# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6142ac9f-cceb-4f4b-9a4c-ccdd0c0eb456/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 KSmF4 / Pnma (62) / materials id 17697](https://mdr.nims.go.jp/datasets/9a26238d-3380-4d3a-82bf-f49b7c3583dc) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 3, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.152848480000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.659612979999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.535084489999999 ] # c points: - symbol: F # 1 coordinates: [ 0.405769520000000, 0.250000000000000, 0.810101180000000 ] mass: 18.998403 - symbol: F # 2 coordinates: [ 0.594230480000000, 0.750000000000000, 0.189898820000000 ] mass: 18.998403 - symbol: F # 3 coordinates: [ 0.905769520000000, 0.250000000000000, 0.689898820000000 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.094230480000000, 0.750000000000000, 0.310101180000000 ] mass: 18.998403 - symbol: F # 5 coordinates: [ 0.104821540000000, 0.750000000000000, 0.868438130000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.895178460000000, 0.250000000000000, 0.131561870000000 ] mass: 18.998403 - symbol: F # 7 coordinates: [ 0.604821540000000, 0.750000000000000, 0.631561870000000 ] mass: 18.998403 - symbol: F # 8 coordinates: [ 0.395178460000000, 0.250000000000000, 0.368438130000000 ] mass: 18.998403 - symbol: F # 9 coordinates: [ 0.134838900000000, 0.750000000000000, 0.036282090000000 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.865161100000000, 0.250000000000000, 0.963717910000000 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.634838900000000, 0.750000000000000, 0.463717910000000 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.365161100000000, 0.250000000000000, 0.536282090000000 ] mass: 18.998403 - symbol: F # 13 coordinates: [ 0.996318400000000, 0.250000000000000, 0.442785140000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.003681600000000, 0.750000000000000, 0.557214860000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.496318400000000, 0.250000000000000, 0.057214860000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.503681600000000, 0.750000000000000, 0.942785140000000 ] mass: 18.998403 - symbol: K # 17 coordinates: [ 0.221642060000000, 0.750000000000000, 0.702501180000000 ] mass: 39.098300 - symbol: K # 18 coordinates: [ 0.778357940000000, 0.250000000000000, 0.297498820000000 ] mass: 39.098300 - symbol: K # 19 coordinates: [ 0.721642060000000, 0.750000000000000, 0.797498820000000 ] mass: 39.098300 - symbol: K # 20 coordinates: [ 0.278357940000000, 0.250000000000000, 0.202501180000000 ] mass: 39.098300 - symbol: Sm # 21 coordinates: [ 0.248227240000000, 0.250000000000000, 0.941126740000000 ] mass: 150.360000 - symbol: Sm # 22 coordinates: [ 0.751772760000000, 0.750000000000000, 0.058873260000000 ] mass: 150.360000 - symbol: Sm # 23 coordinates: [ 0.748227240000000, 0.250000000000000, 0.558873260000000 ] mass: 150.360000 - symbol: Sm # 24 coordinates: [ 0.251772760000000, 0.750000000000000, 0.441126740000000 ] mass: 150.360000 reciprocal_lattice: # without 2pi - [ 0.162526349096768, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.273252938347595, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.064370425577261 ] # c*unit_cell: lattice: - [ 6.152848480000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 3.659612980000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.535084489999999 ] # c points: - symbol: F # 1 coordinates: [ 0.405769520000000, 0.250000000000000, 0.810101180000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.594230480000000, 0.750000000000000, 0.189898820000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.905769520000000, 0.250000000000000, 0.689898820000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.094230480000000, 0.750000000000000, 0.310101180000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.104821540000000, 0.750000000000000, 0.868438130000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.895178460000000, 0.250000000000000, 0.131561870000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 7 coordinates: [ 0.604821540000000, 0.750000000000000, 0.631561870000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.395178460000000, 0.250000000000000, 0.368438130000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 9 coordinates: [ 0.134838900000000, 0.750000000000000, 0.036282090000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.865161100000000, 0.250000000000000, 0.963717910000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 11 coordinates: [ 0.634838900000000, 0.750000000000000, 0.463717910000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.365161100000000, 0.250000000000000, 0.536282090000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.996318400000000, 0.250000000000000, 0.442785140000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.003681600000000, 0.750000000000000, 0.557214860000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 15 coordinates: [ 0.496318400000000, 0.250000000000000, 0.057214860000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.503681600000000, 0.750000000000000, 0.942785140000000 ] mass: 18.998403 reduced_to: 16 - symbol: K # 17 coordinates: [ 0.221642060000000, 0.750000000000000, 0.702501180000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 18 coordinates: [ 0.778357940000000, 0.250000000000000, 0.297498820000000 ] mass: 39.098300 reduced_to: 18 - symbol: K # 19 coordinates: [ 0.721642060000000, 0.750000000000000, 0.797498820000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 20 coordinates: [ 0.278357940000000, 0.250000000000000, 0.202501180000000 ] mass: 39.098300 reduced_to: 20 - symbol: Sm # 21 coordinates: [ 0.248227240000000, 0.250000000000000, 0.941126740000000 ] mass: 150.360000 reduced_to: 21 - symbol: Sm # 22 coordinates: [ 0.751772760000000, 0.750000000000000, 0.058873260000000 ] mass: 150.360000 reduced_to: 22 - symbol: Sm # 23 coordinates: [ 0.748227240000000, 0.250000000000000, 0.558873260000000 ] mass: 150.360000 reduced_to: 23 - symbol: Sm # 24 coordinates: [ 0.251772760000000, 0.750000000000000, 0.441126740000000 ] mass: 150.360000 reduced_to: 24supercell: lattice: - [ 12.305696960000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.978838939999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.535084489999999 ] # c points: - symbol: F # 1 coordinates: [ 0.202884760000000, 0.083333333333333, 0.810101180000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.702884760000000, 0.083333333333333, 0.810101180000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 3 coordinates: [ 0.202884760000000, 0.416666666666667, 0.810101180000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 4 coordinates: [ 0.702884760000000, 0.416666666666667, 0.810101180000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 5 coordinates: [ 0.202884760000000, 0.750000000000000, 0.810101180000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 6 coordinates: [ 0.702884760000000, 0.750000000000000, 0.810101180000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 7 coordinates: [ 0.297115240000000, 0.250000000000000, 0.189898820000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.797115240000000, 0.250000000000000, 0.189898820000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 9 coordinates: [ 0.297115240000000, 0.583333333333333, 0.189898820000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 10 coordinates: [ 0.797115240000000, 0.583333333333333, 0.189898820000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 11 coordinates: [ 0.297115240000000, 0.916666666666667, 0.189898820000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 12 coordinates: [ 0.797115240000000, 0.916666666666667, 0.189898820000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 13 coordinates: [ 0.452884760000000, 0.083333333333333, 0.689898820000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.952884760000000, 0.083333333333333, 0.689898820000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 15 coordinates: [ 0.452884760000000, 0.416666666666667, 0.689898820000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 16 coordinates: [ 0.952884760000000, 0.416666666666667, 0.689898820000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 17 coordinates: [ 0.452884760000000, 0.750000000000000, 0.689898820000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 18 coordinates: [ 0.952884760000000, 0.750000000000000, 0.689898820000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 19 coordinates: [ 0.047115240000000, 0.250000000000000, 0.310101180000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 20 coordinates: [ 0.547115240000000, 0.250000000000000, 0.310101180000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 21 coordinates: [ 0.047115240000000, 0.583333333333333, 0.310101180000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 22 coordinates: [ 0.547115240000000, 0.583333333333333, 0.310101180000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 23 coordinates: [ 0.047115240000000, 0.916666666666667, 0.310101180000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 24 coordinates: [ 0.547115240000000, 0.916666666666667, 0.310101180000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 25 coordinates: [ 0.052410770000000, 0.250000000000000, 0.868438130000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.552410770000000, 0.250000000000000, 0.868438130000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 27 coordinates: [ 0.052410770000000, 0.583333333333333, 0.868438130000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 28 coordinates: [ 0.552410770000000, 0.583333333333333, 0.868438130000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 29 coordinates: [ 0.052410770000000, 0.916666666666667, 0.868438130000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 30 coordinates: [ 0.552410770000000, 0.916666666666667, 0.868438130000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 31 coordinates: [ 0.447589230000000, 0.083333333333333, 0.131561870000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 32 coordinates: [ 0.947589230000000, 0.083333333333333, 0.131561870000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 33 coordinates: [ 0.447589230000000, 0.416666666666667, 0.131561870000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 34 coordinates: [ 0.947589230000000, 0.416666666666667, 0.131561870000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 35 coordinates: [ 0.447589230000000, 0.750000000000000, 0.131561870000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 36 coordinates: [ 0.947589230000000, 0.750000000000000, 0.131561870000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 37 coordinates: [ 0.302410770000000, 0.250000000000000, 0.631561870000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 38 coordinates: [ 0.802410770000000, 0.250000000000000, 0.631561870000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 39 coordinates: [ 0.302410770000000, 0.583333333333333, 0.631561870000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 40 coordinates: [ 0.802410770000000, 0.583333333333333, 0.631561870000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 41 coordinates: [ 0.302410770000000, 0.916666666666667, 0.631561870000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 42 coordinates: [ 0.802410770000000, 0.916666666666667, 0.631561870000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 43 coordinates: [ 0.197589230000000, 0.083333333333333, 0.368438130000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 44 coordinates: [ 0.697589230000000, 0.083333333333333, 0.368438130000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 45 coordinates: [ 0.197589230000000, 0.416666666666667, 0.368438130000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 46 coordinates: [ 0.697589230000000, 0.416666666666667, 0.368438130000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 47 coordinates: [ 0.197589230000000, 0.750000000000000, 0.368438130000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 48 coordinates: [ 0.697589230000000, 0.750000000000000, 0.368438130000000 ] mass: 18.998403 reduced_to: 43 - symbol: F # 49 coordinates: [ 0.067419450000000, 0.250000000000000, 0.036282090000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 50 coordinates: [ 0.567419450000000, 0.250000000000000, 0.036282090000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 51 coordinates: [ 0.067419450000000, 0.583333333333333, 0.036282090000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 52 coordinates: [ 0.567419450000000, 0.583333333333333, 0.036282090000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 53 coordinates: [ 0.067419450000000, 0.916666666666667, 0.036282090000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 54 coordinates: [ 0.567419450000000, 0.916666666666667, 0.036282090000000 ] mass: 18.998403 reduced_to: 49 - symbol: F # 55 coordinates: [ 0.432580550000000, 0.083333333333333, 0.963717910000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 56 coordinates: [ 0.932580550000000, 0.083333333333333, 0.963717910000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 57 coordinates: [ 0.432580550000000, 0.416666666666667, 0.963717910000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 58 coordinates: [ 0.932580550000000, 0.416666666666667, 0.963717910000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 59 coordinates: [ 0.432580550000000, 0.750000000000000, 0.963717910000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 60 coordinates: [ 0.932580550000000, 0.750000000000000, 0.963717910000000 ] mass: 18.998403 reduced_to: 55 - symbol: F # 61 coordinates: [ 0.317419450000000, 0.250000000000000, 0.463717910000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 62 coordinates: [ 0.817419450000000, 0.250000000000000, 0.463717910000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 63 coordinates: [ 0.317419450000000, 0.583333333333333, 0.463717910000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 64 coordinates: [ 0.817419450000000, 0.583333333333333, 0.463717910000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 65 coordinates: [ 0.317419450000000, 0.916666666666667, 0.463717910000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 66 coordinates: [ 0.817419450000000, 0.916666666666667, 0.463717910000000 ] mass: 18.998403 reduced_to: 61 - symbol: F # 67 coordinates: [ 0.182580550000000, 0.083333333333333, 0.536282090000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 68 coordinates: [ 0.682580550000000, 0.083333333333333, 0.536282090000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 69 coordinates: [ 0.182580550000000, 0.416666666666667, 0.536282090000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 70 coordinates: [ 0.682580550000000, 0.416666666666667, 0.536282090000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 71 coordinates: [ 0.182580550000000, 0.750000000000000, 0.536282090000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 72 coordinates: [ 0.682580550000000, 0.750000000000000, 0.536282090000000 ] mass: 18.998403 reduced_to: 67 - symbol: F # 73 coordinates: [ 0.498159200000000, 0.083333333333333, 0.442785140000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 74 coordinates: [ 0.998159200000000, 0.083333333333333, 0.442785140000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 75 coordinates: [ 0.498159200000000, 0.416666666666667, 0.442785140000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 76 coordinates: [ 0.998159200000000, 0.416666666666667, 0.442785140000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 77 coordinates: [ 0.498159200000000, 0.750000000000000, 0.442785140000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 78 coordinates: [ 0.998159200000000, 0.750000000000000, 0.442785140000000 ] mass: 18.998403 reduced_to: 73 - symbol: F # 79 coordinates: [ 0.001840800000000, 0.250000000000000, 0.557214860000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 80 coordinates: [ 0.501840800000000, 0.250000000000000, 0.557214860000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 81 coordinates: [ 0.001840800000000, 0.583333333333333, 0.557214860000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 82 coordinates: [ 0.501840800000000, 0.583333333333333, 0.557214860000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 83 coordinates: [ 0.001840800000000, 0.916666666666667, 0.557214860000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 84 coordinates: [ 0.501840800000000, 0.916666666666667, 0.557214860000000 ] mass: 18.998403 reduced_to: 79 - symbol: F # 85 coordinates: [ 0.248159200000000, 0.083333333333333, 0.057214860000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 86 coordinates: [ 0.748159200000000, 0.083333333333333, 0.057214860000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 87 coordinates: [ 0.248159200000000, 0.416666666666667, 0.057214860000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 88 coordinates: [ 0.748159200000000, 0.416666666666667, 0.057214860000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 89 coordinates: [ 0.248159200000000, 0.750000000000000, 0.057214860000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 90 coordinates: [ 0.748159200000000, 0.750000000000000, 0.057214860000000 ] mass: 18.998403 reduced_to: 85 - symbol: F # 91 coordinates: [ 0.251840800000000, 0.250000000000000, 0.942785140000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 92 coordinates: [ 0.751840800000000, 0.250000000000000, 0.942785140000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 93 coordinates: [ 0.251840800000000, 0.583333333333333, 0.942785140000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 94 coordinates: [ 0.751840800000000, 0.583333333333333, 0.942785140000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 95 coordinates: [ 0.251840800000000, 0.916666666666667, 0.942785140000000 ] mass: 18.998403 reduced_to: 91 - symbol: F # 96 coordinates: [ 0.751840800000000, 0.916666666666667, 0.942785140000000 ] mass: 18.998403 reduced_to: 91 - symbol: K # 97 coordinates: [ 0.110821030000000, 0.250000000000000, 0.702501180000000 ] mass: 39.098300 reduced_to: 97 - symbol: K # 98 coordinates: [ 0.610821030000000, 0.250000000000000, 0.702501180000000 ] mass: 39.098300 reduced_to: 97 - symbol: K # 99 coordinates: [ 0.110821030000000, 0.583333333333333, 0.702501180000000 ] mass: 39.098300 reduced_to: 97 - symbol: K # 100 coordinates: [ 0.610821030000000, 0.583333333333333, 0.702501180000000 ] mass: 39.098300 reduced_to: 97 - symbol: K # 101 coordinates: [ 0.110821030000000, 0.916666666666667, 0.702501180000000 ] mass: 39.098300 reduced_to: 97 - symbol: K # 102 coordinates: [ 0.610821030000000, 0.916666666666667, 0.702501180000000 ] mass: 39.098300 reduced_to: 97 - symbol: K # 103 coordinates: [ 0.389178970000000, 0.083333333333333, 0.297498820000000 ] mass: 39.098300 reduced_to: 103 - symbol: K # 104 coordinates: [ 0.889178970000000, 0.083333333333333, 0.297498820000000 ] mass: 39.098300 reduced_to: 103 - symbol: K # 105 coordinates: [ 0.389178970000000, 0.416666666666667, 0.297498820000000 ] mass: 39.098300 reduced_to: 103 - symbol: K # 106 coordinates: [ 0.889178970000000, 0.416666666666667, 0.297498820000000 ] mass: 39.098300 reduced_to: 103 - symbol: K # 107 coordinates: [ 0.389178970000000, 0.750000000000000, 0.297498820000000 ] mass: 39.098300 reduced_to: 103 - symbol: K # 108 coordinates: [ 0.889178970000000, 0.750000000000000, 0.297498820000000 ] mass: 39.098300 reduced_to: 103 - symbol: K # 109 coordinates: [ 0.360821030000000, 0.250000000000000, 0.797498820000000 ] mass: 39.098300 reduced_to: 109 - symbol: K # 110 coordinates: [ 0.860821030000000, 0.250000000000000, 0.797498820000000 ] mass: 39.098300 reduced_to: 109 - symbol: K # 111 coordinates: [ 0.360821030000000, 0.583333333333333, 0.797498820000000 ] mass: 39.098300 reduced_to: 109 - symbol: K # 112 coordinates: [ 0.860821030000000, 0.583333333333333, 0.797498820000000 ] mass: 39.098300 reduced_to: 109 - symbol: K # 113 coordinates: [ 0.360821030000000, 0.916666666666667, 0.797498820000000 ] mass: 39.098300 reduced_to: 109 - symbol: K # 114 coordinates: [ 0.860821030000000, 0.916666666666667, 0.797498820000000 ] mass: 39.098300 reduced_to: 109 - symbol: K # 115 coordinates: [ 0.139178970000000, 0.083333333333333, 0.202501180000000 ] mass: 39.098300 reduced_to: 115 - symbol: K # 116 coordinates: [ 0.639178970000000, 0.083333333333333, 0.202501180000000 ] mass: 39.098300 reduced_to: 115 - symbol: K # 117 coordinates: [ 0.139178970000000, 0.416666666666667, 0.202501180000000 ] mass: 39.098300 reduced_to: 115 - symbol: K # 118 coordinates: [ 0.639178970000000, 0.416666666666667, 0.202501180000000 ] mass: 39.098300 reduced_to: 115 - symbol: K # 119 coordinates: [ 0.139178970000000, 0.750000000000000, 0.202501180000000 ] mass: 39.098300 reduced_to: 115 - symbol: K # 120 coordinates: [ 0.639178970000000, 0.750000000000000, 0.202501180000000 ] mass: 