000000, -0.0003892700000000 ] - [ 0.0000313400000000, -0.0000180900000000, -0.0003892700000000 ] - [ 0.0000000000000000, -0.0003595000000000, -0.0005835400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003803700000000 ] - [ -0.0000594100000000, 0.0000987400000000, -0.0003268800000000 ] - [ 0.0000594100000000, 0.0000987400000000, -0.0003268800000000 ] - [ -0.0000558000000000, -0.0001008200000000, -0.0003268800000000 ] - [ 0.0000558000000000, -0.0001008200000000, -0.0003268800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004593500000000 ] - [ -0.0001152100000000, 0.0000020800000000, -0.0003268800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004205900000000 ] - [ 0.0001152100000000, 0.0000020800000000, -0.0003268800000000 ] - [ 0.0000000000000000, -0.0000008700000000, 0.0006944600000000 ] - [ 0.0000009700000000, -0.0000005600000000, 0.0006957200000000 ] - [ -0.0000009700000000, -0.0000005600000000, 0.0006957200000000 ] - [ -0.0000007500000000, 0.0000004300000000, 0.0006944600000000 ] - [ 0.0000007500000000, 0.0000004300000000, 0.0006944600000000 ] - [ 0.0000000000000000, -0.0000006700000000, 0.0006961000000000 ] - [ 0.0000005800000000, 0.0000003300000000, 0.0006961000000000 ] - [ 0.0000000000000000, 0.0000011200000000, 0.0006957200000000 ] - [ -0.0000005800000000, 0.0000003300000000, 0.0006961000000000 ] - [ -0.0000012600000000, 0.0000007300000000, 0.0011746700000000 ] - [ 0.0000000000000000, 0.0000066600000000, 0.0011750300000000 ] - [ 0.0000012600000000, 0.0000007300000000, 0.0011746700000000 ] - [ 0.0000000000000000, -0.0000014500000000, 0.0011746700000000 ] - [ 0.0000006000000000, 0.0000003500000000, 0.0011711400000000 ] - [ -0.0000006000000000, 0.0000003500000000, 0.0011711400000000 ] - [ -0.0000057600000000, -0.0000033300000000, 0.0011750300000000 ] - [ 0.0000057600000000, -0.0000033300000000, 0.0011750300000000 ] - [ 0.0000000000000000, -0.0000007000000000, 0.0011711400000000 ] - [ 0.0000000000000000, 0.0007912600000000, 0.0013934600000000 ] - [ -0.0000068600000000, 0.0000039600000000, 0.0006068600000000 ] - [ 0.0000068600000000, 0.0000039600000000, 0.0006068600000000 ] - [ 0.0006852500000000, -0.0003956300000000, 0.0013934600000000 ] - [ -0.0006852500000000, -0.0003956300000000, 0.0013934600000000 ] - [ 0.0000000000000000, 0.0000420000000000, 0.0005430300000000 ] - [ -0.0000363700000000, -0.0000210000000000, 0.0005430300000000 ] - [ 0.0000000000000000, -0.0000079200000000, 0.0006068600000000 ] - [ 0.0000363700000000, -0.0000210000000000, 0.0005430300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004062700000000 ] - [ -0.0000026500000000, -0.0000056800000000, -0.0004121700000000 ] - [ 0.0000026500000000, -0.0000056800000000, -0.0004121700000000 ] - [ 0.0000062400000000, 0.0000005500000000, -0.0004121700000000 ] - [ -0.0000062400000000, 0.0000005500000000, -0.0004121700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004176600000000 ] - [ 0.0000036000000000, 0.0000051300000000, -0.0004121700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004078200000000 ] - [ -0.0000036000000000, 0.0000051300000000, -0.0004121700000000 ] - [ 0.0000000000000000, -0.0042564600000000, 0.0052009400000000 ] - [ -0.0000906000000000, 0.0000523100000000, 0.0006647100000000 ] - [ 0.0000906000000000, 0.0000523100000000, 0.0006647100000000 ] - [ -0.0036862000000000, 0.0021282300000000, 0.0052009400000000 ] - [ 0.0036862000000000, 0.0021282300000000, 0.0052009400000000 ] - [ 0.0000000000000000, -0.0001468600000000, 0.0006544900000000 ] - [ 0.0001271800000000, 0.0000734300000000, 0.0006544900000000 ] - [ 0.0000000000000000, -0.0001046200000000, 0.0006647100000000 ] - [ -0.0001271800000000, 0.0000734300000000, 0.0006544900000000 ] - [ 0.0000000000000000, -0.0000214400000000, 0.0012905400000000 ] - [ 0.0000177800000000, -0.0000102700000000, 0.0012873000000000 ] - [ -0.0000177800000000, -0.0000102700000000, 0.0012873000000000 ] - [ -0.0000185700000000, 0.0000107200000000, 0.0012905400000000 ] - [ 0.0000185700000000, 0.0000107200000000, 0.0012905400000000 ] - [ 0.0000000000000000, 0.0000425600000000, 0.0012857200000000 ] - [ -0.0000368600000000, -0.0000212800000000, 0.0012857200000000 ] - [ 0.0000000000000000, 0.0000205300000000, 0.0012873000000000 ] - [ 0.0000368600000000, -0.0000212800000000, 0.0012857200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0374163800000000 ] - [ 0.0002236000000000, 0.0000341400000000, -0.0014420900000000 ] - [ -0.0002236000000000, 0.0000341400000000, -0.0014420900000000 ] - [ -0.0001413600000000, 0.0001765700000000, -0.0014420900000000 ] - [ 0.0001413600000000, 0.0001765700000000, -0.0014420900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007030300000000 ] - [ 0.0000822400000000, -0.0002107100000000, -0.0014420900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007075200000000 ] - [ -0.0000822400000000, -0.0002107100000000, -0.0014420900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008894600000000 ] - [ 0.0000554600000000, -0.0000350400000000, -0.0008346700000000 ] - [ -0.0000554600000000, -0.0000350400000000, -0.0008346700000000 ] - [ 0.0000026100000000, 0.0000655500000000, -0.0008346700000000 ] - [ -0.0000026100000000, 0.0000655500000000, -0.0008346700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009233400000000 ] - [ 0.0000580700000000, -0.0000305100000000, -0.0008346700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009710700000000 ] - [ -0.0000580700000000, -0.0000305100000000, -0.0008346700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002656000000000 ] - [ -0.0000000400000000, -0.0000011700000000, -0.0002667100000000 ] - [ 0.0000000400000000, -0.0000011700000000, -0.0002667100000000 ] - [ 0.0000010300000000, 0.0000005500000000, -0.0002667100000000 ] - [ -0.0000010300000000, 0.0000005500000000, -0.0002667100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002636600000000 ] - [ 0.0000009900000000, 0.0000006200000000, -0.0002667100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002653800000000 ] - [ -0.0000009900000000, 0.0000006200000000, -0.0002667100000000 ]- atom: 109 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000297900000000, -0.0004339500000000 ] - [ 0.0000324300000000, -0.0000187200000000, -0.0003993500000000 ] - [ -0.0000324300000000, -0.0000187200000000, -0.0003993500000000 ] - [ -0.0000258000000000, 0.0000148900000000, -0.0004339500000000 ] - [ 0.0000258000000000, 0.0000148900000000, -0.0004339500000000 ] - [ 0.0000000000000000, -0.0000037900000000, -0.0004035300000000 ] - [ 0.0000032800000000, 0.0000018900000000, -0.0004035300000000 ] - [ 0.0000000000000000, 0.0000374400000000, -0.0003993500000000 ] - [ -0.0000032800000000, 0.0000018900000000, -0.0004035300000000 ] - [ -0.0000125700000000, 0.0000072600000000, 0.0002884800000000 ] - [ 0.0000000000000000, 0.0000232100000000, 0.0002888200000000 ] - [ 0.0000125700000000, 0.0000072600000000, 0.0002884800000000 ] - [ 0.0000000000000000, -0.0000145200000000, 0.0002884800000000 ] - [ 0.0000060000000000, 0.0000034600000000, 0.0002920000000000 ] - [ -0.0000060000000000, 0.0000034600000000, 0.0002920000000000 ] - [ -0.0000201000000000, -0.0000116100000000, 0.0002888200000000 ] - [ 0.0000201000000000, -0.0000116100000000, 0.0002888200000000 ] - [ 0.0000000000000000, -0.0000069200000000, 0.0002920000000000 ] - [ -0.0079460000000000, 0.0045876200000000, -0.0085857100000000 ] - [ 0.0000000000000000, 0.0001208800000000, -0.0012115300000000 ] - [ 0.0079460000000000, 0.0045876200000000, -0.0085857100000000 ] - [ 0.0000000000000000, -0.0091752500000000, -0.0085857100000000 ] - [ 0.0004016000000000, 0.0002318600000000, -0.0016729900000000 ] - [ -0.0004016000000000, 0.0002318600000000, -0.0016729900000000 ] - [ -0.0001046900000000, -0.0000604400000000, -0.0012115300000000 ] - [ 0.0001046900000000, -0.0000604400000000, -0.0012115300000000 ] - [ 0.0000000000000000, -0.0004637200000000, -0.0016729900000000 ] - [ 0.0000189700000000, -0.0000109500000000, -0.0004183800000000 ] - [ 0.0000000000000000, -0.0000680600000000, -0.0004310900000000 ] - [ -0.0000189700000000, -0.0000109500000000, -0.0004183800000000 ] - [ 0.0000000000000000, 0.0000219000000000, -0.0004183800000000 ] - [ 0.0000419800000000, 0.0000242300000000, -0.0004865700000000 ] - [ -0.0000419800000000, 0.0000242300000000, -0.0004865700000000 ] - [ 0.0000589400000000, 0.0000340300000000, -0.0004310900000000 ] - [ -0.0000589400000000, 0.0000340300000000, -0.0004310900000000 ] - [ 0.0000000000000000, -0.0000484700000000, -0.0004865700000000 ] - [ -0.0001252900000000, 0.0000723400000000, -0.0003067700000000 ] - [ 0.0000000000000000, 0.0000855000000000, -0.0004221100000000 ] - [ 0.0001252900000000, 0.0000723400000000, -0.0003067700000000 ] - [ 0.0000000000000000, -0.0001446700000000, -0.0003067700000000 ] - [ -0.0002838700000000, -0.0001638900000000, -0.0002557400000000 ] - [ 0.0002838700000000, -0.0001638900000000, -0.0002557400000000 ] - [ -0.0000740400000000, -0.0000427500000000, -0.0004221100000000 ] - [ 0.0000740400000000, -0.0000427500000000, -0.0004221100000000 ] - [ 0.0000000000000000, 0.0003277900000000, -0.0002557400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004606600000000 ] - [ 0.0000541200000000, -0.0001108700000000, -0.0005152100000000 ] - [ -0.0000541200000000, -0.0001108700000000, -0.0005152100000000 ] - [ 0.0000689600000000, 0.0001023000000000, -0.0005152100000000 ] - [ -0.0000689600000000, 0.0001023000000000, -0.0005152100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003769600000000 ] - [ 0.0001230800000000, 0.0000085700000000, -0.0005152100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004200300000000 ] - [ -0.0001230800000000, 0.0000085700000000, -0.0005152100000000 ] - [ 0.0000000000000000, -0.0000016700000000, 0.0005872600000000 ] - [ 0.0000013700000000, -0.0000007900000000, 0.0005875400000000 ] - [ -0.0000013700000000, -0.0000007900000000, 0.0005875400000000 ] - [ -0.0000014500000000, 0.0000008400000000, 0.0005872600000000 ] - [ 0.0000014500000000, 0.0000008400000000, 0.0005872600000000 ] - [ 0.0000000000000000, 0.0000004600000000, 0.0005873000000000 ] - [ -0.0000004000000000, -0.0000002300000000, 0.0005873000000000 ] - [ 0.0000000000000000, 0.0000015800000000, 0.0005875400000000 ] - [ 0.0000004000000000, -0.0000002300000000, 0.0005873000000000 ] - [ -0.0000043700000000, 0.0000025200000000, 0.0010651100000000 ] - [ 0.0000000000000000, 0.0000043700000000, 0.0010597600000000 ] - [ 0.0000043700000000, 0.0000025200000000, 0.0010651100000000 ] - [ 0.0000000000000000, -0.0000050500000000, 0.0010651100000000 ] - [ 0.0000033700000000, 0.0000019500000000, 0.0010713500000000 ] - [ -0.0000033700000000, 0.0000019500000000, 0.0010713500000000 ] - [ -0.0000037800000000, -0.0000021800000000, 0.0010597600000000 ] - [ 0.0000037800000000, -0.0000021800000000, 0.0010597600000000 ] - [ 0.0000000000000000, -0.0000038900000000, 0.0010713500000000 ] - [ 0.0000000000000000, -0.0008291800000000, -0.0001794000000000 ] - [ 0.0000181600000000, -0.0000104800000000, 0.0006305400000000 ] - [ -0.0000181600000000, -0.0000104800000000, 0.0006305400000000 ] - [ -0.0007180900000000, 0.0004145900000000, -0.0001794000000000 ] - [ 0.0007180900000000, 0.0004145900000000, -0.0001794000000000 ] - [ 0.0000000000000000, -0.0000438300000000, 0.0006960700000000 ] - [ 0.0000379600000000, 0.0000219100000000, 0.0006960700000000 ] - [ 0.0000000000000000, 0.0000209700000000, 0.0006305400000000 ] - [ -0.0000379600000000, 0.0000219100000000, 0.0006960700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005270500000000 ] - [ -0.0000027100000000, -0.0000018800000000, -0.0005267300000000 ] - [ 0.0000027100000000, -0.0000018800000000, -0.0005267300000000 ] - [ 0.0000029800000000, -0.0000014100000000, -0.0005267300000000 ] - [ -0.0000029800000000, -0.0000014100000000, -0.0005267300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005295700000000 ] - [ 0.0000002700000000, 0.0000032800000000, -0.0005267300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005284900000000 ] - [ -0.0000002700000000, 0.0000032800000000, -0.0005267300000000 ] - [ 0.0000000000000000, 0.0041880700000000, -0.0031397900000000 ] - [ 0.0000962300000000, -0.0000555600000000, 0.0013265500000000 ] - [ -0.0000962300000000, -0.0000555600000000, 0.0013265500000000 ] - [ 0.0036269800000000, -0.0020940400000000, -0.0031397900000000 ] - [ -0.0036269800000000, -0.0020940400000000, -0.0031397900000000 ] - [ 0.0000000000000000, 0.0001469000000000, 0.0013365300000000 ] - [ -0.0001272200000000, -0.0000734500000000, 0.0013365300000000 ] - [ 0.0000000000000000, 0.0001111200000000, 0.0013265500000000 ] - [ 0.0001272200000000, -0.0000734500000000, 0.0013365300000000 ] - [ 0.0000000000000000, 0.0000173400000000, 0.0011799100000000 ] - [ -0.0000139700000000, 0.0000080600000000, 0.0011777700000000 ] - [ 0.0000139700000000, 0.0000080600000000, 0.0011777700000000 ] - [ 0.0000150200000000, -0.0000086700000000, 0.0011799100000000 ] - [ -0.0000150200000000, -0.0000086700000000, 0.0011799100000000 ] - [ 0.0000000000000000, -0.0000426500000000, 0.0011790400000000 ] - [ 0.0000369400000000, 0.0000213300000000, 0.0011790400000000 ] - [ 0.0000000000000000, -0.0000161300000000, 0.0011777700000000 ] - [ -0.0000369400000000, 0.0000213300000000, 0.0011790400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0357909700000000 ] - [ -0.0002464600000000, -0.0000450200000000, 0.0002632200000000 ] - [ 0.0002464600000000, -0.0000450200000000, 0.0002632200000000 ] - [ 0.0001622200000000, -0.0001909300000000, 0.0002632200000000 ] - [ -0.0001622200000000, -0.0001909300000000, 0.0002632200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004720300000000 ] - [ -0.0000842400000000, 0.0002359500000000, 0.0002632200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004766100000000 ] - [ 0.0000842400000000, 0.0002359500000000, 0.0002632200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009717100000000 ] - [ -0.0000567600000000, 0.0000315900000000, -0.0010209600000000 ] - [ 0.0000567600000000, 0.0000315900000000, -0.0010209600000000 ] - [ 0.0000010200000000, -0.0000649500000000, -0.0010209600000000 ] - [ -0.0000010200000000, -0.0000649500000000, -0.0010209600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009246200000000 ] - [ -0.0000557300000000, 0.0000333600000000, -0.0010209600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008878200000000 ] - [ 0.0000557300000000, 0.0000333600000000, -0.0010209600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003810200000000 ] - [ -0.0000007900000000, -0.0000010000000000, -0.0003815000000000 ] - [ 0.0000007900000000, -0.0000010000000000, -0.0003815000000000 ] - [ 0.0000012600000000, -0.0000001800000000, -0.0003815000000000 ] - [ -0.0000012600000000, -0.0000001800000000, -0.0003815000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003864500000000 ] - [ 0.0000004700000000, 0.0000011800000000, -0.0003815000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003822200000000 ] - [ -0.0000004700000000, 0.0000011800000000, -0.0003815000000000 ]- atom: 118 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000009700000000, 0.0000000300000000, -0.0005890500000000 ] - [ 0.0000603300000000, 0.0000006900000000, -0.0005222200000000 ] - [ -0.0000602500000000, -0.0000002600000000, -0.0005222900000000 ] - [ -0.0000302400000000, 0.0000514000000000, -0.0005216400000000 ] - [ 0.0000303300000000, 0.0000526600000000, -0.0005230300000000 ] - [ 0.0000004300000000, -0.0000000700000000, -0.0004978000000000 ] - [ 0.0000295300000000, -0.0000526800000000, -0.0005220400000000 ] - [ 0.0000009500000000, 0.0000000800000000, -0.0004984800000000 ] - [ -0.0000304000000000, -0.0000517300000000, -0.0005225800000000 ] - [ 0.0000521500000000, 0.0000413500000000, 0.0001873200000000 ] - [ -0.0001369600000000, 0.0000315100000000, 0.0001795100000000 ] - [ 0.0000598500000000, -0.0000451200000000, 0.0001671700000000 ] - [ 0.0001310300000000, -0.0000370800000000, 0.0001746400000000 ] - [ -0.0000371800000000, -0.0000194100000000, 0.0001215600000000 ] - [ -0.0000911100000000, -0.0000117500000000, 0.0002372000000000 ] - [ 0.0000100200000000, 0.0001216300000000, 0.0002627600000000 ] - [ 0.0000742000000000, -0.0000852100000000, 0.0000870000000000 ] - [ -0.0000575600000000, 0.0000043500000000, 0.0001773500000000 ] - [ 0.0000406000000000, 0.0000571800000000, -0.0005276900000000 ] - [ -0.0001106300000000, 0.0000538200000000, -0.0005677500000000 ] - [ 0.0000657700000000, -0.0000716800000000, -0.0006335500000000 ] - [ 0.0001648600000000, -0.0000674400000000, -0.0005244200000000 ] - [ -0.0001666200000000, -0.0001430000000000, -0.0005116100000000 ] - [ -0.0002586000000000, 0.0000889900000000, -0.0006234700000000 ] - [ -0.0000554700000000, 0.0000994200000000, -0.0004714100000000 ] - [ 0.0000617000000000, -0.0000319200000000, -0.0005767100000000 ] - [ -0.0000116200000000, 0.0000149000000000, -0.0005805900000000 ] - [ 0.0065189600000000, -0.0031469100000000, 0.0050000500000000 ] - [ -0.0012306200000000, 0.0000387800000000, -0.0005798400000000 ] - [ 0.0062756000000000, 0.0029348800000000, -0.0058409400000000 ] - [ 0.0011314000000000, -0.0000530800000000, -0.0005488100000000 ] - [ -0.0008471500000000, -0.0007723300000000, -0.0006535900000000 ] - [ -0.0009077100000000, 