39.098300 reduced_to: 115 - symbol: Sm # 121 coordinates: [ 0.124113620000000, 0.083333333333333, 0.941126740000000 ] mass: 150.360000 reduced_to: 121 - symbol: Sm # 122 coordinates: [ 0.624113620000000, 0.083333333333333, 0.941126740000000 ] mass: 150.360000 reduced_to: 121 - symbol: Sm # 123 coordinates: [ 0.124113620000000, 0.416666666666667, 0.941126740000000 ] mass: 150.360000 reduced_to: 121 - symbol: Sm # 124 coordinates: [ 0.624113620000000, 0.416666666666667, 0.941126740000000 ] mass: 150.360000 reduced_to: 121 - symbol: Sm # 125 coordinates: [ 0.124113620000000, 0.750000000000000, 0.941126740000000 ] mass: 150.360000 reduced_to: 121 - symbol: Sm # 126 coordinates: [ 0.624113620000000, 0.750000000000000, 0.941126740000000 ] mass: 150.360000 reduced_to: 121 - symbol: Sm # 127 coordinates: [ 0.375886380000000, 0.250000000000000, 0.058873260000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 128 coordinates: [ 0.875886380000000, 0.250000000000000, 0.058873260000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 129 coordinates: [ 0.375886380000000, 0.583333333333333, 0.058873260000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 130 coordinates: [ 0.875886380000000, 0.583333333333333, 0.058873260000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 131 coordinates: [ 0.375886380000000, 0.916666666666667, 0.058873260000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 132 coordinates: [ 0.875886380000000, 0.916666666666667, 0.058873260000000 ] mass: 150.360000 reduced_to: 127 - symbol: Sm # 133 coordinates: [ 0.374113620000000, 0.083333333333333, 0.558873260000000 ] mass: 150.360000 reduced_to: 133 - symbol: Sm # 134 coordinates: [ 0.874113620000000, 0.083333333333333, 0.558873260000000 ] mass: 150.360000 reduced_to: 133 - symbol: Sm # 135 coordinates: [ 0.374113620000000, 0.416666666666667, 0.558873260000000 ] mass: 150.360000 reduced_to: 133 - symbol: Sm # 136 coordinates: [ 0.874113620000000, 0.416666666666667, 0.558873260000000 ] mass: 150.360000 reduced_to: 133 - symbol: Sm # 137 coordinates: [ 0.374113620000000, 0.750000000000000, 0.558873260000000 ] mass: 150.360000 reduced_to: 133 - symbol: Sm # 138 coordinates: [ 0.874113620000000, 0.750000000000000, 0.558873260000000 ] mass: 150.360000 reduced_to: 133 - symbol: Sm # 139 coordinates: [ 0.125886380000000, 0.250000000000000, 0.441126740000000 ] mass: 150.360000 reduced_to: 139 - symbol: Sm # 140 coordinates: [ 0.625886380000000, 0.250000000000000, 0.441126740000000 ] mass: 150.360000 reduced_to: 139 - symbol: Sm # 141 coordinates: [ 0.125886380000000, 0.583333333333333, 0.441126740000000 ] mass: 150.360000 reduced_to: 139 - symbol: Sm # 142 coordinates: [ 0.625886380000000, 0.583333333333333, 0.441126740000000 ] mass: 150.360000 reduced_to: 139 - symbol: Sm # 143 coordinates: [ 0.125886380000000, 0.916666666666667, 0.441126740000000 ] mass: 150.360000 reduced_to: 139 - symbol: Sm # 144 coordinates: [ 0.625886380000000, 0.916666666666667, 0.441126740000000 ] mass: 150.360000 reduced_to: 139born_effective_charge:- # 1 (F) - [ -1.027879150000000, 0.000000000000000, 0.271368160000000 ] - [ 0.000000000000000, -0.976694140000000, 0.000000000000000 ] - [ 0.289827410000000, 0.000000000000000, -1.542489460000000 ]- # 2 (F) - [ -1.027879150000000, 0.000000000000000, 0.271368160000000 ] - [ 0.000000000000000, -0.976694140000000, 0.000000000000000 ] - [ 0.289827410000000, 0.000000000000000, -1.542489460000000 ]- # 3 (F) - [ -1.027879150000000, 0.000000000000000, -0.271368160000000 ] - [ 0.000000000000000, -0.976694140000000, 0.000000000000000 ] - [ -0.289827410000000, 0.000000000000000, -1.542489460000000 ]- # 4 (F) - [ -1.027879150000000, 0.000000000000000, -0.271368160000000 ] - [ 0.000000000000000, -0.976694140000000, 0.000000000000000 ] - [ -0.289827410000000, 0.000000000000000, -1.542489460000000 ]- # 5 (F) - [ -0.988240390000000, 0.000000000000000, -0.211734800000000 ] - [ 0.000000000000000, -1.579408990000000, 0.000000000000000 ] - [ -0.208662030000000, 0.000000000000000, -1.120514130000000 ]- # 6 (F) - [ -0.988240390000000, 0.000000000000000, -0.211734800000000 ] - [ 0.000000000000000, -1.579408990000000, 0.000000000000000 ] - [ -0.208662030000000, 0.000000000000000, -1.120514130000000 ]- # 7 (F) - [ -0.988240390000000, 0.000000000000000, 0.211734800000000 ] - [ 0.000000000000000, -1.579408990000000, 0.000000000000000 ] - [ 0.208662030000000, 0.000000000000000, -1.120514130000000 ]- # 8 (F) - [ -0.988240390000000, 0.000000000000000, 0.211734800000000 ] - [ 0.000000000000000, -1.579408990000000, 0.000000000000000 ] - [ 0.208662030000000, 0.000000000000000, -1.120514130000000 ]- # 9 (F) - [ -1.401064720000000, 0.000000000000000, 0.291322840000000 ] - [ 0.000000000000000, -1.307879080000000, 0.000000000000000 ] - [ 0.282776640000000, 0.000000000000000, -0.952474130000000 ]- # 10 (F) - [ -1.401064720000000, 0.000000000000000, 0.291322840000000 ] - [ 0.000000000000000, -1.307879080000000, 0.000000000000000 ] - [ 0.282776640000000, 0.000000000000000, -0.952474130000000 ]- # 11 (F) - [ -1.401064720000000, 0.000000000000000, -0.291322840000000 ] - [ 0.000000000000000, -1.307879080000000, 0.000000000000000 ] - [ -0.282776640000000, 0.000000000000000, -0.952474130000000 ]- # 12 (F) - [ -1.401064720000000, 0.000000000000000, -0.291322840000000 ] - [ 0.000000000000000, -1.307879080000000, 0.000000000000000 ] - [ -0.282776640000000, 0.000000000000000, -0.952474130000000 ]- # 13 (F) - [ -1.409511360000000, 0.000000000000000, 0.307660350000000 ] - [ 0.000000000000000, -1.314485910000000, 0.000000000000000 ] - [ 0.285564960000000, 0.000000000000000, -0.988135470000000 ]- # 14 (F) - [ -1.409511360000000, 0.000000000000000, 0.307660350000000 ] - [ 0.000000000000000, -1.314485910000000, 0.000000000000000 ] - [ 0.285564960000000, 0.000000000000000, -0.988135470000000 ]- # 15 (F) - [ -1.409511360000000, 0.000000000000000, -0.307660350000000 ] - [ 0.000000000000000, -1.314485910000000, 0.000000000000000 ] - [ -0.285564960000000, 0.000000000000000, -0.988135470000000 ]- # 16 (F) - [ -1.409511360000000, 0.000000000000000, -0.307660350000000 ] - [ 0.000000000000000, -1.314485910000000, 0.000000000000000 ] - [ -0.285564960000000, 0.000000000000000, -0.988135470000000 ]- # 17 (K) - [ 1.225800240000000, 0.000000000000000, 0.048541060000000 ] - [ 0.000000000000000, 1.088781400000000, 0.000000000000000 ] - [ 0.086258750000000, 0.000000000000000, 1.380342540000000 ]- # 18 (K) - [ 1.225800240000000, 0.000000000000000, 0.048541060000000 ] - [ 0.000000000000000, 1.088781400000000, 0.000000000000000 ] - [ 0.086258750000000, 0.000000000000000, 1.380342540000000 ]- # 19 (K) - [ 1.225800240000000, 0.000000000000000, -0.048541060000000 ] - [ 0.000000000000000, 1.088781400000000, 0.000000000000000 ] - [ -0.086258750000000, 0.000000000000000, 1.380342540000000 ]- # 20 (K) - [ 1.225800240000000, 0.000000000000000, -0.048541060000000 ] - [ 0.000000000000000, 1.088781400000000, 0.000000000000000 ] - [ -0.086258750000000, 0.000000000000000, 1.380342540000000 ]- # 21 (Sm) - [ 3.600895380000000, 0.000000000000000, -0.090508860000000 ] - [ 0.000000000000000, 4.089686730000000, 0.000000000000000 ] - [ -0.100720890000000, 0.000000000000000, 3.223270640000000 ]- # 22 (Sm) - [ 3.600895380000001, 0.000000000000000, -0.090508860000000 ] - [ 0.000000000000000, 4.089686730000000, 0.000000000000000 ] - [ -0.100720890000000, 0.000000000000000, 3.223270640000000 ]- # 23 (Sm) - [ 3.600895380000001, 0.000000000000000, 0.090508860000000 ] - [ 0.000000000000000, 4.089686730000000, 0.000000000000000 ] - [ 0.100720890000000, 0.000000000000000, 3.223270640000000 ]- # 24 (Sm) - [ 3.600895380000001, 0.000000000000000, 0.090508860000000 ] - [ 0.000000000000000, 4.089686730000000, 0.000000000000000 ] - [ 0.100720890000000, 0.000000000000000, 3.223270640000000 ]dielectric_constant: - [ 2.422793460000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.485484070000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.383248120000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0387981900000000, 0.0000000000000000, 0.0187944400000000 ] - [ 0.0012513800000000, 0.0000000000000000, -0.0000315300000000 ] - [ -0.0013599700000000, 0.0002505300000000, 0.0006319700000000 ] - [ 0.0008703500000000, 0.0000083100000000, 0.0000499500000000 ] - [ -0.0013599700000000, -0.0002505300000000, 0.0006319700000000 ] - [ 0.0008703500000000, -0.0000083100000000, 0.0000499500000000 ] - [ -0.0006107100000000, -0.0000818600000000, 0.0000397500000000 ] - [ -0.0000371200000000, -0.0000301200000000, -0.0003620500000000 ] - [ -0.0004686100000000, 0.0000000000000000, 0.0000057500000000 ] - [ -0.0001299900000000, 0.0000000000000000, -0.0002137600000000 ] - [ -0.0006107100000000, 0.0000818600000000, 0.0000397500000000 ] - [ -0.0000371200000000, 0.0000301200000000, -0.0003620500000000 ] - [ 0.0018974200000000, 0.0000000000000000, -0.0024979100000000 ] - [ 0.0018937000000000, 0.0000000000000000, 0.0019273500000000 ] - [ 0.0006162700000000, 0.0007272900000000, -0.0009604200000000 ] - [ 0.0006185500000000, -0.0003342600000000, 0.0003897200000000 ] - [ 0.0006162700000000, -0.0007272900000000, -0.0009604200000000 ] - [ 0.0006185500000000, 0.0003342600000000, 0.0003897200000000 ] - [ -0.0004096600000000, -0.0000364700000000, -0.0001999200000000 ] - [ -0.0002721300000000, 0.0000081100000000, -0.0001070600000000 ] - [ -0.0003994700000000, 0.0000000000000000, -0.0001436800000000 ] - [ -0.0002790000000000, 0.0000000000000000, -0.0000885500000000 ] - [ -0.0004096600000000, 0.0000364700000000, -0.0001999200000000 ] - [ -0.0002721300000000, -0.0000081100000000, -0.0001070600000000 ] - [ 0.0030388700000000, -0.0078705600000000, -0.0028544600000000 ] - [ 0.0011420700000000, 0.0002475600000000, 0.0013734300000000 ] - [ -0.0003919100000000, 0.0000000000000000, 0.0006454900000000 ] - [ 0.0000191300000000, 0.0000000000000000, 0.0007079900000000 ] - [ 0.0030388700000000, 0.0078705600000000, -0.0028544600000000 ] - [ 0.0011420700000000, -0.0002475600000000, 0.0013734300000000 ] - [ 0.0000900400000000, 0.0000000000000000, -0.0002422500000000 ] - [ 0.0005065000000000, 0.0000000000000000, -0.0009243100000000 ] - [ 0.0002335700000000, 0.0000585400000000, -0.0004050000000000 ] - [ 0.0003269900000000, -0.0002300100000000, -0.0007410200000000 ] - [ 0.0002335700000000, -0.0000585400000000, -0.0004050000000000 ] - [ 0.0003269900000000, 0.0002300100000000, -0.0007410200000000 ] - [ -0.0006823000000000, 0.0008419000000000, -0.0018349600000000 ] - [ 0.0001879100000000, -0.0001898500000000, -0.0003666000000000 ] - [ -0.0005611800000000, 0.0000000000000000, -0.0005475900000000 ] - [ -0.0000042700000000, 0.0000000000000000, -0.0004797400000000 ] - [ -0.0006823000000000, -0.0008419000000000, -0.0018349600000000 ] - [ 0.0001879100000000, 0.0001898500000000, -0.0003666000000000 ] - [ 0.0001002900000000, 0.0000000000000000, 0.0003486700000000 ] - [ 0.0004322400000000, 0.0000000000000000, 0.0003689500000000 ] - [ 0.0001321200000000, -0.0000042400000000, 0.0004009200000000 ] - [ 0.0003953300000000, 0.0000071900000000, 0.0003842300000000 ] - [ 0.0001321200000000, 0.0000042400000000, 0.0004009200000000 ] - [ 0.0003953300000000, -0.0000071900000000, 0.0003842300000000 ] - [ 0.0009412700000000, -0.0020980000000000, -0.0008107900000000 ] - [ 0.0006736400000000, 0.0001622300000000, 0.0005340300000000 ] - [ 0.0004576600000000, 0.0000000000000000, 0.0000816600000000 ] - [ 0.0005380700000000, 0.0000000000000000, 0.0003963400000000 ] - [ 0.0009412700000000, 0.0020980000000000, -0.0008107900000000 ] - [ 0.0006736400000000, -0.0001622300000000, 0.0005340300000000 ] - [ 0.0003820200000000, 0.0000000000000000, 0.0016066100000000 ] - [ 0.0011983600000000, 0.0000000000000000, -0.0012646400000000 ] - [ -0.0004440500000000, 0.0002741200000000, 0.0002490000000000 ] - [ -0.0000588700000000, -0.0005667800000000, -0.0005763800000000 ] - [ -0.0004440500000000, -0.0002741200000000, 0.0002490000000000 ] - [ -0.0000588700000000, 0.0005667800000000, -0.0005763800000000 ] - [ 0.0001290600000000, 0.0001322800000000, -0.0006825300000000 ] - [ 0.0007035500000000, -0.0000856400000000, -0.0001294200000000 ] - [ 0.0001917700000000, 0.0000000000000000, -0.0004890900000000 ] - [ 0.0006238300000000, 0.0000000000000000, -0.0001874000000000 ] - [ 0.0001290600000000, -0.0001322800000000, -0.0006825300000000 ] - [ 0.0007035500000000, 0.0000856400000000, -0.0001294200000000 ] - [ -0.0012183200000000, 0.0000000000000000, 0.0000496600000000 ] - [ 0.0000298400000000, 0.0000000000000000, 0.0002080200000000 ] - [ -0.0009202000000000, 0.0000196000000000, 0.0001662200000000 ] - [ -0.0001432900000000, 0.0000087800000000, 0.0002267600000000 ] - [ -0.0009202000000000, -0.0000196000000000, 0.0001662200000000 ] - [ -0.0001432900000000, -0.0000087800000000, 0.0002267600000000 ] - [ 0.0005072900000000, 0.0000000000000000, -0.0003709600000000 ] - [ -0.0000654700000000, 0.0000000000000000, 0.0000892600000000 ] - [ 0.0003583400000000, 0.0000390300000000, -0.0002450700000000 ] - [ 0.0000337100000000, -0.0000436300000000, 0.0000296700000000 ] - [ 0.0003583400000000, -0.0000390300000000, -0.0002450700000000 ] - [ 0.0000337100000000, 0.0000436300000000, 0.0000296700000000 ] - [ -0.0001515900000000, -0.0001240900000000, 0.0004685500000000 ] - [ 0.0002153500000000, 0.0002252700000000, -0.0004801900000000 ] - [ -0.0002530100000000, 0.0000000000000000, 0.0001332800000000 ] - [ 0.0001090200000000, 0.0000000000000000, -0.0002503400000000 ] - [ -0.0001515900000000, 0.0001240900000000, 0.0004685500000000 ] - [ 0.0002153500000000, -0.0002252700000000, -0.0004801900000000 ] - [ -0.0029467300000000, 0.0000000000000000, -0.0011180500000000 ] - [ 0.0008854000000000, 0.0000000000000000, 0.0001607700000000 ] - [ -0.0004206900000000, 0.0001515900000000, -0.0000423400000000 ] - [ 0.0006369700000000, -0.0000989700000000, 0.0001431100000000 ] - [ -0.0004206900000000, -0.0001515900000000, -0.0000423400000000 ] - [ 0.0006369700000000, 0.0000989700000000, 0.0001431100000000 ] - [ -0.0030675100000000, 0.0011863500000000, 0.0026295700000000 ] - [ 0.0007318900000000, -0.0000051300000000, 0.0001655900000000 ] - [ -0.0009094100000000, 0.0000000000000000, 0.0000884000000000 ] - [ 0.0003443900000000, 0.0000000000000000, 0.0001324900000000 ] - [ -0.0030675100000000, -0.0011863500000000, 0.0026295700000000 ] - [ 0.0007318900000000, 0.0000051300000000, 0.0001655900000000 ] - [ 0.0030297400000000, -0.0013312900000000, 0.0008208400000000 ] - [ -0.0012018700000000, -0.0002093000000000, 0.0003769000000000 ] - [ 0.0002855300000000, 0.0000000000000000, 0.0000638000000000 ] - [ -0.0005695600000000, 0.0000000000000000, 0.0001692400000000 ] - [ 0.0030297400000000, 0.0013312900000000, 0.0008208400000000 ] - [ -0.0012018700000000, 0.0002093000000000, 0.0003769000000000 ] - [ 0.0002088100000000, 0.0000000000000000, -0.0000229000000000 ] - [ 0.0000539100000000, 0.0000000000000000, -0.0000048900000000 ] - [ 0.0001805000000000, -0.0000064900000000, -0.0000644100000000 ] - [ 0.0000793000000000, 0.0000294600000000, -0.0000454200000000 ] - [ 0.0001805000000000, 0.0000064900000000, -0.0000644100000000 ] - [ 0.0000793000000000, -0.0000294600000000, -0.0000454200000000 ] - [ 0.0043384900000000, 0.0022553400000000, -0.0004274200000000 ] - [ -0.0014972500000000, 0.0004546000000000, -0.0004583100000000 ] - [ 0.0002102900000000, 0.0000000000000000, -0.0004123300000000 ] - [ -0.0004648800000000, 0.0000000000000000, -0.0002835300000000 ] - [ 0.0043384900000000, -0.0022553400000000, -0.0004274200000000 ] - [ -0.0014972500000000, -0.0004546000000000, -0.0004583100000000 ] - [ 0.0003354800000000, 0.0000000000000000, 0.0007138900000000 ] - [ -0.0000880500000000, 0.0000000000000000, 0.0002226700000000 ] - [ 0.0003076000000000, 0.0000886800000000, 0.0004016800000000 ] - [ -0.0000424900000000, 0.0000035700000000, 0.0002271000000000 ] - [ 0.0003076000000000, -0.0000886800000000, 0.0004016800000000 ] - [ -0.0000424900000000, -0.0000035700000000, 0.0002271000000000 ] - [ 0.0201458300000000, 0.0000000000000000, -0.0152808100000000 ] - [ -0.0026199600000000, 0.0000000000000000, -0.0006598700000000 ] - [ 0.0031391200000000, 0.0022569200000000, 0.0008200900000000 ] - [ -0.0012511700000000, -0.0005025800000000, -0.0003171900000000 ] - [ 0.0031391200000000, -0.0022569200000000, 0.0008200900000000 ] - [ -0.0012511700000000, 0.0005025800000000, -0.0003171900000000 ] - [ 0.0008853600000000, -0.0001838500000000, -0.0021070800000000 ] - [ -0.0020408200000000, 0.0007375200000000, 0.0006562700000000 ] - [ 0.0004994400000000, 0.0000000000000000, -0.0007321700000000 ] - [ -0.0008596700000000, 0.0000000000000000, -0.0001072800000000 ] - [ 0.0008853600000000, 0.0001838500000000, -0.0021070800000000 ] - [ -0.0020408200000000, -0.0007375200000000, 0.0006562700000000 ] - [ 0.0004518200000000, 0.0000000000000000, 0.0031932600000000 ] - [ -0.0009599600000000, 0.0000000000000000, -0.0018366700000000 ] - [ 0.0004676200000000, -0.0007574600000000, 0.0008973800000000 ] - [ -0.0003941000000000, 0.0002803000000000, -0.0009112600000000 ] - [ 0.0004676200000000, 0.0007574600000000, 0.0008973800000000 ] - [ -0.0003941000000000, -0.0002803000000000, -0.0009112600000000 ] - [ 0.0007310200000000, 0.0000002000000000, 0.0005676000000000 ] - [ -0.0008575700000000, -0.0000556500000000, 0.0008508800000000 ] - [ 0.0004234300000000, 0.0000000000000000, 0.0006083500000000 ] - [ -0.0006477700000000, 0.0000000000000000, 0.0007300700000000 ] - [ 0.0007310200000000, -0.0000002000000000, 0.0005676000000000 ] - [ -0.0008575700000000, 0.0000556500000000, 0.0008508800000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0391503900000000, 0.0000000000000000, -0.0192077100000000 ] - [ -0.0006146800000000, 0.0000000000000000, 0.0000748000000000 ] - [ 0.0019859700000000, -0.0002569200000000, -0.0005899500000000 ] - [ -0.0002367100000000, -0.0000073000000000, -0.0000068000000000 ] - [ 0.0019859700000000, 0.0002569200000000, -0.0005899500000000 ] - [ -0.0002367100000000, 0.0000073000000000, -0.0000068000000000 ] - [ -0.0000204000000000, 0.0000819500000000, -0.0000820900000000 ] - [ -0.0005932300000000, 0.0000302600000000, 0.0003198600000000 ] - [ -0.0001623000000000, 0.0000000000000000, -0.0000482600000000 ] - [ -0.0005000000000000, 0.0000000000000000, 0.0001706400000000 ] - [ -0.0000204000000000, -0.0000819500000000, -0.0000820900000000 ] - [ -0.0005932300000000, -0.0000302600000000, 0.0003198600000000 ] - [ -0.0012571300000000, 0.0000000000000000, 0.0024344700000000 ] - [ -0.0012629400000000, 0.0000000000000000, -0.0019781900000000 ] - [ 0.0000164500000000, -0.0007222400000000, 0.0009089100000000 ] - [ 0.0000175200000000, 0.0003322500000000, -0.0004312500000000 ] - [ 0.0000164500000000, 0.0007222400000000, 0.0009089100000000 ] - [ 0.0000175200000000, -0.0003322500000000, -0.0004312500000000 ] - [ -0.0002211200000000, 0.0000365700000000, 0.0002424500000000 ] - [ -0.0003587500000000, -0.0000079200000000, 0.0001495600000000 ] - [ -0.0002311700000000, 0.0000000000000000, 0.0001865400000000 ] - [ -0.0003522500000000, 0.0000000000000000, 0.0001302600000000 ] - [ -0.0002211200000000, -0.0000365700000000, 0.0002424500000000 ] - [ -0.0003587500000000, 0.0000079200000000, 0.0001495600000000 ] - [ -0.0035601600000000, 0.0079564300000000, 0.0038953400000000 ] - [ -0.0016304800000000, -0.0002456400000000, -0.0003754300000000 ] - [ -0.0001027400000000, 0.0000000000000000, 0.0003469600000000 ] - [ -0.0005146500000000, 0.0000000000000000, 0.0002848400000000 ] - [ -0.0035601600000000, -0.0079564300000000, 0.0038953400000000 ] - [ -0.0016304800000000, 0.0002456400000000, -0.0003754300000000 ] - [ 0.0004063100000000, 0.0000000000000000, -0.0007482100000000 ] - [ -0.0000079600000000, 0.0000000000000000, -0.0000677500000000 ] - [ 0.0002631300000000, -0.0000587800000000, -0.0005860300000000 ] - [ 0.0001706700000000, 0.0002292600000000, -0.0002510800000000 ] - [ 0.0002631300000000, 0.0000587800000000, -0.0005860300000000 ] - [ 0.0001706700000000, -0.0002292600000000, -0.0002510800000000 ] - [ 0.0001783600000000, -0.0008431700000000, 0.0008429600000000 ] - [ -0.0006812300000000, 0.0001906300000000, -0.0006269000000000 ] - [ 0.0000641300000000, 0.0000000000000000, -0.0004452300000000 ] - [ -0.0004896500000000, 0.0000000000000000, -0.0005129000000000 ] - [ 0.0001783600000000, 0.0008431700000000, 0.0008429600000000 ] - [ -0.0006812300000000, -0.0001906300000000, -0.0006269000000000 ] - [ 0.0003958500000000, 0.0000000000000000, 0.0006443400000000 ] - [ 0.0000643400000000, 0.0000000000000000, 0.0006233200000000 ] - [ 0.0003644000000000, 0.0000040900000000, 0.0005913300000000 ] - [ 0.0001012900000000, -0.0000070700000000, 0.0006079900000000 ] - [ 0.0003644000000000, -0.0000040900000000, 0.0005913300000000 ] - [ 0.0001012900000000, 0.0000070700000000, 0.0006079900000000 ] - [ -0.0000294600000000, 0.0020890300000000, 0.0012961800000000 ] - [ 0.0002349200000000, -0.0001610400000000, -0.0000391600000000 ] - [ 0.0004522500000000, 0.0000000000000000, 0.0004100000000000 ] - [ 0.0003703300000000, 0.0000000000000000, 0.0000971700000000 ] - [ -0.0000294600000000, -0.0020890300000000, 