0.0007334900000000, -0.0004933100000000 ] - [ -0.0002487800000000, 0.0006072900000000, -0.0004842200000000 ] - [ -0.0001790600000000, -0.0005667200000000, -0.0006039800000000 ] - [ 0.0004266800000000, 0.0000056200000000, -0.0005669800000000 ] - [ -0.0000105900000000, -0.0000049700000000, -0.0004247700000000 ] - [ -0.0000019300000000, 0.0000745000000000, -0.0004175500000000 ] - [ 0.0000125600000000, -0.0000078700000000, -0.0004283200000000 ] - [ 0.0000036700000000, -0.0001066700000000, -0.0003976000000000 ] - [ 0.0000627200000000, -0.0000363700000000, -0.0004167800000000 ] - [ -0.0000657800000000, -0.0000380600000000, -0.0004182900000000 ] - [ -0.0000904900000000, 0.0000554200000000, -0.0003964400000000 ] - [ 0.0000941200000000, 0.0000510900000000, -0.0003988500000000 ] - [ -0.0000029100000000, 0.0000134100000000, -0.0004266200000000 ] - [ -0.0000008200000000, -0.0000014700000000, -0.0004209600000000 ] - [ -0.0000081000000000, -0.0000043000000000, -0.0004201900000000 ] - [ 0.0000093700000000, -0.0000055100000000, -0.0004191300000000 ] - [ 0.0000079000000000, 0.0000039700000000, -0.0004207800000000 ] - [ -0.0000088300000000, 0.0000059300000000, -0.0004215000000000 ] - [ 0.0000004300000000, 0.0000102100000000, -0.0004196500000000 ] - [ -0.0000027000000000, 0.0000001700000000, -0.0004210500000000 ] - [ 0.0000024900000000, -0.0000095400000000, -0.0004211300000000 ] - [ 0.0000001200000000, 0.0000016900000000, -0.0004207800000000 ] - [ 0.0000226700000000, -0.0000001100000000, 0.0006408800000000 ] - [ -0.0000170800000000, -0.0000344600000000, 0.0006573700000000 ] - [ -0.0000215900000000, 0.0000338600000000, 0.0006256800000000 ] - [ -0.0000142000000000, 0.0000225600000000, 0.0006247600000000 ] - [ -0.0000122300000000, -0.0000189000000000, 0.0006583000000000 ] - [ 0.0000315400000000, -0.0000002300000000, 0.0006433600000000 ] - [ 0.0000431900000000, 0.0000040800000000, 0.0006044500000000 ] - [ -0.0000784800000000, -0.0000000700000000, 0.0006432800000000 ] - [ 0.0000406800000000, -0.0000079200000000, 0.0006786700000000 ] - [ -0.0000017100000000, -0.0000007100000000, 0.0011217100000000 ] - [ 0.0000005800000000, 0.0000084800000000, 0.0011211300000000 ] - [ 0.0000008500000000, -0.0000004300000000, 0.0011228400000000 ] - [ -0.0000007000000000, -0.0000080900000000, 0.0011162000000000 ] - [ 0.0000064100000000, -0.0000034300000000, 0.0011207000000000 ] - [ -0.0000082000000000, -0.0000045700000000, 0.0011217300000000 ] - [ -0.0000065900000000, 0.0000043000000000, 0.0011157200000000 ] - [ 0.0000077700000000, 0.0000043100000000, 0.0011165400000000 ] - [ -0.0000020200000000, 0.0000016300000000, 0.0011223700000000 ] - [ -0.0000010900000000, -0.0000001000000000, 0.0006206600000000 ] - [ 0.0000113000000000, -0.0000026900000000, 0.0006163500000000 ] - [ -0.0000101000000000, 0.0000016500000000, 0.0006203400000000 ] - [ -0.0000053200000000, 0.0000088500000000, 0.0006186800000000 ] - [ 0.0000046800000000, 0.0000097500000000, 0.0006179200000000 ] - [ 0.0000029200000000, -0.0000001500000000, 0.0006177500000000 ] - [ 0.0000063900000000, -0.0000104900000000, 0.0006205000000000 ] - [ -0.0000031800000000, -0.0000001200000000, 0.0006176600000000 ] - [ -0.0000050000000000, -0.0000078900000000, 0.0006161000000000 ] - [ -0.0000001000000000, -0.0000019000000000, -0.0004666400000000 ] - [ -0.0000054900000000, -0.0000040700000000, -0.0004732100000000 ] - [ 0.0000075900000000, -0.0000038000000000, -0.0004739700000000 ] - [ 0.0000071300000000, 0.0000033700000000, -0.0004673900000000 ] - [ -0.0000075700000000, 0.0000048700000000, -0.0004687400000000 ] - [ 0.0000019800000000, 0.0000074400000000, -0.0004736100000000 ] - [ -0.0000016600000000, 0.0000000500000000, -0.0004655700000000 ] - [ 0.0000011000000000, -0.0000086000000000, -0.0004681100000000 ] - [ 0.0000013700000000, 0.0000014000000000, -0.0004677700000000 ] - [ -0.0000548900000000, 0.0000000000000000, 0.0010056100000000 ] - [ 0.0000177100000000, -0.0000161300000000, 0.0009850900000000 ] - [ 0.0000014600000000, 0.0000155600000000, 0.0010101800000000 ] - [ 0.0005096600000000, -0.0003201200000000, 0.0016901900000000 ] - [ 0.0005235900000000, 0.0003398300000000, 0.0002917500000000 ] - [ 0.0001584300000000, -0.0000001300000000, 0.0009920600000000 ] - [ 0.0000290900000000, -0.0000843300000000, 0.0009610100000000 ] - [ -0.0000178600000000, -0.0000001300000000, 0.0009929900000000 ] - [ 0.0000204000000000, 0.0000700700000000, 0.0010343400000000 ] - [ -0.0021527800000000, 0.0000062300000000, 0.0012334600000000 ] - [ -0.0003066600000000, 0.0000423900000000, 0.0011393900000000 ] - [ -0.0003053600000000, -0.0000390800000000, 0.0013267500000000 ] - [ 0.0016643100000000, -0.0021899600000000, -0.0024097900000000 ] - [ 0.0016619900000000, 0.0022164000000000, 0.0049022100000000 ] - [ 0.0003409700000000, 0.0000006900000000, 0.0012318000000000 ] - [ 0.0001299700000000, -0.0001265500000000, 0.0013615200000000 ] - [ -0.0002354600000000, 0.0000010400000000, 0.0012317300000000 ] - [ 0.0001257700000000, 0.0001195400000000, 0.0011070600000000 ] - [ -0.0000316300000000, -0.0000007400000000, -0.0005944500000000 ] - [ 0.0000408800000000, -0.0000444700000000, -0.0006435900000000 ] - [ 0.0000542200000000, 0.0000366200000000, -0.0005315200000000 ] - [ -0.0000216800000000, -0.0000727700000000, -0.0005363100000000 ] - [ -0.0000357500000000, 0.0000818700000000, -0.0006500000000000 ] - [ -0.0000336700000000, 0.0000079800000000, -0.0005875200000000 ] - [ -0.0000231100000000, -0.0000066500000000, -0.0005937800000000 ] - [ 0.0000366300000000, -0.0000079400000000, -0.0005926900000000 ] - [ -0.0000217600000000, 0.0000075800000000, -0.0005953600000000 ] - [ -0.0284599600000000, 0.0001826000000000, -0.0011869100000000 ] - [ 0.0058309300000000, 0.0003972600000000, -0.0011621600000000 ] - [ 0.0057411800000000, -0.0003921600000000, -0.0006922600000000 ] - [ 0.0010238000000000, -0.0023515100000000, -0.0008444800000000 ] - [ 0.0010119600000000, 0.0023645500000000, -0.0010107000000000 ] - [ 0.0000531100000000, 0.0000036300000000, -0.0009235000000000 ] - [ 0.0010196700000000, -0.0031576400000000, -0.0010849900000000 ] - [ 0.0000532100000000, -0.0000037300000000, -0.0009287000000000 ] - [ 0.0010161400000000, 0.0031370800000000, -0.0007813100000000 ] - [ -0.0000312600000000, 0.0000014300000000, -0.0003237200000000 ] - [ 0.0000449600000000, -0.0000343600000000, -0.0002678200000000 ] - [ 0.0000501800000000, 0.0000319400000000, -0.0003833300000000 ] - [ -0.0000212400000000, -0.0000799900000000, -0.0004416000000000 ] - [ -0.0000232800000000, 0.0000816500000000, -0.0002063100000000 ] - [ 0.0000364900000000, 0.0000030000000000, -0.0003252200000000 ] - [ -0.0000277100000000, -0.0000039000000000, -0.0003837400000000 ] - [ -0.0000335500000000, -0.0000009400000000, -0.0003241500000000 ] - [ -0.0000296000000000, 0.0000030800000000, -0.0002640200000000 ]- atom: 118 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000353700000000, -0.0006541300000000 ] - [ 0.0000305900000000, -0.0000176600000000, -0.0006247900000000 ] - [ -0.0000305900000000, -0.0000176600000000, -0.0006247900000000 ] - [ -0.0000306300000000, 0.0000176800000000, -0.0006541300000000 ] - [ 0.0000306300000000, 0.0000176800000000, -0.0006541300000000 ] - [ 0.0000000000000000, 0.0000018700000000, -0.0006245000000000 ] - [ -0.0000016200000000, -0.0000009300000000, -0.0006245000000000 ] - [ 0.0000000000000000, 0.0000353200000000, -0.0006247900000000 ] - [ 0.0000016200000000, -0.0000009300000000, -0.0006245000000000 ] - [ -0.0000448900000000, 0.0000259200000000, 0.0000383300000000 ] - [ 0.0000000000000000, 0.0001158900000000, 0.0000559300000000 ] - [ 0.0000448900000000, 0.0000259200000000, 0.0000383300000000 ] - [ 0.0000000000000000, -0.0000518400000000, 0.0000383300000000 ] - [ -0.0000269300000000, -0.0000155500000000, 0.0000969100000000 ] - [ 0.0000269300000000, -0.0000155500000000, 0.0000969100000000 ] - [ -0.0001003600000000, -0.0000579400000000, 0.0000559300000000 ] - [ 0.0001003600000000, -0.0000579400000000, 0.0000559300000000 ] - [ 0.0000000000000000, 0.0000310900000000, 0.0000969100000000 ] - [ 0.0000650700000000, -0.0000375700000000, -0.0006724000000000 ] - [ 0.0000000000000000, 0.0000159500000000, -0.0005242900000000 ] - [ -0.0000650700000000, -0.0000375700000000, -0.0006724000000000 ] - [ 0.0000000000000000, 0.0000751400000000, -0.0006724000000000 ] - [ 0.0003042800000000, 0.0001756700000000, -0.0007359600000000 ] - [ -0.0003042800000000, 0.0001756700000000, -0.0007359600000000 ] - [ -0.0000138100000000, -0.0000079800000000, -0.0005242900000000 ] - [ 0.0000138100000000, -0.0000079800000000, -0.0005242900000000 ] - [ 