0.0012961800000000 ] - [ 0.0002349200000000, 0.0001610400000000, -0.0000391600000000 ] - [ -0.0012880400000000, 0.0000000000000000, -0.0020851700000000 ] - [ -0.0020856500000000, 0.0000000000000000, 0.0007777100000000 ] - [ -0.0004663400000000, -0.0002735300000000, -0.0007372800000000 ] - [ -0.0008477900000000, 0.0005670000000000, 0.0000856400000000 ] - [ -0.0004663400000000, 0.0002735300000000, -0.0007372800000000 ] - [ -0.0008477900000000, -0.0005670000000000, 0.0000856400000000 ] - [ 0.0007783100000000, -0.0001319800000000, 0.0001902700000000 ] - [ 0.0002059400000000, 0.0000861200000000, -0.0003620600000000 ] - [ 0.0007160900000000, 0.0000000000000000, -0.0000031100000000 ] - [ 0.0002856400000000, 0.0000000000000000, -0.0003044500000000 ] - [ 0.0007783100000000, 0.0001319800000000, 0.0001902700000000 ] - [ 0.0002059400000000, -0.0000861200000000, -0.0003620600000000 ] - [ 0.0003083800000000, 0.0000000000000000, 0.0004461000000000 ] - [ -0.0009363500000000, 0.0000000000000000, 0.0002828700000000 ] - [ 0.0000110500000000, -0.0000200400000000, 0.0003263000000000 ] - [ -0.0007632100000000, -0.0000084800000000, 0.0002645600000000 ] - [ 0.0000110500000000, 0.0000200400000000, 0.0003263000000000 ] - [ -0.0007632100000000, 0.0000084800000000, 0.0002645600000000 ] - [ -0.0002017200000000, 0.0000000000000000, 0.0003505000000000 ] - [ 0.0003709500000000, 0.0000000000000000, -0.0001083700000000 ] - [ -0.0000530100000000, -0.0000387700000000, 0.0002248500000000 ] - [ 0.0002713200000000, 0.0000434400000000, -0.0000487500000000 ] - [ -0.0000530100000000, 0.0000387700000000, 0.0002248500000000 ] - [ 0.0002713200000000, -0.0000434400000000, -0.0000487500000000 ] - [ -0.0001495800000000, 0.0001244800000000, -0.0004460200000000 ] - [ -0.0005189800000000, -0.0002242000000000, 0.0004972600000000 ] - [ -0.0000502200000000, 0.0000000000000000, -0.0001125900000000 ] - [ -0.0004124100000000, 0.0000000000000000, 0.0002684200000000 ] - [ -0.0001495800000000, -0.0001244800000000, -0.0004460200000000 ] - [ -0.0005189800000000, 0.0002242000000000, 0.0004972600000000 ] - [ 0.0032630600000000, 0.0000000000000000, 0.0011378400000000 ] - [ -0.0005772200000000, 0.0000000000000000, -0.0001390900000000 ] - [ 0.0007245500000000, -0.0001544000000000, 0.0000602600000000 ] - [ -0.0003298100000000, 0.0000988400000000, -0.0001222300000000 ] - [ 0.0007245500000000, 0.0001544000000000, 0.0000602600000000 ] - [ -0.0003298100000000, -0.0000988400000000, -0.0001222300000000 ] - [ 0.0027385900000000, -0.0012055600000000, -0.0026749900000000 ] - [ -0.0010329200000000, 0.0000054600000000, -0.0001830000000000 ] - [ 0.0006041000000000, 0.0000000000000000, -0.0001082000000000 ] - [ -0.0006466000000000, 0.0000000000000000, -0.0001510800000000 ] - [ 0.0027385900000000, 0.0012055600000000, -0.0026749900000000 ] - [ -0.0010329200000000, -0.0000054600000000, -0.0001830000000000 ] - [ -0.0032953000000000, 0.0013882600000000, -0.0005056500000000 ] - [ 0.0009482000000000, 0.0002077400000000, -0.0000053000000000 ] - [ -0.0005332800000000, 0.0000000000000000, 0.0003043500000000 ] - [ 0.0003192600000000, 0.0000000000000000, 0.0002005900000000 ] - [ -0.0032953000000000, -0.0013882600000000, -0.0005056500000000 ] - [ 0.0009482000000000, -0.0002077400000000, -0.0000053000000000 ] - [ 0.0000412300000000, 0.0000000000000000, -0.0003451600000000 ] - [ 0.0001953100000000, 0.0000000000000000, -0.0003633500000000 ] - [ 0.0000690400000000, 0.0000066200000000, -0.0003037800000000 ] - [ 0.0001700100000000, -0.0000295000000000, -0.0003228300000000 ] - [ 0.0000690400000000, -0.0000066200000000, -0.0003037800000000 ] - [ 0.0001700100000000, 0.0000295000000000, -0.0003228300000000 ] - [ -0.0043831200000000, -0.0020393400000000, 0.0000358800000000 ] - [ 0.0012479000000000, -0.0004566800000000, 0.0000899300000000 ] - [ -0.0004549100000000, 0.0000000000000000, 0.0000426100000000 ] - [ 0.0002144600000000, 0.0000000000000000, -0.0000846200000000 ] - [ -0.0043831200000000, 0.0020393400000000, 0.0000358800000000 ] - [ 0.0012479000000000, 0.0004566800000000, 0.0000899300000000 ] - [ -0.0000854000000000, 0.0000000000000000, -0.0003440100000000 ] - [ 0.0003375200000000, 0.0000000000000000, 0.0001458600000000 ] - [ -0.0000577300000000, -0.0000884100000000, -0.0000319000000000 ] - [ 0.0002919800000000, -0.0000036500000000, 0.0001415200000000 ] - [ -0.0000577300000000, 0.0000884100000000, -0.0000319000000000 ] - [ 0.0002919800000000, 0.0000036500000000, 0.0001415200000000 ] - [ -0.0200321600000000, 0.0000000000000000, 0.0166258100000000 ] - [ 0.0028416500000000, 0.0000000000000000, 0.0014635600000000 ] - [ -0.0029147100000000, -0.0022447600000000, -0.0000043600000000 ] - [ 0.0014805500000000, 0.0004983200000000, 0.0011245000000000 ] - [ -0.0029147100000000, 0.0022447600000000, -0.0000043600000000 ] - [ 0.0014805500000000, -0.0004983200000000, 0.0011245000000000 ] - [ -0.0011043900000000, 0.0001789900000000, 0.0012948000000000 ] - [ 0.0018004800000000, -0.0007343100000000, -0.0014679900000000 ] - [ -0.0007271100000000, 0.0000000000000000, -0.0000827300000000 ] - [ 0.0006238300000000, 0.0000000000000000, -0.0007061800000000 ] - [ -0.0011043900000000, -0.0001789900000000, 0.0012948000000000 ] - [ 0.0018004800000000, 0.0007343100000000, -0.0014679900000000 ] - [ -0.0002042500000000, 0.0000000000000000, -0.0039933600000000 ] - [ 0.0011889400000000, 0.0000000000000000, 0.0010255100000000 ] - [ -0.0002282900000000, 0.0007574100000000, -0.0017039800000000 ] - [ 0.0006237700000000, -0.0002800800000000, 0.0000970500000000 ] - [ -0.0002282900000000, -0.0007574100000000, -0.0017039800000000 ] - [ 0.0006237700000000, 0.0002800800000000, 0.0000970500000000 ] - [ -0.0009621300000000, 0.0000009300000000, 0.0002436000000000 ] - [ 0.0006233400000000, 0.0000549400000000, -0.0000349600000000 ] - [ -0.0006548700000000, 0.0000000000000000, 0.0002049200000000 ] - [ 0.0004138500000000, 0.0000000000000000, 0.0000852800000000 ] - [ -0.0009621300000000, -0.0000009300000000, 0.0002436000000000 ] - [ 0.0006233400000000, -0.0000549400000000, -0.0000349600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002140400000000, -0.0389463100000000, 0.0001188200000000 ] - [ 0.0003165300000000, -0.0003823400000000, 0.0000225600000000 ] - [ 0.0000591000000000, 0.0022029500000000, 0.0005618100000000 ] - [ 0.0003078800000000, 0.0001908300000000, 0.0000404900000000 ] - [ 0.0005677900000000, 0.0021891400000000, -0.0005098700000000 ] - [ 0.0003242200000000, 0.0001911000000000, 0.0000039400000000 ] - [ -0.0003977800000000, -0.0000830500000000, 0.0002251400000000 ] - [ -0.0003452900000000, -0.0000317900000000, 0.0000594100000000 ] - [ -0.0003155300000000, 0.0001670000000000, -0.0000212100000000 ] - [ -0.0003151300000000, 0.0000612200000000, -0.0000219000000000 ] - [ -0.0002342900000000, -0.0000814600000000, -0.0002690200000000 ] - [ -0.0002847900000000, -0.0000313700000000, -0.0001034700000000 ] - [ 0.0003143400000000, -0.0011944700000000, -0.0000206700000000 ] - [ 0.0003179000000000, -0.0011944600000000, -0.0000160800000000 ] - [ 0.0006498100000000, 0.0006638700000000, -0.0007191700000000 ] - [ -0.0004113300000000, 0.0006634500000000, -0.0004299800000000 ] - [ -0.0000165200000000, 0.0006612500000000, 0.0006724700000000 ] - [ 0.0010386400000000, 0.0006616400000000, 0.0003880700000000 ] - [ -0.0003522600000000, -0.0000395300000000, -0.0000304800000000 ] - [ -0.0003076700000000, -0.0000328300000000, 0.0000133800000000 ] - [ -0.0003158300000000, 0.0000784600000000, 0.0000205000000000 ] - [ -0.0003158300000000, 0.0000652300000000, 0.0000205200000000 ] - [ -0.0002797500000000, -0.0000391300000000, 0.0000698800000000 ] - [ -0.0003239100000000, -0.0000327300000000, 0.0000278100000000 ] - [ -0.0058499200000000, 0.0039305300000000, 0.0048591000000000 ] - [ 0.0006717500000000, -0.0002616000000000, 0.0010983500000000 ] - [ -0.0002487400000000, 0.0014801700000000, 0.0004980000000000 ] - [ -0.0002474700000000, 0.0004288700000000, 0.0004969500000000 ] - [ 0.0052698000000000, 0.0039143300000000, -0.0038103600000000 ] - [ -0.0011618200000000, -0.0002594400000000, -0.0000997600000000 ] - [ 0.0002471100000000, -0.0005631500000000, -0.0004963900000000 ] - [ 0.0002499500000000, -0.0002250400000000, -0.0004972000000000 ] - [ 0.0003166700000000, 0.0002722300000000, -0.0003828700000000 ] - [ 0.0002154300000000, 0.0001011600000000, -0.0004364500000000 ] - [ 0.0001796100000000, 0.0002737800000000, -0.0006082400000000 ] - [ 0.0002815100000000, 0.0001040400000000, -0.0005561000000000 ] - [ 0.0006923700000000, -0.0000769300000000, -0.0021611800000000 ] - [ -0.0002809400000000, -0.0001802500000000, -0.0006640600000000 ] - [ -0.0002474100000000, 0.0006550400000000, -0.0004967500000000 ] - [ -0.0002482100000000, 0.0003643600000000, -0.0004958000000000 ] - [ -0.0011858300000000, -0.0000732500000000, 0.0011652600000000 ] - [ -0.0002150300000000, -0.0001794400000000, -0.0003271600000000 ] - [ 0.0002482700000000, -0.0002025200000000, 0.0004949900000000 ] - [ 0.0002481000000000, -0.0001026900000000, 0.0004956400000000 ] - [ 0.0002335600000000, 0.0000998200000000, 0.0004568900000000 ] - [ 0.0002444100000000, 0.0000497400000000, 0.0004913100000000 ] - [ 0.0002631300000000, 0.0000999900000000, 0.0005335600000000 ] - [ 0.0002517000000000, 0.0000499200000000, 0.0005000500000000 ] - [ 0.0003756900000000, -0.0012969900000000, 0.0004761800000000 ] - [ 0.0006310900000000, -0.0001440700000000, 0.0002843700000000 ] - [ 0.0004539700000000, 0.0008282500000000, 0.0002469100000000 ] - [ 0.0004543800000000, 0.0002869600000000, 0.0002466600000000 ] - [ 0.0005395800000000, -0.0012702800000000, 0.0000114600000000 ] - [ 0.0002767600000000, -0.0001429600000000, 0.0002092600000000 ] - [ -0.0004585400000000, -0.0009455900000000, -0.0002466300000000 ] - [ -0.0004372300000000, -0.0006126700000000, -0.0002470800000000 ] - [ -0.0001366500000000, 0.0004488100000000, 0.0000979400000000 ] - [ -0.0009829600000000, 0.0004509800000000, 0.0002525900000000 ] - [ -0.0007721300000000, 0.0004497000000000, -0.0005859400000000 ] - [ 0.0000740800000000, 0.0004530000000000, -0.0007410100000000 ] - [ 0.0004867600000000, -0.0001626100000000, -0.0004564500000000 ] - [ 0.0003812700000000, -0.0000933300000000, -0.0003086100000000 ] - [ 0.0004541300000000, 0.0003227600000000, -0.0002463000000000 ] - [ 0.0004539100000000, 0.0001837900000000, -0.0002463600000000 ] - [ 0.0004215400000000, -0.0001622900000000, -0.0000363300000000 ] - [ 0.0005260900000000, -0.0000930100000000, -0.0001835000000000 ] - [ -0.0004538500000000, -0.0005787400000000, 0.0002458900000000 ] - [ -0.0004540800000000, -0.0001373500000000, 0.0002457300000000 ] - [ -0.0004727500000000, 0.0002957400000000, -0.0001350100000000 ] - [ -0.0004985800000000, 0.0000693700000000, 0.0001797100000000 ] - [ -0.0004352300000000, 0.0002951800000000, 0.0006247000000000 ] - [ -0.0004098000000000, 0.0000695000000000, 0.0003115400000000 ] - [ 0.0001525900000000, -0.0001182900000000, -0.0000103800000000 ] - [ 0.0001520500000000, -0.0002485900000000, -0.0000104900000000 ] - [ 0.0002688300000000, 0.0000579900000000, -0.0001071100000000 ] - [ 0.0001736500000000, 0.0001222200000000, -0.0001113500000000 ] - [ 0.0000367200000000, 0.0000580600000000, 0.0000861900000000 ] - [ 0.0001307500000000, 0.0001221000000000, 0.0000905100000000 ] - [ -0.0006084600000000, -0.0001919400000000, -0.0006725300000000 ] - [ -0.0000218500000000, -0.0001823200000000, -0.0001790600000000 ] - [ -0.0001522600000000, 0.0003155100000000, 0.0000097700000000 ] - [ -0.0001514100000000, 0.0003715600000000, 0.0000094400000000 ] - [ 0.0003012400000000, -0.0001908100000000, 0.0006882200000000 ] - [ -0.0002808300000000, -0.0001819200000000, 0.0001981700000000 ] - [ 0.0001394100000000, -0.0008832100000000, 0.0000014700000000 ] - [ 0.0001543700000000, -0.0001810600000000, 0.0000104500000000 ] - [ 0.0004205300000000, 0.0005951700000000, 0.0006038600000000 ] - [ 0.0001698400000000, 0.0000909200000000, 0.0000978900000000 ] - [ -0.0001162400000000, 0.0005968300000000, -0.0005818200000000 ] - [ 0.0001371300000000, 0.0000923600000000, -0.0000764800000000 ] - [ 0.0010007100000000, 0.0026144200000000, 0.0060275000000000 ] - [ -0.0002169200000000, -0.0001408400000000, 0.0001202300000000 ] - [ -0.0001525700000000, 0.0011682100000000, -0.0000078900000000 ] - [ -0.0001517400000000, 0.0002794400000000, -0.0000089500000000 ] - [ -0.0012946400000000, 0.0026075700000000, -0.0059763300000000 ] - [ -0.0000843300000000, -0.0001391800000000, -0.0001371400000000 ] - [ -0.0008439200000000, 0.0035671300000000, -0.0008362200000000 ] - [ -0.0004559900000000, 0.0001705700000000, 0.0003952300000000 ] - [ -0.0001234900000000, -0.0011629900000000, 0.0001850300000000 ] - [ -0.0001251800000000, -0.0003268600000000, 0.0001844700000000 ] - [ 0.0005102700000000, 0.0034437000000000, 0.0010703700000000 ] - [ 0.0002040400000000, 0.0001697000000000, -0.0000253500000000 ] - [ 0.0001248100000000, 0.0001070100000000, -0.0001828800000000 ] - [ 0.0001245500000000, 0.0000688000000000, -0.0001827300000000 ] - [ 0.0001057200000000, -0.0000534800000000, -0.0002026500000000 ] - [ 0.0001397000000000, -0.0000347000000000, -0.0001788600000000 ] - [ 0.0001435600000000, -0.0000538500000000, -0.0001638500000000 ] - [ 0.0001096900000000, -0.0000349700000000, -0.0001872900000000 ] - [ 0.0026118300000000, 0.0047031800000000, -0.0001285800000000 ] - [ 0.0006349200000000, 0.0002178600000000, -0.0000953500000000 ] - [ -0.0001254600000000, -0.0012263700000000, -0.0001848800000000 ] - [ -0.0001240500000000, -0.0004572900000000, -0.0001850900000000 ] - [ -0.0026576000000000, 0.0045477200000000, -0.0002644900000000 ] - [ -0.0008854600000000, 0.0002144700000000, -0.0002766200000000 ] - [ 0.0001246900000000, 0.0001508000000000, 0.0001880500000000 ] - [ 0.0001244400000000, 0.0000801300000000, 0.0001852300000000 ] - [ 0.0001729400000000, -0.0000741500000000, 0.0000804700000000 ] - [ 0.0001033700000000, -0.0000401500000000, 0.0001485200000000 ] - [ 0.0000768100000000, -0.0000755000000000, 0.0002909000000000 ] - [ 0.0001454700000000, -0.0000404700000000, 0.0002214800000000 ] - [ 0.0001509600000000, 0.0140255400000000, 0.0003231600000000 ] - [ 0.0001153200000000, 0.0013587100000000, 0.0004028500000000 ] - [ 0.0011446400000000, -0.0042714100000000, -0.0024409900000000 ] - [ -0.0003032100000000, -0.0006807000000000, 0.0000830500000000 ] - [ -0.0009017300000000, -0.0042811000000000, 0.0032322200000000 ] - [ 0.0005324600000000, -0.0006812700000000, 0.0007245800000000 ] - [ -0.0013811600000000, 0.0007415000000000, -0.0022471900000000 ] - [ 0.0001949000000000, 0.0003952400000000, -0.0009807200000000 ] - [ -0.0001161100000000, -0.0013878900000000, -0.0004081700000000 ] - [ -0.0001172800000000, -0.0007870500000000, -0.0004070700000000 ] - [ 0.0011573100000000, 0.0007276600000000, 0.0014351700000000 ] - [ -0.0004416100000000, 0.0003832400000000, 0.0001736400000000 ] - [ 0.0001166500000000, 0.0021704200000000, -0.0004061300000000 ] - [ 0.0001176200000000, 0.0010331400000000, -0.0004071200000000 ] - [ -0.0002718200000000, -0.0010588300000000, 0.0006641400000000 ] - [ 0.0006222100000000, -0.0005228200000000, 0.0001909300000000 ] - [ 0.0005031500000000, -0.0010584200000000, -0.0014694500000000 ] - [ -0.0003852000000000, -0.0005225300000000, -0.0010001200000000 ] - [ -0.0001299000000000, 0.0003331600000000, 0.0010283800000000 ] - [ -0.0001737000000000, 0.0001571600000000, 0.0005557600000000 ] - [ -0.0001161000000000, -0.0006629100000000, 0.0004097500000000 ] - [ -0.0001168100000000, -0.0003143700000000, 0.0004089600000000 ] - [ -0.0001028800000000, 0.0003318300000000, -0.0002071600000000 ] - [ -0.0000598300000000, 0.0001567000000000, 0.0002619800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0200601700000000, 0.0000000000000000, -0.0663322100000000 ] - [ 0.0002610500000000, 0.0000000000000000, -0.0009564600000000 ] - [ 0.0009317200000000, -0.0005420400000000, -0.0025563200000000 ] - [ 0.0003432100000000, -0.0000178300000000, -0.0007192500000000 ] - [ 0.0009317200000000, 0.0005420400000000, -0.0025563200000000 ] - [ 0.0003432100000000, 0.0000178300000000, -0.0007192500000000 ] - [ -0.0002524900000000, 0.0002487000000000, 0.0010143300000000 ] - [ -0.0006585000000000, 0.0000819400000000, 0.0008405800000000 ] - [ -0.0002874500000000, 0.0000000000000000, 0.0005541000000000 ] - [ -0.0005082400000000, 0.0000000000000000, 0.0005101400000000 ] - [ -0.0002524900000000, -0.0002487000000000, 0.0010143300000000 ] - [ -0.0006585000000000, -0.0000819400000000, 0.0008405800000000 ] - [ -0.0016347500000000, 0.0000000000000000, 0.0004737400000000 ] - [ 0.0027822900000000, 0.0000000000000000, 0.0004691800000000 ] - [ -0.0000951300000000, -0.0004112500000000, -0.0002928300000000 ] - [ 0.0012486000000000, -0.0006945800000000, -0.0002983100000000 ] - [ -0.0000951300000000, 0.0004112500000000, -0.0002928300000000 ] - [ 0.0012486000000000, 0.0006945800000000, -0.0002983100000000 ] - [ -0.0000947000000000, 0.0000513100000000, 0.0011527000000000 ] - [ -0.0001869800000000, 0.0000076500000000, 0.0007599300000000 ] - [ -0.0001505000000000, 0.0000000000000000, 0.0008580400000000 ] - [ -0.0002061900000000, 0.0000000000000000, 0.0006447600000000 ] - [ -0.0000947000000000, -0.0000513100000000, 0.0011527000000000 ] - [ -0.0001869800000000, -0.0000076500000000, 0.0007599300000000 ] - [ -0.0033312100000000, 0.0050604700000000, -0.0029710800000000 ] - [ -0.0007625600000000, 0.0001074300000000, -0.0004790200000000 ] - [ -0.0004957600000000, 0.0000000000000000, -0.0005899300000000 ] - [ -0.0003879500000000, 0.0000000000000000, -0.0000642900000000 ] - [ -0.0033312100000000, -0.0050604700000000, -0.0029710800000000 ] - [ -0.0007625600000000, -0.0001074300000000, -0.0004790200000000 ] - [ 0.0008468800000000, 0.0000000000000000, 0.0001243500000000 ] - [ -0.0002850200000000, 0.0000000000000000, 0.0003832300000000 ] - [ 0.0005572200000000, 0.0004037900000000, -0.0000639000000000 ] - [ 0.0000779400000000, 0.0004940000000000, 0.0000089600000000 ] - [ 0.0005572200000000, -0.0004037900000000, -0.0000639000000000 ] - [ 0.0000779400000000, -0.0004940000000000, 0.0000089600000000 ] - [ -0.0018860900000000, -0.0018237700000000, 0.0016031900000000 ] - [ 0.0000291800000000, -0.0002495100000000, -0.0006220600000000 ] - [ -0.0002440400000000, 0.0000000000000000, -0.0006513200000000 ] - [ -0.0000660700000000, 0.0000000000000000, -0.0006584500000000 ] - [ -0.0018860900000000, 0.0018237700000000, 0.0016031900000000 ] - [ 0.0000291800000000, 0.0002495100000000, -0.0006220600000000 ] - [ 0.0001355600000000, 0.0000000000000000, 0.0014777900000000 ] - [ 0.0000995500000000, 0.0000000000000000, 0.0010290100000000 ] - [ 0.0001374500000000, -0.0001157100000000, 0.0011889100000000 ] - [ 0.0001286100000000, -0.0000419700000000, 0.0009555900000000 ] - [ 0.0001374500000000, 0.0001157100000000, 0.0011889100000000 ] - [ 0.0001286100000000, 0.0000419700000000, 0.0009555900000000 ] - [ -0.0011971000000000, 0.0044252700000000, 0.0019250300000000 ] - [ 0.0008965200000000, 0.0001462600000000, -0.0000318200000000 ] - [ 0.0002755900000000, 0.0000000000000000, 0.0003656600000000 ] - [ 0.0006386900000000, 0.0000000000000000, 0.0000925200000000 ] - [ -0.0011971000000000, -0.0044252700000000, 0.0019250300000000 ] - [ 0.0008965200000000, -0.0001462600000000, -0.0000318200000000 ] - [ 0.0010469500000000, 0.0000000000000000, -0.0005638500000000 ] - [ -0.0058691200000000, 0.0000000000000000, 0.0000286700000000 ] - [ 0.0000680700000000, 0.0003315200000000, -0.0007310800000000 ] - [ -0.0009520400000000, 0.0005620700000000, -0.0003812400000000 ] - [ 0.0000680700000000, -0.0003315200000000, -0.0007310800000000 ] - [ -0.0009520400000000, -0.0005620700000000, -0.0003812400000000 ] - [ 0.0005132200000000, -0.0002938200000000, 0.0005787400000000 ] - [ 0.0006758400000000, -0.0001213100000000, 0.0001255000000000 ] - [ 0.0005796900000000, 0.0000000000000000, 0.0002124500000000 ] - [ 0.0005770500000000, 0.0000000000000000, 0.0000382800000000 ] - [ 0.0005132200000000, 0.0002938200000000, 0.0005787400000000 ] - [ 0.0006758400000000, 0.0001213100000000, 0.0001255000000000 ] - [ -0.0002016400000000, 0.0000000000000000, 0.0021208200000000 ] - [ -0.0003400300000000, 0.0000000000000000, 0.0005128100000000 ] - [ -0.0003135400000000, -0.0004154800000000, 0.0008984700000000 ] - [ -0.0003921300000000, -0.0000725200000000, 0.0004264000000000 ] - [ -0.0003135400000000, 0.0004154800000000, 0.0008984700000000 ] - [ -0.0003921300000000, 0.0000725200000000, 0.0004264000000000 ] - [ -0.0003627300000000, 0.0000000000000000, 0.0007304300000000 ] - [ 0.0002477200000000, 0.0000000000000000, 0.0006271900000000 ] - [ -0.0001250900000000, -0.0000707200000000, 0.0004869900000000 ] - [ 0.0002293500000000, -0.0001545300000000, 0.0004219400000000 ] - [ -0.0001250900000000, 0.0000707200000000, 0.0004869900000000 ] - [ 0.0002293500000000, 0.0001545300000000, 0.0004219400000000 ] - [ 0.0004586700000000, -0.0002371100000000, 0.0009492400000000 ] - [ -0.0008442400000000, -0.0003199700000000, 0.0004632800000000 ] - [ -0.0001080700000000, 0.0000000000000000, 0.0001752400000000 ] - [ -0.0006001700000000, 