0.0000000000000000, -0.0003513500000000, -0.0007359600000000 ] - [ 0.0081571800000000, -0.0047095500000000, 0.0075627300000000 ] - [ 0.0000000000000000, -0.0000553900000000, 0.0001204100000000 ] - [ -0.0081571800000000, -0.0047095500000000, 0.0075627300000000 ] - [ 0.0000000000000000, 0.0094191000000000, 0.0075627300000000 ] - [ -0.0003798900000000, -0.0002193300000000, 0.0005343000000000 ] - [ 0.0003798900000000, -0.0002193300000000, 0.0005343000000000 ] - [ 0.0000479600000000, 0.0000276900000000, 0.0001204100000000 ] - [ -0.0000479600000000, 0.0000276900000000, 0.0001204100000000 ] - [ 0.0000000000000000, 0.0004386600000000, 0.0005343000000000 ] - [ -0.0000367100000000, 0.0000212000000000, -0.0005283300000000 ] - [ 0.0000000000000000, 0.0000664800000000, -0.0005169900000000 ] - [ 0.0000367100000000, 0.0000212000000000, -0.0005283300000000 ] - [ 0.0000000000000000, -0.0000423900000000, -0.0005283300000000 ] - [ 0.0000175100000000, 0.0000101100000000, -0.0005305900000000 ] - [ -0.0000175100000000, 0.0000101100000000, -0.0005305900000000 ] - [ -0.0000575700000000, -0.0000332400000000, -0.0005169900000000 ] - [ 0.0000575700000000, -0.0000332400000000, -0.0005169900000000 ] - [ 0.0000000000000000, -0.0000202200000000, -0.0005305900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003643700000000 ] - [ -0.0000037800000000, -0.0000053100000000, -0.0003640900000000 ] - [ 0.0000037800000000, -0.0000053100000000, -0.0003640900000000 ] - [ 0.0000064900000000, -0.0000006200000000, -0.0003640900000000 ] - [ -0.0000064900000000, -0.0000006200000000, -0.0003640900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003622400000000 ] - [ 0.0000027100000000, 0.0000059300000000, -0.0003640900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003604400000000 ] - [ -0.0000027100000000, 0.0000059300000000, -0.0003640900000000 ] - [ 0.0000000000000000, -0.0000206300000000, 0.0006966300000000 ] - [ 0.0000172100000000, -0.0000099300000000, 0.0006968400000000 ] - [ -0.0000172100000000, -0.0000099300000000, 0.0006968400000000 ] - [ -0.0000178700000000, 0.0000103100000000, 0.0006966300000000 ] - [ 0.0000178700000000, 0.0000103100000000, 0.0006966300000000 ] - [ 0.0000000000000000, 0.0000425900000000, 0.0006955400000000 ] - [ -0.0000368900000000, -0.0000213000000000, 0.0006955400000000 ] - [ 0.0000000000000000, 0.0000198700000000, 0.0006968400000000 ] - [ 0.0000368900000000, -0.0000213000000000, 0.0006955400000000 ] - [ -0.0000029700000000, 0.0000017100000000, 0.0011740100000000 ] - [ 0.0000000000000000, 0.0000056000000000, 0.0011724300000000 ] - [ 0.0000029700000000, 0.0000017100000000, 0.0011740100000000 ] - [ 0.0000000000000000, -0.0000034300000000, 0.0011740100000000 ] - [ 0.0000013500000000, 0.0000007800000000, 0.0011763500000000 ] - [ -0.0000013500000000, 0.0000007800000000, 0.0011763500000000 ] - [ -0.0000048500000000, -0.0000028000000000, 0.0011724300000000 ] - [ 0.0000048500000000, -0.0000028000000000, 0.0011724300000000 ] - [ 0.0000000000000000, -0.0000015500000000, 0.0011763500000000 ] - [ 0.0000000000000000, -0.0000055700000000, 0.0006722300000000 ] - [ 0.0000033600000000, -0.0000019400000000, 0.0006798000000000 ] - [ -0.0000033600000000, -0.0000019400000000, 0.0006798000000000 ] - [ -0.0000048200000000, 0.0000027800000000, 0.0006722300000000 ] - [ 0.0000048200000000, 0.0000027800000000, 0.0006722300000000 ] - [ 0.0000000000000000, -0.0000028300000000, 0.0006722100000000 ] - [ 0.0000024500000000, 0.0000014100000000, 0.0006722100000000 ] - [ 0.0000000000000000, 0.0000038800000000, 0.0006798000000000 ] - [ -0.0000024500000000, 0.0000014100000000, 0.0006722100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004098300000000 ] - [ -0.0000023400000000, -0.0000040100000000, -0.0004129500000000 ] - [ 0.0000023400000000, -0.0000040100000000, -0.0004129500000000 ] - [ 0.0000046400000000, -0.0000000200000000, -0.0004129500000000 ] - [ -0.0000046400000000, -0.0000000200000000, -0.0004129500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004129700000000 ] - [ 0.0000023000000000, 0.0000040300000000, -0.0004129500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004107800000000 ] - [ -0.0000023000000000, 0.0000040300000000, -0.0004129500000000 ] - [ 0.0000000000000000, 0.0007904100000000, 0.0017754000000000 ] - [ -0.0000083100000000, 0.0000048000000000, 0.0009851900000000 ] - [ 0.0000083100000000, 0.0000048000000000, 0.0009851900000000 ] - [ 0.0006845200000000, -0.0003952100000000, 0.0017754000000000 ] - [ -0.0006845200000000, -0.0003952100000000, 0.0017754000000000 ] - [ 0.0000000000000000, 0.0000417700000000, 0.0009221100000000 ] - [ -0.0000361700000000, -0.0000208800000000, 0.0009221100000000 ] - [ 0.0000000000000000, -0.0000095900000000, 0.0009851900000000 ] - [ 0.0000361700000000, -0.0000208800000000, 0.0009221100000000 ] - [ 0.0000000000000000, -0.0042550800000000, 0.0054380000000000 ] - [ -0.0000928300000000, 0.0000535900000000, 0.0009022500000000 ] - [ 0.0000928300000000, 0.0000535900000000, 0.0009022500000000 ] - [ -0.0036850100000000, 0.0021275400000000, 0.0054380000000000 ] - [ 0.0036850100000000, 0.0021275400000000, 0.0054380000000000 ] - [ 0.0000000000000000, -0.0001469700000000, 0.0008920200000000 ] - [ 0.0001272800000000, 0.0000734800000000, 0.0008920200000000 ] - [ 0.0000000000000000, -0.0001071900000000, 0.0009022500000000 ] - [ -0.0001272800000000, 0.0000734800000000, 0.0008920200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005536600000000 ] - [ -0.0000595500000000, 0.0000973800000000, -0.0004999200000000 ] - [ 0.0000595500000000, 0.0000973800000000, -0.0004999200000000 ] - [ -0.0000545600000000, -0.0001002700000000, -0.0004999200000000 ] - [ 0.0000545600000000, -0.0001002700000000, -0.0004999200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006287500000000 ] - [ -0.0001141100000000, 0.0000028900000000, -0.0004999200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005925500000000 ] - [ 0.0001141100000000, 0.0000028900000000, -0.0004999200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0377589600000000 ] - [ 0.0002253900000000, 0.0000362600000000, -0.0017792800000000 ] - [ -0.0002253900000000, 0.0000362600000000, -0.0017792800000000 ] - [ -0.0001441000000000, 0.0001770600000000, -0.0017792800000000 ] - [ 0.0001441000000000, 0.0001770600000000, -0.0017792800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010399200000000 ] - [ 0.0000812900000000, -0.0002133200000000, -0.0017792800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010442600000000 ] - [ -0.0000812900000000, -0.0002133200000000, -0.0017792800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002835300000000 ] - [ 0.0000555500000000, -0.0000342300000000, -0.0002318800000000 ] - [ -0.0000555500000000, -0.0000342300000000, -0.0002318800000000 ] - [ 0.0000018700000000, 0.0000652300000000, -0.0002318800000000 ] - [ -0.0000018700000000, 0.0000652300000000, -0.0002318800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003254400000000 ] - [ 0.0000574200000000, -0.0000309900000000, -0.0002318800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003664100000000 ] - [ -0.0000574200000000, -0.0000309900000000, -0.0002318800000000 ]- atom: 118 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000343000000000, -0.0004330200000000 ] - [ 0.0000296400000000, -0.0000171100000000, -0.0004018600000000 ] - [ -0.0000296400000000, -0.0000171100000000, -0.0004018600000000 ] - [ -0.0000297000000000, 0.0000171500000000, -0.0004330200000000 ] - [ 0.0000297000000000, 0.0000171500000000, -0.0004330200000000 ] - [ 0.0000000000000000, -0.0000017100000000, -0.0004017300000000 ] - [ 0.0000014800000000, 0.0000008600000000, -0.0004017300000000 ] - [ 0.0000000000000000, 0.0000342200000000, -0.0004018600000000 ] - [ -0.0000014800000000, 0.0000008600000000, -0.0004017300000000 ] - [ 0.0000207500000000, -0.0000119800000000, 0.0003148400000000 ] - [ 0.0000000000000000, -0.0000696200000000, 0.0002974700000000 ] - [ -0.0000207500000000, -0.0000119800000000, 0.0003148400000000 ] - [ 0.0000000000000000, 0.0000239500000000, 0.0003148400000000 ] - [ 0.0000424000000000, 0.0000244800000000, 0.0002610900000000 ] - [ -0.0000424000000000, 0.0000244800000000, 0.0002610900000000 ] - [ 0.0000602900000000, 0.0000348100000000, 0.0002974700000000 ] - [ -0.0000602900000000, 0.0000348100000000, 0.0002974700000000 ] - [ 0.0000000000000000, -0.0000489500000000, 0.0002610900000000 ] - [ -0.0001141500000000, 0.0000659000000000, -0.0004503500000000 ] - [ 0.0000000000000000, 0.0000654000000000, -0.0005555900000000 ] - [ 0.0001141500000000, 0.0000659000000000, -0.0004503500000000 ] - [ 0.0000000000000000, -0.0001318100000000, -0.0004503500000000 ] - [ -0.0002893900000000, -0.0001670800000000, -0.0004063500000000 ] - [ 0.0002893900000000, -0.0001670800000000, -0.0004063500000000 ] - [ -0.0000566400000000, -0.0000327000000000, -0.0005555900000000 ] - [ 0.0000566400000000, -0.0000327000000000, -0.0005555900000000 ] - [ 0.0000000000000000, 0.0003341600000000, -0.0004063500000000 ] - [ -0.0079405700000000, 0.0045844900000000, -0.0085822800000000 ] - [ 0.0000000000000000, 0.0001050500000000, -0.0012253600000000 ] - [ 0.0079405700000000, 0.0045844900000000, -0.0085822800000000 ] - [ 0.0000000000000000, -0.0091689800000000, -0.0085822800000000 ] - [ 0.0003973400000000, 0.0002294000000000, -0.0016699000000000 ] - [ -0.0003973400000000, 0.0002294000000000, -0.0016699000000000 ] - [ -0.0000909700000000, -0.0000525200000000, -0.0012253600000000 ] - [ 0.0000909700000000, -0.0000525200000000, -0.0012253600000000 ] - [ 0.0000000000000000, -0.0004588100000000, -0.0016699000000000 ] - [ -0.0000327100000000, 0.0000188800000000, -0.0003049800000000 ] - [ 0.0000000000000000, 0.0000541600000000, -0.0002910000000000 ] - [ 0.0000327100000000, 0.0000188800000000, -0.0003049800000000 ] - [ 0.0000000000000000, -0.0000377700000000, -0.0003049800000000 ] - [ 0.0000176000000000, 0.0000101600000000, -0.0003100800000000 ] - [ -0.0000176000000000, 0.0000101600000000, -0.0003100800000000 ] - [ -0.0000469000000000, -0.0000270800000000, -0.0002910000000000 ] - [ 0.0000469000000000, -0.0000270800000000, -0.0002910000000000 ] - [ 0.0000000000000000, -0.0000203200000000, -0.0003100800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004783700000000 ] - [ -0.0000029800000000, -0.0000039300000000, -0.0004779600000000 ] - [ 0.0000029800000000, -0.0000039300000000, -0.0004779600000000 ] - [ 0.0000049000000000, -0.0000006200000000, -0.0004779600000000 ] - [ -0.0000049000000000, -0.0000006200000000, -0.0004779600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004779200000000 ] - [ 0.0000019100000000, 0.0000045500000000, -0.0004779600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004829100000000 ] - [ -0.0000019100000000, 0.0000045500000000, -0.0004779600000000 ] - [ 0.0000000000000000, 0.0000181400000000, 0.0005862200000000 ] - [ -0.0000147900000000, 0.0000085400000000, 0.0005875100000000 ] - [ 0.0000147900000000, 0.0000085400000000, 0.0005875100000000 ] - [ 0.0000157100000000, -0.0000090700000000, 0.0005862200000000 ] - [ -0.0000157100000000, -0.0000090700000000, 0.0005862200000000 ] - [ 0.0000000000000000, -0.0000427000000000, 0.0005890200000000 ] - [ 0.0000369800000000, 0.0000213500000000, 0.0005890200000000 ] - [ 0.0000000000000000, -0.0000170800000000, 0.0005875100000000 ] - [ -0.0000369800000000, 0.0000213500000000, 0.0005890200000000 ] - [ -0.0000026500000000, 0.0000015300000000, 0.0010667900000000 ] - [ 0.0000000000000000, 0.0000054500000000, 0.0010634600000000 ] - [ 0.0000026500000000, 0.0000015300000000, 0.0010667900000000 ] - [ 0.0000000000000000, -0.0000030600000000, 0.0010667900000000 ] - [ 0.0000025900000000, 0.0000015000000000, 0.0010669800000000 ] - [ -0.0000025900000000, 0.0000015000000000, 0.0010669800000000 ] - [ -0.0000047200000000, -0.0000027300000000, 0.0010634600000000 ] - [ 0.0000047200000000, -0.0000027300000000, 0.0010634600000000 ] - [ 0.0000000000000000, -0.0000029900000000, 0.0010669800000000 ] - [ 0.0000000000000000, -0.0000065000000000, 0.0005666300000000 ] - [ 0.0000075900000000, -0.0000043800000000, 0.0005568800000000 ] - [ -0.0000075900000000, -0.0000043800000000, 0.0005568800000000 ] - [ -0.0000056300000000, 0.0000032500000000, 0.0005666300000000 ] - [ 0.0000056300000000, 0.0000032500000000, 0.0005666300000000 ] - [ 0.0000000000000000, 0.0000023300000000, 0.0005647300000000 ] - [ -0.0000020200000000, -0.0000011700000000, 0.0005647300000000 ] - [ 0.0000000000000000, 0.0000087600000000, 0.0005568800000000 ] - [ 0.0000020200000000, -0.0000011700000000, 0.0005647300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005246100000000 ] - [ -0.0000030000000000, -0.0000035900000000, -0.0005270700000000 ] - [ 0.0000030000000000, -0.0000035900000000, -0.0005270700000000 ] - [ 0.0000046100000000, -0.0000008100000000, -0.0005270700000000 ] - [ -0.0000046100000000, -0.0000008100000000, -0.0005270700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005353600000000 ] - [ 0.0000016100000000, 0.0000043900000000, -0.0005270700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005265500000000 ] - [ -0.0000016100000000, 0.0000043900000000, -0.0005270700000000 ] - [ 0.0000000000000000, -0.0008255300000000, 0.0002013500000000 ] - [ 0.0000168800000000, -0.0000097500000000, 0.0010082800000000 ] - [ -0.0000168800000000, -0.0000097500000000, 0.0010082800000000 ] - [ -0.0007149300000000, 0.0004127700000000, 0.0002013500000000 ] - [ 0.0007149300000000, 0.0004127700000000, 0.0002013500000000 ] - [ 0.0000000000000000, -0.0000431800000000, 0.0010726200000000 ] - [ 0.0000373900000000, 0.0000215900000000, 0.0010726200000000 ] - [ 0.0000000000000000, 0.0000194900000000, 0.0010082800000000 ] - [ -0.0000373900000000, 0.0000215900000000, 0.0010726200000000 ] - [ 0.0000000000000000, 0.0041917700000000, -0.0029049900000000 ] - [ 0.0000939800000000, -0.0000542600000000, 0.0015642200000000 ] - [ -0.0000939800000000, -0.0000542600000000, 0.0015642200000000 ] - [ 0.0036301800000000, -0.0020958800000000, -0.0029049900000000 ] - [ -0.0036301800000000, -0.0020958800000000, -0.0029049900000000 ] - [ 0.0000000000000000, 0.0001470100000000, 0.0015742700000000 ] - [ -0.0001273200000000, -0.0000735100000000, 0.0015742700000000 ] - [ 0.0000000000000000, 0.0001085200000000, 0.0015642200000000 ] - [ 0.0001273200000000, -0.0000735100000000, 0.0015742700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006353700000000 ] - [ 0.0000561000000000, -0.0001076900000000, -0.0006852400000000 ] - [ -0.0000561000000000, -0.0001076900000000, -0.0006852400000000 ] - [ 0.0000652200000000, 0.0001024300000000, -0.0006852400000000 ] - [ -0.0000652200000000, 0.0001024300000000, -0.0006852400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005443400000000 ] - [ 0.0001213200000000, 0.0000052600000000, -0.0006852400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005924800000000 ] - [ -0.0001213200000000, 0.0000052600000000, -0.0006852400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0354664700000000 ] - [ -0.0002446100000000, -0.0000430500000000, -0.0000733200000000 ] - [ 0.0002446100000000, -0.0000430500000000, -0.0000733200000000 ] - [ 0.0001595800000000, -0.0001903100000000, -0.0000733200000000 ] - [ -0.0001595800000000, -0.0001903100000000, -0.0000733200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008092700000000 ] - [ -0.0000850200000000, 0.0002333600000000, -0.0000733200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008136200000000 ] - [ 0.0000850200000000, 0.0002333600000000, -0.0000733200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003646600000000 ] - [ -0.0000563300000000, 0.0000320000000000, -0.0004175200000000 ] - [ 0.0000563300000000, 0.0000320000000000, -0.0004175200000000 ] - [ 0.0000004500000000, -0.0000647800000000, -0.0004175200000000 ] - [ -0.0000004500000000, -0.0000647800000000, -0.0004175200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003260000000000 ] - [ -0.0000558800000000, 0.0000327800000000, -0.0004175200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002830400000000 ] - [ 0.0000558800000000, 0.0000327800000000, -0.0004175200000000 ]- atom: 127 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000404000000000, 0.0000000500000000, -0.0005888700000000 ] - [ 0.0000902000000000, 0.0000999600000000, -0.0005622000000000 ] - [ -0.0000305500000000, -0.0000993900000000, -0.0004820400000000 ] - [ 0.0000256200000000, -0.0000034800000000, -0.0004423400000000 ] - [ 0.0000863000000000, 0.0001078700000000, -0.0006022800000000 ] - [ -0.0001174000000000, 0.0000001100000000, -0.0004977600000000 ] - [ -0.0000680400000000, -0.0000412600000000, -0.0004829800000000 ] - [ 0.0002025400000000, -0.0000001300000000, -0.0004985700000000 ] - [ -0.0001279800000000, -0.0000637000000000, -0.0005617200000000 ] - [ 0.0065168200000000, -0.0031419200000000, 0.0057371500000000 ] - [ -0.0012307400000000, 0.0000373700000000, 0.0001709600000000 ] - [ 0.0062686100000000, 0.0029328800000000, -0.0050955400000000 ] - [ 0.0011329500000000, -0.0000496500000000, 0.0001682300000000 ] - [ -0.0008476700000000, -0.0007711900000000, 0.0000966500000000 ] - [ -0.0009056600000000, 0.0007337200000000, 0.0002580300000000 ] - [ -0.0002455600000000, 0.0006057800000000, 0.0002341100000000 ] - [ -0.0001817600000000, -0.0005686900000000, 0.0001120900000000 ] - [ 0.0004265600000000, 0.0000028600000000, 0.0001744400000000 ] - [ -0.0000109500000000, -0.0000055200000000, -0.0005787400000000 ] - [ -0.0000022400000000, 0.0000533700000000, -0.0005676200000000 ] - [ 0.0000133100000000, -0.0000082500000000, -0.0005822300000000 ] - [ 0.0000036200000000, -0.0000672400000000, -0.0005235200000000 ] - [ 0.0000445500000000, -0.0000259800000000, -0.0005669100000000 ] - [ -0.0000475200000000, -0.0000271900000000, -0.0005681500000000 ] - [ -0.0000566900000000, 0.0000358100000000, -0.0005221300000000 ] - [ 0.0000598800000000, 0.0000313800000000, -0.0005248200000000 ] - [ -0.0000024500000000, 0.0000140900000000, -0.0005804100000000 ] - [ 0.0000462000000000, 0.0000603800000000, -0.0005117700000000 ] - [ -0.0001101900000000, 0.0000334000000000, -0.0005712900000000 ] - [ 0.0000597800000000, -0.0000679600000000, -0.0006163900000000 ] - [ 0.0001642000000000, -0.0000408700000000, -0.0005430900000000 ] - [ -0.0001837200000000, -0.0001323300000000, -0.0005153700000000 ] - [ -0.0002402000000000, 0.0000986600000000, -0.0006269800000000 ] - [ -0.0000321700000000, 0.0000859400000000, -0.0004904300000000 ] - [ 0.0000387300000000, -0.0000450900000000, -0.0005951700000000 ] - [ -0.0000118800000000, 0.0000081800000000, -0.0005641300000000 ] - [ -0.0000110500000000, -0.0000046900000000, -0.0004255800000000 ] - [ -0.0000005600000000, 0.0000745200000000, -0.0004175000000000 ] - [ 0.0000121000000000, -0.0000081400000000, -0.0004273700000000 ] - [ 0.0000036900000000, -0.0001066500000000, -0.0003975300000000 ] - [ 0.0000617200000000, -0.0000363000000000, -0.0004181200000000 ] - [ -0.0000667400000000, -0.0000381600000000, -0.0004168400000000 ] - [ -0.0000902300000000, 0.0000547800000000, -0.0003957000000000 ] - [ 0.0000944000000000, 0.0000517000000000, -0.0003994800000000 ] - [ -0.0000040500000000, 0.0000134300000000, -0.0004265500000000 ] - [ 0.0000004400000000, -0.0000014800000000, -0.0004209300000000 ] - [ -0.0000086400000000, -0.0000059200000000, -0.0004198000000000 ] - [ 0.0000088300000000, -0.0000038700000000, -0.0004193800000000 ] - [ 0.0000077800000000, 0.0000052400000000, -0.0004225700000000 ] - [ -0.0000089400000000, 0.0000046600000000, -0.0004195800000000 ] - [ 0.0000011300000000, 0.0000102100000000, -0.0004196100000000 ] - [ -0.0000005300000000, 0.0000007100000000, -0.0004225000000000 ] - [ -0.0000021600000000, -0.0000095300000000, -0.0004210900000000 ] - [ 0.0000023000000000, 0.0000011400000000, -0.0004191900000000 ] - [ -0.0021448800000000, 0.0000062300000000, 0.0006356900000000 ] - [ -0.0003076200000000, 0.0000410100000000, 0.0005472100000000 ] - [ -0.0003036100000000, -0.0000377100000000, 0.0007339700000000 ] - [ 0.0016658700000000, -0.0021871100000000, -0.0030038800000000 ] - [ 0.0016621800000000, 0.0022111100000000, 0.0043111400000000 ] - [ 0.0003420900000000, 0.0000006900000000, 0.0006451200000000 ] - [ 0.0001293500000000, -0.0001259700000000, 0.0007703500000000 ] - [ -0.0002374200000000, 0.0000010500000000, 0.0006444800000000 ] - [ 0.0001265400000000, 0.0001213300000000, 0.0005131800000000 ] - [ -0.0000206900000000, -0.0000086400000000, 0.0011156400000000 ] - [ 0.0000510300000000, 0.0000085200000000, 0.0011211300000000 ] - [ -0.0000181600000000, 0.0000074700000000, 0.0011289500000000 ] - [ -0.0000334000000000, -0.0000081700000000, 0.0011162800000000 ] - [ 0.0000222300000000, -0.0000035500000000, 0.0011462900000000 ] - [ 0.0000078400000000, -0.0000045600000000, 0.0010962600000000 ] - [ -0.0000189100000000, -0.0000318100000000, 0.0010578900000000 ] - [ -0.0000044600000000, 0.0000406300000000, 0.0011744100000000 ] - [ 0.0000141300000000, 0.0000016900000000, 0.0011224200000000 ] - [ 0.0000010900000000, -0.0000001100000000, 0.0006206700000000 ] - [ 0.0000100400000000, -0.0000009200000000, 0.0006194700000000 ] - [ -0.0000117000000000, -0.0000003300000000, 0.0006174700000000 ] - [ -0.0000048100000000, 0.0000098100000000, 0.0006175700000000 ] - [ 0.0000052000000000, 0.0000087800000000, 0.0006190400000000 ] - [ 0.0000006300000000, -0.0000001500000000, 0.0006177500000000 ] - [ 0.0000068700000000, -0.0000089000000000, 0.0006180500000000 ] - [ -0.0000012400000000, 0.0000000800000000, 0.0006177700000000 ] - [ -0.0000044900000000, -0.0000095000000000, 0.0006185800000000 ] - [ -0.0000075000000000, -0.0000019100000000, -0.0004666800000000 ] - [ 0.0000107600000000, -0.0000311200000000, -0.0004236900000000 ] - [ 0.0000241500000000, 0.0000233500000000, -0.0005238400000000 ] - [ -0.0000222100000000, -0.0000469200000000, -0.0005849200000000 ] - [ -0.0000368600000000, 0.0000552500000000, -0.0003508000000000 ] - [ 0.0000360800000000, 0.0000074900000000, -0.0004733800000000 ] - [ -0.0000284000000000, -0.0000007300000000, -0.0005338200000000 ] - [ -0.0000137400000000, -0.0000085000000000, -0.0004681300000000 ] - [ -0.0000250500000000, 0.0000023600000000, -0.0003999000000000 ] - [ -0.0000010700000000, -0.0000001200000000, 0.0010057400000000 ] - [ 0.0000087800000000, -0.0000024100000000, 0.0009953300000000 ] - [ -0.0000075000000000, 0.0000019300000000, 0.0009994000000000 ] - [ -0.0000042700000000, 0.0000064900000000, 0.0009977000000000 ] - [ 0.0000036400000000, 0.0000073500000000, 0.0009970300000000 ] - [ 0.0000029300000000, -0.0000001500000000, 0.0009922900000000 ] - [ 0.0000048700000000, -0.0000084000000000, 0.0009994400000000 ] - [ -0.0000031100000000, -0.0000001100000000, 0.0009927000000000 ] - [ -0.0000034200000000, -0.0000058200000000, 0.0009951700000000 ] - [ -0.0000546300000000, -0.0000000300000000, 0.0012386200000000 ] - [ 0.0000131800000000, -0.0000161300000000, 0.0012219800000000 ] - [ 0.0000059300000000, 0.0000154800000000, 0.0012469500000000 ] - [ 0.0005115400000000, -0.0003236000000000, 0.0019264900000000 ] - [ 0.0005209500000000, 0.0003356200000000, 0.0005292500000000 ] - [ 0.0001576700000000, -0.0000001000000000, 0.0012300000000000 ] - [ 0.0000266900000000, -0.0000801000000000, 0.0011982700000000 ] - [ -0.0000178200000000, -0.0000001600000000, 0.0012309100000000 ] - [ 0.0000224400000000, 0.0000736200000000, 0.0012708700000000 ] - [ -0.0000008600000000, -0.0000008400000000, -0.0005945000000000 ] - [ -0.0000059100000000, -0.0000030700000000, -0.0005878000000000 ] - [ 0.0000072800000000, -0.0000042300000000, -0.0005871200000000 ] - [ 0.0000064300000000, 0.0000031000000000, -0.0005926200000000 ] - [ -0.0000074100000000, 0.0000050900000000, -0.0005931900000000 ] - [ 0.0000004100000000, 0.0000077200000000, -0.0005875100000000 ] - [ -0.0000021500000000, -0.0000001800000000, -0.0005945000000000 ] - [ 0.0000024700000000, -0.0000078600000000, -0.0005929200000000 ] - [ -0.0000004000000000, 0.0000014400000000, -0.0005943600000000 ] - [ -0.0000314400000000, 0.0000011200000000, -0.0009304900000000 ] - [ 0.0000445400000000, -0.0000422100000000, -0.0009801700000000 ] - [ 0.0000503300000000, 0.0000387000000000, -0.0008682500000000 ] - [ -0.0000258700000000, -0.0000749900000000, -0.0008729200000000 ] - [ -0.0000314000000000, 0.0000791900000000, -0.0009862400000000 ] - [ -0.0000335000000000, 0.0000036700000000, -0.0009241500000000 ] - [ -0.0000213900000000, -0.0000076000000000, -0.0009300700000000 ] - [ 0.0000365800000000, -0.0000030300000000, -0.0009291400000000 ] - [ -0.0000232500000000, 0.0000066100000000, -0.0009313400000000 ] - [ -0.0284548600000000, 0.0001830500000000, -0.0005864000000000 ] - [ 0.0058295900000000, 0.0003962000000000, -0.0005597600000000 ] - [ 0.0057390600000000, -0.0003907000000000, -0.0000968100000000 ] - [ 0.0010223700000000, -0.0023525400000000, -0.0002398400000000 ] - [ 0.0010137900000000, 0.0023637700000000, -0.0004045400000000 ] - [ 0.0000529700000000, 0.0000032100000000, -0.0003245900000000 ] - [ 0.0010202500000000, -0.0031554900000000, -0.0004751900000000 ] - [ 0.0000530700000000, -0.0000018400000000, -0.0003233100000000 ] - [ 0.0010159500000000, 0.0031344900000000, -0.0001770500000000 ]- atom: 127 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000245700000000, -0.0006936300000000 ] - [ -0.0000385300000000, 0.0000222500000000, -0.0006008400000000 ] - [ 0.0000385300000000, 0.0000222500000000, -0.0006008400000000 ] - [ 0.0000212800000000, -0.0000122900000000, -0.0006936300000000 ] - [ -0.0000212800000000, -0.0000122900000000, -0.0006936300000000 ] - [ 0.0000000000000000, -0.0000763500000000, -0.0006175500000000 ] - [ 0.0000661300000000, 0.0000381800000000, -0.0006175500000000 ] - [ 0.0000000000000000, -0.0000444900000000, -0.0006008400000000 ] - [ -0.0000661300000000, 0.0000381800000000, -0.0006175500000000 ] - [ 0.0081501900000000, -0.0047055100000000, 0.0082934700000000 ] - [ 0.0000000000000000, -0.0000577400000000, 0.0008505700000000 ] - [ -0.0081501900000000, -0.0047055100000000, 0.0082934700000000 ] - [ 0.0000000000000000, 0.0094110300000000, 0.0082934700000000 ] - [ -0.0003803600000000, -0.0002196000000000, 0.0012823100000000 ] - [ 0.0003803600000000, -0.0002196000000000, 0.0012823100000000 ] - [ 0.0000500000000000, 0.0000288700000000, 0.0008505700000000 ] - [ -0.0000500000000000, 0.0000288700000000, 0.0008505700000000 ] - [ 0.0000000000000000, 0.0004392000000000, 0.0012823100000000 ] - [ -0.0000255100000000, 0.0000147300000000, -0.0006736400000000 ] - [ 0.0000000000000000, 0.0000464300000000, -0.0006516500000000 ] - [ 0.0000255100000000, 0.0000147300000000, -0.0006736400000000 ] - [ 0.0000000000000000, -0.0000294600000000, -0.0006736400000000 ] - [ 0.0000113000000000, 0.0000065200000000, -0.0006825100000000 ] - [ -0.0000113000000000, 0.0000065200000000, -0.0006825100000000 ] - [ -0.0000402100000000, -0.0000232100000000, -0.0006516500000000 ] - [ 0.0000402100000000, -0.0000232100000000, -0.0006516500000000 ] - [ 0.0000000000000000, -0.0000130400000000, -0.0006825100000000 ] - [ 0.0000741100000000, -0.0000427900000000, -0.0006672000000000 ] - [ 0.0000000000000000, -0.0000000400000000, -0.0005379100000000 ] - [ -0.0000741100000000, -0.0000427900000000, -0.0006672000000000 ] - [ 0.0000000000000000, 0.0000855700000000, -0.0006672000000000 ] - [ 0.0002996400000000, 0.0001730000000000, -0.0007325100000000 ] - [ -0.0002996400000000, 0.0001730000000000, -0.0007325100000000 ] - [ 0.0000000300000000, 0.0000000200000000, -0.0005379100000000 ] - [ -0.0000000300000000, 0.0000000200000000, -0.0005379100000000 ] - [ 0.0000000000000000, -0.0003460000000000, -0.0007325100000000 ] - [ -0.0000364000000000, 0.0000210200000000, -0.0005285800000000 ] - [ 0.0000000000000000, 0.0000583600000000, -0.0005167100000000 ] - [ 0.0000364000000000, 0.0000210200000000, -0.0005285800000000 ] - [ 0.0000000000000000, -0.0000420300000000, -0.0005285800000000 ] - [ 0.0000157900000000, 0.0000091100000000, -0.0005312800000000 ] - [ -0.0000157900000000, 0.0000091100000000, -0.0005312800000000 ] - [ -0.0000505400000000, -0.0000291800000000, -0.0005167100000000 ] - [ 0.0000505400000000, -0.0000291800000000, -0.0005167100000000 ] - [ 0.0000000000000000, -0.0000182300000000, -0.0005312800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003620700000000 ] - [ -0.0000029100000000, -0.0000038500000000, -0.0003651300000000 ] - [ 0.0000029100000000, -0.0000038500000000, -0.0003651300000000 ] - [ 0.0000047900000000, -0.0000005900000000, -0.0003651300000000 ] - [ -0.0000047900000000, -0.0000005900000000, -0.0003651300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003656000000000 ] - [ 0.0000018800000000, 0.0000044500000000, -0.0003651300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003626800000000 ] - [ -0.0000018800000000, 0.0000044500000000, -0.0003651300000000 ] - [ 0.0000000000000000, -0.0042530200000000, 0.0048428000000000 ] - [ -0.0000915300000000, 0.0000528500000000, 0.0003132600000000 ] - [ 0.0000915300000000, 0.0000528500000000, 0.0003132600000000 ] - [ -0.0036832300000000, 0.0021265100000000, 0.0048428000000000 ] - [ 0.0036832300000000, 0.0021265100000000, 0.0048428000000000 ] - [ 0.0000000000000000, -0.0001474700000000, 0.0003024200000000 ] - [ 0.0001277200000000, 0.0000737400000000, 0.0003024200000000 ] - [ 0.0000000000000000, -0.0001056900000000, 0.0003132600000000 ] - [ -0.0001277200000000, 0.0000737400000000, 0.0003024200000000 ] - [ -0.0000011800000000, 0.0000006800000000, 0.0011844600000000 ] - [ 0.0000000000000000, -0.0000294100000000, 0.0011900000000000 ] - [ 0.0000011800000000, 0.0000006800000000, 0.0011844600000000 ] - [ 0.0000000000000000, -0.0000013600000000, 0.0011844600000000 ] - [ 0.0000105000000000, 0.0000060600000000, 0.0011517100000000 ] - [ -0.0000105000000000, 0.0000060600000000, 0.0011517100000000 ] - [ 0.0000254700000000, 0.0000147100000000, 0.0011900000000000 ] - [ -0.0000254700000000, 0.0000147100000000, 0.0011900000000000 ] - [ 0.0000000000000000, -0.0000121200000000, 0.0011517100000000 ] - [ 0.0000000000000000, -0.0000062800000000, 0.0006758400000000 ] - [ 0.0000050900000000, -0.0000029400000000, 0.0006748400000000 ] - [ -0.0000050900000000, -0.0000029400000000, 0.0006748400000000 ] - [ -0.0000054400000000, 0.0000031400000000, 0.0006758400000000 ] - [ 0.0000054400000000, 0.0000031400000000, 0.0006758400000000 ] - [ 0.0000000000000000, 0.0000003100000000, 0.0006742500000000 ] - [ -0.0000002700000000, -0.0000001500000000, 0.0006742500000000 ] - [ 0.0000000000000000, 0.0000058800000000, 0.0006748400000000 ] - [ 0.0000002700000000, -0.0000001500000000, 0.0006742500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004343200000000 ] - [ 0.0000280800000000, -0.0000326900000000, -0.0003762900000000 ] - [ -0.0000280800000000, -0.0000326900000000, -0.0003762900000000 ] - [ 0.0000142700000000, 0.0000406600000000, -0.0003762900000000 ] - [ -0.0000142700000000, 0.0000406600000000, -0.0003762900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004724100000000 ] - [ 0.0000423500000000, -0.0000079700000000, -0.0003762900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005094700000000 ] - [ -0.0000423500000000, -0.0000079700000000, -0.0003762900000000 ] - [ 0.0000000000000000, -0.0000041500000000, 0.0010544300000000 ] - [ 0.0000020400000000, -0.0000011800000000, 0.0010585800000000 ] - [ -0.0000020400000000, -0.0000011800000000, 0.0010585800000000 ] - [ -0.0000035900000000, 0.0000020700000000, 0.0010544300000000 ] - [ 0.0000035900000000, 0.0000020700000000, 0.0010544300000000 ] - [ 0.0000000000000000, -0.0000026300000000, 0.0010507900000000 ] - [ 0.0000022800000000, 0.0000013200000000, 0.0010507900000000 ] - [ 0.0000000000000000, 0.0000023600000000, 0.0010585800000000 ] - [ -0.0000022800000000, 0.0000013200000000, 0.0010507900000000 ] - [ 0.0000000000000000, 0.0007929300000000, 0.0020120100000000 ] - [ -0.0000105000000000, 0.0000060600000000, 0.0012237400000000 ] - [ 0.0000105000000000, 0.0000060600000000, 0.0012237400000000 ] - [ 0.0006867000000000, -0.0003964700000000, 0.0020120100000000 ] - [ -0.0006867000000000, -0.0003964700000000, 0.0020120100000000 ] - [ 0.0000000000000000, 0.0000417600000000, 0.0011611200000000 ] - [ -0.0000361600000000, -0.0000208800000000, 0.0011611200000000 ] - [ 0.0000000000000000, -0.0000121200000000, 0.0012237400000000 ] - [ 0.0000361600000000, -0.0000208800000000, 0.0011611200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005389400000000 ] - [ -0.0000028900000000, -0.0000044500000000, -0.0005362200000000 ] - [ 0.0000028900000000, -0.0000044500000000, -0.0005362200000000 ] - [ 0.0000053000000000, -0.0000002800000000, -0.0005362200000000 ] - [ -0.0000053000000000, -0.0000002800000000, -0.0005362200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005311900000000 ] - [ 0.0000024100000000, 0.0000047300000000, -0.0005362200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005333800000000 ] - [ -0.0000024100000000, 0.0000047300000000, -0.0005362200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008910900000000 ] - [ -0.0000576500000000, 0.0000994800000000, -0.0008375100000000 ] - [ 0.0000576500000000, 0.0000994800000000, -0.0008375100000000 ] - [ -0.0000573300000000, -0.0000996600000000, -0.0008375100000000 ] - [ 0.0000573300000000, -0.0000996600000000, -0.0008375100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009663500000000 ] - [ -0.0001149700000000, 0.0000001800000000, -0.0008375100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009300600000000 ] - [ 0.0001149700000000, 0.0000001800000000, -0.0008375100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0371643700000000 ] - [ 0.0002223300000000, 0.0000358300000000, -0.0011749700000000 ] - [ -0.0002223300000000, 0.0000358300000000, -0.0011749700000000 ] - [ -0.0001422000000000, 0.0001746300000000, -0.0011749700000000 ] - [ 0.0001422000000000, 0.0001746300000000, -0.0011749700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004437100000000 ] - [ 0.0000801300000000, -0.0002104600000000, -0.0011749700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004415000000000 ] - [ -0.0000801300000000, -0.0002104600000000, -0.0011749700000000 ]- atom: 127 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, -0.0000944200000000, -0.0003930300000000 ] - [ 0.0000983700000000, -0.0000568000000000, -0.0004253400000000 ] - [ -0.0000983700000000, -0.0000568000000000, -0.0004253400000000 ] - [ -0.0000817700000000, 0.0000472100000000, -0.0003930300000000 ] - [ 0.0000817700000000, 0.0000472100000000, -0.0003930300000000 ] - [ 0.0000000000000000, 0.0000765500000000, -0.0004083100000000 ] - [ -0.0000662900000000, -0.0000382700000000, -0.0004083100000000 ] - [ 0.0000000000000000, 0.0001135900000000, -0.0004253400000000 ] - [ 0.0000662900000000, -0.0000382700000000, -0.0004083100000000 ] - [ -0.0079306300000000, 0.0045787500000000, -0.0078476000000000 ] - [ 0.0000000000000000, 0.0001042800000000, -0.0004985300000000 ] - [ 0.0079306300000000, 0.0045787500000000, -0.0078476000000000 ] - [ 0.0000000000000000, -0.0091575000000000, -0.0078476000000000 ] - [ 0.0003987500000000, 0.0002302200000000, -0.0009226800000000 ] - [ -0.0003987500000000, 0.0002302200000000, -0.0009226800000000 ] - [ -0.0000903100000000, -0.0000521400000000, -0.0004985300000000 ] - [ 0.0000903100000000, -0.0000521400000000, -0.0004985300000000 ] - [ 0.0000000000000000, -0.0004604400000000, -0.0009226800000000 ] - [ -0.0000213900000000, 0.0000123500000000, -0.0004493500000000 ] - [ 0.0000000000000000, 0.0000338900000000, -0.0004246500000000 ] - [ 0.0000213900000000, 0.0000123500000000, -0.0004493500000000 ] - [ 0.0000000000000000, -0.0000247000000000, -0.0004493500000000 ] - [ 0.0000113300000000, 0.0000065400000000, -0.0004610700000000 ] - [ -0.0000113300000000, 0.0000065400000000, -0.0004610700000000 ] - [ -0.0000293500000000, -0.0000169400000000, -0.0004246500000000 ] - [ 0.0000293500000000, -0.0000169400000000, -0.0004246500000000 ] - [ 0.0000000000000000, -0.0000130800000000, -0.0004610700000000 ] - [ -0.0001045300000000, 0.0000603500000000, -0.0004462400000000 ] - [ 0.0000000000000000, 0.0000497800000000, -0.0005696400000000 ] - [ 0.0001045300000000, 0.0000603500000000, -0.0004462400000000 ] - [ 0.0000000000000000, -0.0001207000000000, -0.0004462400000000 ] - [ -0.0002931100000000, -0.0001692200000000, -0.0004037100000000 ] - [ 0.0002931100000000, -0.0001692200000000, -0.0004037100000000 ] - [ -0.0000431100000000, -0.0000248900000000, -0.0005696400000000 ] - [ 0.0000431100000000, -0.0000248900000000, -0.0005696400000000 ] - [ 0.0000000000000000, 0.0003384500000000, -0.0004037100000000 ] - [ -0.0000330900000000, 0.0000191000000000, -0.0003045600000000 ] - [ 0.0000000000000000, 0.0000624300000000, -0.0002911400000000 ] - [ 0.0000330900000000, 0.0000191000000000, -0.0003045600000000 ] - [ 0.0000000000000000, -0.0000382000000000, -0.0003045600000000 ] - [ 0.0000193900000000, 0.0000112000000000, -0.0003091800000000 ] - [ -0.0000193900000000, 0.0000112000000000, -0.0003091800000000 ] - [ -0.0000540600000000, -0.0000312100000000, -0.0002911400000000 ] - [ 0.0000540600000000, -0.0000312100000000, -0.0002911400000000 ] - [ 0.0000000000000000, -0.0000223900000000, -0.0003091800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004791100000000 ] - [ -0.0000038700000000, -0.0000054200000000, -0.0004753100000000 ] - [ 0.0000038700000000, -0.0000054200000000, -0.0004753100000000 ] - [ 0.0000066300000000, -0.0000006400000000, -0.0004753100000000 ] - [ -0.0000066300000000, -0.0000006400000000, -0.0004753100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004728500000000 ] - [ 0.0000027600000000, 0.0000060600000000, -0.0004753100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004788900000000 ] - [ -0.0000027600000000, 0.0000060600000000, -0.0004753100000000 ] - [ 0.0000000000000000, 0.0041911800000000, -0.0034988100000000 ] - [ 0.0000911500000000, -0.0000526300000000, 0.0009702200000000 ] - [ -0.0000911500000000, -0.0000526300000000, 0.0009702200000000 ] - [ 0.0036296600000000, -0.0020955900000000, -0.0034988100000000 ] - [ -0.0036296600000000, -0.0020955900000000, -0.0034988100000000 ] - [ 0.0000000000000000, 0.0001476000000000, 0.0009814000000000 ] - [ -0.0001278300000000, -0.0000738000000000, 0.0009814000000000 ] - [ 0.0000000000000000, 0.0001052500000000, 0.0009702200000000 ] - [ 0.0001278300000000, -0.0000738000000000, 0.0009814000000000 ] - [ -0.0000045700000000, 0.0000026400000000, 0.0010547100000000 ] - [ 0.0000000000000000, 0.0000403100000000, 0.0010444100000000 ] - [ 0.0000045700000000, 0.0000026400000000, 0.0010547100000000 ] - [ 0.0000000000000000, -0.0000052800000000, 0.0010547100000000 ] - [ -0.0000066100000000, -0.0000038100000000, 0.0010901000000000 ] - [ 0.0000066100000000, -0.0000038100000000, 0.0010901000000000 ] - [ -0.0000349100000000, -0.0000201600000000, 0.0010444100000000 ] - [ 0.0000349100000000, -0.0000201600000000, 0.0010444100000000 ] - [ 0.0000000000000000, 0.0000076300000000, 0.0010901000000000 ] - [ 0.0000000000000000, -0.0000057800000000, 0.0005612300000000 ] - [ 0.0000061500000000, -0.0000035500000000, 0.0005604500000000 ] - [ -0.0000061500000000, -0.0000035500000000, 0.0005604500000000 ] - [ -0.0000050100000000, 0.0000028900000000, 0.0005612300000000 ] - [ 0.0000050100000000, 0.0000028900000000, 0.0005612300000000 ] - [ 0.0000000000000000, -0.0000009000000000, 0.0005608400000000 ] - [ 0.0000007800000000, 0.0000004500000000, 0.0005608400000000 ] - [ 0.0000000000000000, 0.0000071100000000, 0.0005604500000000 ] - [ -0.0000007800000000, 0.0000004500000000, 0.0005608400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004992200000000 ] - [ -0.0000334900000000, 0.0000250800000000, -0.0005621600000000 ] - [ 0.0000334900000000, 0.0000250800000000, -0.0005621600000000 ] - [ -0.0000049700000000, -0.0000415400000000, -0.0005621600000000 ] - [ 0.0000049700000000, -0.0000415400000000, -0.0005621600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004743000000000 ] - [ -0.0000384600000000, 0.0000164600000000, -0.0005621600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004268900000000 ] - [ 0.0000384600000000, 0.0000164600000000, -0.0005621600000000 ] - [ 0.0000000000000000, -0.0000051000000000, 0.0009446800000000 ] - [ 0.0000061700000000, -0.0000035600000000, 0.0009316500000000 ] - [ -0.0000061700000000, -0.0000035600000000, 0.0009316500000000 ] - [ -0.0000044200000000, 0.0000025500000000, 0.0009446800000000 ] - [ 0.0000044200000000, 0.0000025500000000, 0.0009446800000000 ] - [ 0.0000000000000000, 0.0000025100000000, 0.0009392400000000 ] - [ -0.0000021800000000, -0.0000012600000000, 0.0009392400000000 ] - [ 0.0000000000000000, 0.0000071300000000, 0.0009316500000000 ] - [ 0.0000021800000000, -0.0000012600000000, 0.0009392400000000 ] - [ 0.0000000000000000, -0.0008231100000000, 0.0004336900000000 ] - [ 0.0000146600000000, -0.0000084600000000, 0.0012422500000000 ] - [ -0.0000146600000000, -0.0000084600000000, 0.0012422500000000 ] - [ -0.0007128300000000, 0.0004115600000000, 0.0004336900000000 ] - [ 0.0007128300000000, 0.0004115600000000, 0.0004336900000000 ] - [ 0.0000000000000000, -0.0000431300000000, 0.0013061400000000 ] - [ 0.0000373500000000, 0.0000215600000000, 0.0013061400000000 ] - [ 0.0000000000000000, 0.0000169300000000, 0.0012422500000000 ] - [ -0.0000373500000000, 0.0000215600000000, 0.0013061400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006494000000000 ] - [ -0.0000021100000000, -0.0000030200000000, -0.0006464600000000 ] - [ 0.0000021100000000, -0.0000030200000000, -0.0006464600000000 ] - [ 0.0000036700000000, -0.0000003200000000, -0.0006464600000000 ] - [ -0.0000036700000000, -0.0000003200000000, -0.0006464600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006432800000000 ] - [ 0.0000015600000000, 0.0000033400000000, -0.0006464600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006519700000000 ] - [ -0.0000015600000000, 0.0000033400000000, -0.0006464600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009685500000000 ] - [ 0.0000578900000000, -0.0001056800000000, -0.0010187600000000 ] - [ -0.0000578900000000, -0.0001056800000000, -0.0010187600000000 ] - [ 0.0000625800000000, 0.0001029800000000, -0.0010187600000000 ] - [ -0.0000625800000000, 0.0001029800000000, -0.0010187600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008783400000000 ] - [ 0.0001204700000000, 0.0000027000000000, -0.0010187600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009260400000000 ] - [ -0.0001204700000000, 0.0000027000000000, -0.0010187600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0360843700000000 ] - [ -0.0002407300000000, -0.0000412800000000, 0.0005316300000000 ] - [ 0.0002407300000000, -0.0000412800000000, 0.0005316300000000 ] - [ 0.0001561100000000, -0.0001878400000000, 0.0005316300000000 ] - [ -0.0001561100000000, -0.0001878400000000, 0.0005316300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002063600000000 ] - [ -0.0000846200000000, 0.0002291200000000, 0.0005316300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002042800000000 ] - [ 0.0000846200000000, 0.0002291200000000, 0.0005316300000000 ]