0.0000000000000000, 0.0001728100000000 ] - [ 0.0004586700000000, 0.0002371100000000, 0.0009492400000000 ] - [ -0.0008442400000000, 0.0003199700000000, 0.0004632800000000 ] - [ 0.0036602000000000, 0.0000000000000000, 0.0028895400000000 ] - [ -0.0005732600000000, 0.0000000000000000, 0.0000754900000000 ] - [ 0.0004644000000000, 0.0008522000000000, 0.0005291600000000 ] - [ -0.0002551500000000, 0.0002466200000000, -0.0000519800000000 ] - [ 0.0004644000000000, -0.0008522000000000, 0.0005291600000000 ] - [ -0.0002551500000000, -0.0002466200000000, -0.0000519800000000 ] - [ 0.0028485900000000, 0.0068211800000000, 0.0035603300000000 ] - [ -0.0007475000000000, 0.0002291900000000, -0.0005480000000000 ] - [ 0.0002285200000000, 0.0000000000000000, -0.0004965300000000 ] - [ -0.0003927100000000, 0.0000000000000000, -0.0003743300000000 ] - [ 0.0028485900000000, -0.0068211800000000, 0.0035603300000000 ] - [ -0.0007475000000000, -0.0002291900000000, -0.0005480000000000 ] - [ -0.0006768400000000, 0.0000654400000000, 0.0028810400000000 ] - [ 0.0003884400000000, 0.0001946200000000, 0.0006506400000000 ] - [ -0.0001974800000000, 0.0000000000000000, 0.0008289700000000 ] - [ 0.0000723100000000, 0.0000000000000000, 0.0006088400000000 ] - [ -0.0006768400000000, -0.0000654400000000, 0.0028810400000000 ] - [ 0.0003884400000000, -0.0001946200000000, 0.0006506400000000 ] - [ 0.0000195800000000, 0.0000000000000000, -0.0011199000000000 ] - [ 0.0001234200000000, 0.0000000000000000, -0.0010320400000000 ] - [ 0.0000610800000000, -0.0000321600000000, -0.0009118800000000 ] - [ 0.0001022800000000, -0.0000319100000000, -0.0008490500000000 ] - [ 0.0000610800000000, 0.0000321600000000, -0.0009118800000000 ] - [ 0.0001022800000000, 0.0000319100000000, -0.0008490500000000 ] - [ 0.0006001800000000, 0.0010103200000000, 0.0029392700000000 ] - [ -0.0002447600000000, 0.0000482900000000, 0.0012764700000000 ] - [ -0.0001727000000000, 0.0000000000000000, 0.0006663400000000 ] - [ -0.0001286400000000, 0.0000000000000000, 0.0006244900000000 ] - [ 0.0006001800000000, -0.0010103200000000, 0.0029392700000000 ] - [ -0.0002447600000000, -0.0000482900000000, 0.0012764700000000 ] - [ 0.0001937600000000, 0.0000000000000000, -0.0014373900000000 ] - [ 0.0001797000000000, 0.0000000000000000, -0.0003859100000000 ] - [ 0.0001420300000000, -0.0002302000000000, -0.0006902700000000 ] - [ 0.0001766400000000, -0.0000571800000000, -0.0002830700000000 ] - [ 0.0001420300000000, 0.0002302000000000, -0.0006902700000000 ] - [ 0.0001766400000000, 0.0000571800000000, -0.0002830700000000 ] - [ -0.0158477600000000, 0.0000000000000000, 0.0495274900000000 ] - [ 0.0002163100000000, 0.0000000000000000, 0.0023361200000000 ] - [ 0.0000230400000000, -0.0040481700000000, 0.0030031400000000 ] - [ 0.0002526500000000, -0.0001697700000000, 0.0018183100000000 ] - [ 0.0000230400000000, 0.0040481700000000, 0.0030031400000000 ] - [ 0.0002526500000000, 0.0001697700000000, 0.0018183100000000 ] - [ -0.0033034400000000, -0.0017802900000000, -0.0023536000000000 ] - [ 0.0028180200000000, -0.0016837400000000, -0.0019035300000000 ] - [ -0.0008808900000000, 0.0000000000000000, -0.0005821800000000 ] - [ 0.0007178900000000, 0.0000000000000000, -0.0007257400000000 ] - [ -0.0033034400000000, 0.0017802900000000, -0.0023536000000000 ] - [ 0.0028180200000000, 0.0016837400000000, -0.0019035300000000 ] - [ 0.0029524400000000, 0.0000000000000000, -0.0049085200000000 ] - [ -0.0014655500000000, 0.0000000000000000, -0.0018882000000000 ] - [ 0.0011511500000000, 0.0016311200000000, -0.0016086600000000 ] - [ -0.0006359200000000, 0.0005973000000000, -0.0010027100000000 ] - [ 0.0011511500000000, -0.0016311200000000, -0.0016086600000000 ] - [ -0.0006359200000000, -0.0005973000000000, -0.0010027100000000 ] - [ -0.0006011500000000, 0.0006087500000000, -0.0023789500000000 ] - [ 0.0001755800000000, 0.0001830100000000, -0.0009936300000000 ] - [ -0.0004561000000000, 0.0000000000000000, -0.0011700200000000 ] - [ 0.0000612300000000, 0.0000000000000000, -0.0006930300000000 ] - [ -0.0006011500000000, -0.0006087500000000, -0.0023789500000000 ] - [ 0.0001755800000000, -0.0001830100000000, -0.0009936300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0179496600000000, 0.0000000000000000, 0.0637863200000000 ] - [ 0.0003669900000000, 0.0000000000000000, 0.0009973900000000 ] - [ -0.0002900400000000, 0.0005271200000000, 0.0025918400000000 ] - [ 0.0002860800000000, 0.0000172300000000, 0.0007610600000000 ] - [ -0.0002900400000000, -0.0005271200000000, 0.0025918400000000 ] - [ 0.0002860800000000, -0.0000172300000000, 0.0007610600000000 ] - [ -0.0003748800000000, -0.0002461700000000, -0.0010545500000000 ] - [ 0.0000233700000000, -0.0000807000000000, -0.0008769000000000 ] - [ -0.0003416800000000, 0.0000000000000000, -0.0005963800000000 ] - [ -0.0001242000000000, 0.0000000000000000, -0.0005514800000000 ] - [ -0.0003748800000000, 0.0002461700000000, -0.0010545500000000 ] - [ 0.0000233700000000, 0.0000807000000000, -0.0008769000000000 ] - [ 0.0022686400000000, 0.0000000000000000, -0.0004946000000000 ] - [ -0.0021480100000000, 0.0000000000000000, -0.0004991800000000 ] - [ 0.0007247800000000, 0.0004059800000000, 0.0002634400000000 ] - [ -0.0006190500000000, 0.0006965900000000, 0.0002582900000000 ] - [ 0.0007247800000000, -0.0004059800000000, 0.0002634400000000 ] - [ -0.0006190500000000, -0.0006965900000000, 0.0002582900000000 ] - [ -0.0005366000000000, -0.0000501900000000, -0.0011060400000000 ] - [ -0.0004439500000000, -0.0000071900000000, -0.0007144100000000 ] - [ -0.0004803800000000, 0.0000000000000000, -0.0008120400000000 ] - [ -0.0004252600000000, 0.0000000000000000, -0.0006004400000000 ] - [ -0.0005366000000000, 0.0000501900000000, -0.0011060400000000 ] - [ -0.0004439500000000, 0.0000071900000000, -0.0007144100000000 ] - [ 0.0028521900000000, -0.0050617900000000, 0.0038916300000000 ] - [ 0.0002539500000000, -0.0001087200000000, 0.0014630200000000 ] - [ 0.0000012100000000, 0.0000000000000000, 0.0015787900000000 ] - [ -0.0001113300000000, 0.0000000000000000, 0.0010538200000000 ] - [ 0.0028521900000000, 0.0050617900000000, 0.0038916300000000 ] - [ 0.0002539500000000, 0.0001087200000000, 0.0014630200000000 ] - [ -0.0003469800000000, 0.0000000000000000, -0.0011166600000000 ] - [ 0.0007748200000000, 0.0000000000000000, -0.0013670700000000 ] - [ -0.0000598300000000, -0.0004021700000000, -0.0009273100000000 ] - [ 0.0004164900000000, -0.0004879600000000, -0.0009984000000000 ] - [ -0.0000598300000000, 0.0004021700000000, -0.0009273100000000 ] - [ 0.0004164900000000, 0.0004879600000000, -0.0009984000000000 ] - [ 0.0013997200000000, 0.0018370000000000, -0.0025938800000000 ] - [ -0.0005265200000000, 0.0002491300000000, -0.0003675200000000 ] - [ -0.0002507300000000, 0.0000000000000000, -0.0003363900000000 ] - [ -0.0004311200000000, 0.0000000000000000, -0.0003316100000000 ] - [ 0.0013997200000000, -0.0018370000000000, -0.0025938800000000 ] - [ -0.0005265200000000, -0.0002491300000000, -0.0003675200000000 ] - [ 0.0003604700000000, 0.0000000000000000, -0.0004848300000000 ] - [ 0.0003948800000000, 0.0000000000000000, -0.0000334200000000 ] - [ 0.0003594900000000, 0.0001166400000000, -0.0001943000000000 ] - [ 0.0003661600000000, 0.0000422000000000, 0.0000393900000000 ] - [ 0.0003594900000000, -0.0001166400000000, -0.0001943000000000 ] - [ 0.0003661600000000, -0.0000422000000000, 0.0000393900000000 ] - [ 0.0020953500000000, -0.0043638000000000, -0.0014188500000000 ] - [ 0.0000121200000000, -0.0001466600000000, 0.0005210200000000 ] - [ 0.0006356000000000, 0.0000000000000000, 0.0001238300000000 ] - [ 0.0002698300000000, 0.0000000000000000, 0.0003983200000000 ] - [ 0.0020953500000000, 0.0043638000000000, -0.0014188500000000 ] - [ 0.0000121200000000, 0.0001466600000000, 0.0005210200000000 ] - [ -0.0019568100000000, 0.0000000000000000, 0.0000555200000000 ] - [ 0.0048830500000000, 0.0000000000000000, -0.0005280100000000 ] - [ -0.0009757600000000, -0.0003319700000000, 0.0002341700000000 ] - [ 0.0000448300000000, -0.0005591700000000, -0.0001156800000000 ] - [ -0.0009757600000000, 0.0003319700000000, 0.0002341700000000 ] - [ 0.0000448300000000, 0.0005591700000000, -0.0001156800000000 ] - [ 0.0003975300000000, 0.0002948900000000, -0.0010675900000000 ] - [ 0.0002314600000000, 0.0001213300000000, -0.0006147300000000 ] - [ 0.0003300800000000, 0.0000000000000000, -0.0007009400000000 ] - [ 0.0003305900000000, 0.0000000000000000, -0.0005283100000000 ] - [ 0.0003975300000000, -0.0002948900000000, -0.0010675900000000 ] - [ 0.0002314600000000, -0.0001213300000000, -0.0006147300000000 ] - [ -0.0007044900000000, 0.0000000000000000, -0.0016335000000000 ] - [ -0.0005688200000000, 0.0000000000000000, -0.0000182400000000 ] - [ -0.0005925000000000, 0.0004166500000000, -0.0004036500000000 ] - [ -0.0005168600000000, 0.0000725100000000, 0.0000678200000000 ] - [ -0.0005925000000000, -0.0004166500000000, -0.0004036500000000 ] - [ -0.0005168600000000, -0.0000725100000000, 0.0000678200000000 ] - [ 0.0006674300000000, 0.0000000000000000, -0.0007476100000000 ] - [ 0.0000550500000000, 0.0000000000000000, -0.0006440700000000 ] - [ 0.0004290000000000, 0.0000708800000000, -0.0005038100000000 ] - [ 0.0000743300000000, 0.0001552700000000, -0.0004389200000000 ] - [ 0.0004290000000000, -0.0000708800000000, -0.0005038100000000 ] - [ 0.0000743300000000, -0.0001552700000000, -0.0004389200000000 ] - [ -0.0007646400000000, 0.0002374400000000, -0.0009269000000000 ] - [ 0.0005402000000000, 0.0003203400000000, -0.0004392700000000 ] - [ -0.0001962700000000, 0.0000000000000000, -0.0001526000000000 ] - [ 0.0002954400000000, 0.0000000000000000, -0.0001489500000000 ] - [ -0.0007646400000000, -0.0002374400000000, -0.0009269000000000 ] - [ 0.0005402000000000, -0.0003203400000000, -0.0004392700000000 ] - [ -0.0033160900000000, 0.0000000000000000, -0.0028499600000000 ] - [ 0.0008679300000000, 0.0000000000000000, -0.0000556300000000 ] - [ -0.0001571800000000, -0.0008480400000000, -0.0005096900000000 ] - [ 0.0005554100000000, -0.0002437800000000, 0.0000702600000000 ] - [ -0.0001571800000000, 0.0008480400000000, -0.0005096900000000 ] - [ 0.0005554100000000, 0.0002437800000000, 0.0000702600000000 ] - [ -0.0031132500000000, -0.0067358200000000, -0.0035574700000000 ] - [ 0.0004343400000000, -0.0002269300000000, 0.0005244400000000 ] - [ -0.0005326700000000, 0.0000000000000000, 0.0004732100000000 ] - [ 0.0000848200000000, 0.0000000000000000, 0.0003531800000000 ] - [ -0.0031132500000000, 0.0067358200000000, -0.0035574700000000 ] - [ 0.0004343400000000, 0.0002269300000000, 0.0005244400000000 ] - [ 0.0003470800000000, 0.0000643900000000, -0.0026266100000000 ] - [ -0.0006313500000000, -0.0001940800000000, -0.0002840100000000 ] - [ -0.0000547900000000, 0.0000000000000000, -0.0004626900000000 ] - [ -0.0003183200000000, 0.0000000000000000, -0.0002397300000000 ] - [ 0.0003470800000000, -0.0000643900000000, -0.0026266100000000 ] - [ -0.0006313500000000, 0.0001940800000000, -0.0002840100000000 ] - [ 0.0002277400000000, 0.0000000000000000, 0.0007505800000000 ] - [ 0.0001271200000000, 0.0000000000000000, 0.0006608700000000 ] - [ 0.0001869700000000, 0.0000316000000000, 0.0005432600000000 ] - [ 0.0001476400000000, 0.0000310500000000, 0.0004796300000000 ] - [ 0.0001869700000000, -0.0000316000000000, 0.0005432600000000 ] - [ 0.0001476400000000, -0.0000310500000000, 0.0004796300000000 ] - [ -0.0008404600000000, -0.0010005300000000, -0.0033191500000000 ] - [ -0.0000072600000000, -0.0000475000000000, -0.0016413700000000 ] - [ -0.0000752900000000, 0.0000000000000000, -0.0010326000000000 ] - [ -0.0001199500000000, 0.0000000000000000, -0.0009911600000000 ] - [ -0.0008404600000000, 0.0010005300000000, -0.0033191500000000 ] - [ -0.0000072600000000, 0.0000475000000000, -0.0016413700000000 ] - [ 0.0000532200000000, 0.0000000000000000, 0.0017962700000000 ] - [ 0.0000713800000000, 0.0000000000000000, 0.0007547100000000 ] - [ 0.0001055900000000, 0.0002275600000000, 0.0010575200000000 ] - [ 0.0000737700000000, 0.0000565900000000, 0.0006523800000000 ] - [ 0.0001055900000000, -0.0002275600000000, 0.0010575200000000 ] - [ 0.0000737700000000, -0.0000565900000000, 0.0006523800000000 ] - [ 0.0146918700000000, 0.0000000000000000, -0.0460356900000000 ] - [ 0.0000383800000000, 0.0000000000000000, -0.0015056200000000 ] - [ 0.0001996300000000, 0.0040444400000000, -0.0021469200000000 ] - [ -0.0000099000000000, 0.0001721400000000, -0.0009931500000000 ] - [ 0.0001996300000000, -0.0040444400000000, -0.0021469200000000 ] - [ -0.0000099000000000, -0.0001721400000000, -0.0009931500000000 ] - [ 0.0030507000000000, 0.0017720800000000, 0.0015549000000000 ] - [ -0.0030219500000000, 0.0016612500000000, 0.0010857300000000 ] - [ 0.0006443800000000, 0.0000000000000000, -0.0002213100000000 ] - [ -0.0009470900000000, 0.0000000000000000, -0.0000801000000000 ] - [ 0.0030507000000000, -0.0017720800000000, 0.0015549000000000 ] - [ -0.0030219500000000, -0.0016612500000000, 0.0010857300000000 ] - [ -0.0027420900000000, 0.0000000000000000, 0.0040966200000000 ] - [ 0.0017023400000000, 0.0000000000000000, 0.0010696800000000 ] - [ -0.0009236900000000, -0.0016343400000000, 0.0007853500000000 ] - [ 0.0008722000000000, -0.0005976800000000, 0.0001879800000000 ] - [ -0.0009236900000000, 0.0016343400000000, 0.0007853500000000 ] - [ 0.0008722000000000, 0.0005976800000000, 0.0001879800000000 ] - [ 0.0003673800000000, -0.0006128900000000, 0.0031902200000000 ] - [ -0.0004070800000000, -0.0001836600000000, 0.0018024500000000 ] - [ 0.0002211800000000, 0.0000000000000000, 0.0019792900000000 ] - [ -0.0002924400000000, 0.0000000000000000, 0.0015029800000000 ] - [ 0.0003673800000000, 0.0006128900000000, 0.0031902200000000 ] - [ -0.0004070800000000, 0.0001836600000000, 0.0018024500000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0036265100000000, -0.0055988100000000, -0.0030847500000000 ] - [ 0.0016954000000000, 0.0009106600000000, -0.0004844800000000 ] - [ 0.0036265100000000, 0.0055988100000000, -0.0030847500000000 ] - [ 0.0016954000000000, -0.0009106600000000, -0.0004844800000000 ] - [ 0.0001705300000000, 0.0000000000000000, -0.0002257900000000 ] - [ 0.0005819400000000, 0.0000000000000000, -0.0001171300000000 ] - [ -0.0004759800000000, 0.0000000000000000, 0.0005766300000000 ] - [ -0.0000594000000000, 0.0000000000000000, -0.0005489500000000 ] - [ -0.0003308300000000, 0.0000686300000000, 0.0002867100000000 ] - [ -0.0002377800000000, -0.0000330200000000, -0.0001899200000000 ] - [ -0.0003308300000000, -0.0000686300000000, 0.0002867100000000 ] - [ -0.0002377800000000, 0.0000330200000000, -0.0001899200000000 ] - [ 0.0007483100000000, -0.0000336500000000, -0.0002997100000000 ] - [ -0.0001087400000000, 0.0009368500000000, 0.0016205200000000 ] - [ 0.0007483100000000, 0.0000336500000000, -0.0002997100000000 ] - [ -0.0001087400000000, -0.0009368500000000, 0.0016205200000000 ] - [ 0.0005569900000000, 0.0000000000000000, -0.0002042600000000 ] - [ 0.0000034700000000, 0.0000000000000000, -0.0000245300000000 ] - [ -0.0004636800000000, 0.0000000000000000, 0.0001332800000000 ] - [ -0.0001325600000000, 0.0000000000000000, 0.0001688800000000 ] - [ -0.0004322100000000, -0.0000146600000000, 0.0001317400000000 ] - [ -0.0001693800000000, -0.0000035300000000, 0.0001401100000000 ] - [ -0.0004322100000000, 0.0000146600000000, 0.0001317400000000 ] - [ -0.0001693800000000, 0.0000035300000000, 0.0001401100000000 ] - [ -0.0533128500000000, 0.0000000000000000, -0.0147243200000000 ] - [ 0.0006458700000000, 0.0000000000000000, 0.0004955800000000 ] - [ -0.0015933400000000, 0.0004633300000000, -0.0002545700000000 ] - [ 0.0002457400000000, -0.0001789100000000, 0.0005124400000000 ] - [ -0.0015933400000000, -0.0004633300000000, -0.0002545700000000 ] - [ 0.0002457400000000, 0.0001789100000000, 0.0005124400000000 ] - [ 0.0006440400000000, -0.0002943200000000, -0.0002005700000000 ] - [ -0.0002064300000000, 0.0002565900000000, -0.0009675400000000 ] - [ 0.0006440400000000, 0.0002943200000000, -0.0002005700000000 ] - [ -0.0002064300000000, -0.0002565900000000, -0.0009675400000000 ] - [ 0.0004998000000000, 0.0000000000000000, -0.0003073200000000 ] - [ -0.0002326900000000, 0.0000000000000000, -0.0005548300000000 ] - [ -0.0001759000000000, 0.0000000000000000, -0.0009243300000000 ] - [ -0.0001722000000000, 0.0000000000000000, 0.0009214100000000 ] - [ -0.0001736700000000, 0.0000729700000000, -0.0007595400000000 ] - [ -0.0001734400000000, -0.0002782100000000, -0.0003311400000000 ] - [ -0.0001736700000000, -0.0000729700000000, -0.0007595400000000 ] - [ -0.0001734400000000, 0.0002782100000000, -0.0003311400000000 ] - [ 0.0001463600000000, 0.0000100800000000, 0.0006168300000000 ] - [ 0.0003293300000000, 0.0000364100000000, 0.0005492600000000 ] - [ 0.0001463600000000, -0.0000100800000000, 0.0006168300000000 ] - [ 0.0003293300000000, -0.0000364100000000, 0.0005492600000000 ] - [ 0.0001696400000000, 0.0000000000000000, 0.0005990100000000 ] - [ 0.0002985900000000, 0.0000000000000000, 0.0005455800000000 ] - [ -0.0035896700000000, 0.0000000000000000, 0.0013232800000000 ] - [ 0.0014279700000000, 0.0000000000000000, -0.0001032300000000 ] - [ -0.0013327800000000, 0.0013414000000000, 0.0014715900000000 ] - [ 0.0009780000000000, -0.0000609200000000, 0.0000630100000000 ] - [ -0.0013327800000000, -0.0013414000000000, 0.0014715900000000 ] - [ 0.0009780000000000, 0.0000609200000000, 0.0000630100000000 ] - [ 0.0006036100000000, -0.0003314400000000, -0.0002852800000000 ] - [ -0.0000296200000000, 0.0054500300000000, -0.0049616800000000 ] - [ 0.0006036100000000, 0.0003314400000000, -0.0002852800000000 ] - [ -0.0000296200000000, -0.0054500300000000, -0.0049616800000000 ] - [ 0.0000642200000000, 0.0000000000000000, -0.0003275600000000 ] - [ -0.0010994300000000, 0.0000000000000000, -0.0001877000000000 ] - [ 0.0004143300000000, 0.0000000000000000, -0.0003025500000000 ] - [ 0.0005643500000000, 0.0000000000000000, 0.0000611600000000 ] - [ 0.0004185100000000, 0.0000052500000000, -0.0002854200000000 ] - [ 0.0005442100000000, -0.0001245300000000, -0.0000948900000000 ] - [ 0.0004185100000000, -0.0000052500000000, -0.0002854200000000 ] - [ 0.0005442100000000, 0.0001245300000000, -0.0000948900000000 ] - [ -0.0006231800000000, 0.0000005900000000, 0.0001566200000000 ] - [ -0.0001698300000000, 0.0001003100000000, 0.0004522500000000 ] - [ -0.0006231800000000, -0.0000005900000000, 0.0001566200000000 ] - [ -0.0001698300000000, -0.0001003100000000, 0.0004522500000000 ] - [ -0.0005696300000000, 0.0000000000000000, 0.0001802600000000 ] - [ -0.0003177400000000, 0.0000000000000000, 0.0003327500000000 ] - [ 0.0003294000000000, 0.0000183500000000, -0.0000121200000000 ] - [ -0.0001194200000000, 0.0000314600000000, 0.0001780900000000 ] - [ 0.0003294000000000, -0.0000183500000000, -0.0000121200000000 ] - [ -0.0001194200000000, -0.0000314600000000, 0.0001780900000000 ] - [ 0.0002941200000000, 0.0000000000000000, -0.0000187900000000 ] - [ -0.0000000400000000, 0.0000000000000000, 0.0000995500000000 ] - [ -0.0006392100000000, 0.0000000000000000, 0.0002370300000000 ] - [ 0.0001186600000000, 0.0000000000000000, -0.0000080500000000 ] - [ -0.0004520200000000, -0.0001834900000000, 0.0001406200000000 ] - [ 0.0000417600000000, -0.0000005100000000, -0.0000372100000000 ] - [ -0.0004520200000000, 0.0001834900000000, 0.0001406200000000 ] - [ 0.0000417600000000, 0.0000005100000000, -0.0000372100000000 ] - [ 0.0007795800000000, -0.0003630300000000, 0.0008606900000000 ] - [ 0.0005096800000000, 0.0002982900000000, -0.0002707400000000 ] - [ 0.0007795800000000, 0.0003630300000000, 0.0008606900000000 ] - [ 0.0005096800000000, -0.0002982900000000, -0.0002707400000000 ] - [ 0.0002311500000000, 0.0000000000000000, 0.0002275600000000 ] - [ 0.0003080800000000, 0.0000000000000000, -0.0000066700000000 ] - [ 0.0102617000000000, 0.0000000000000000, 0.0069201100000000 ] - [ 0.0014643900000000, 0.0000000000000000, -0.0010591700000000 ] - [ 0.0007712900000000, 0.0010405800000000, 0.0001044900000000 ] - [ 0.0001440900000000, -0.0003346500000000, -0.0001763400000000 ] - [ 0.0007712900000000, -0.0010405800000000, 0.0001044900000000 ] - [ 0.0001440900000000, 0.0003346500000000, -0.0001763400000000 ] - [ 0.0029161400000000, 0.0000000000000000, -0.0022315000000000 ] - [ -0.0012061700000000, 0.0000000000000000, -0.0001393400000000 ] - [ 0.0005811800000000, -0.0000224900000000, 0.0006151800000000 ] - [ -0.0005170200000000, 0.0001433600000000, 0.0001004000000000 ] - [ 0.0005811800000000, 0.0000224900000000, 0.0006151800000000 ] - [ -0.0005170200000000, -0.0001433600000000, 0.0001004000000000 ] - [ 0.0000208500000000, 0.0000235500000000, -0.0003929200000000 ] - [ 0.0002159900000000, -0.0000447100000000, -0.0001803800000000 ] - [ 0.0000208500000000, -0.0000235500000000, -0.0003929200000000 ] - [ 0.0002159900000000, 0.0000447100000000, -0.0001803800000000 ] - [ 0.0000395400000000, 0.0000000000000000, -0.0003374900000000 ] - [ 0.0002026700000000, 0.0000000000000000, -0.0002193400000000 ] - [ -0.0018787500000000, 0.0000000000000000, 0.0008104400000000 ] - [ 0.0098229100000000, 0.0000000000000000, 0.0041845200000000 ] - [ -0.0007015300000000, -0.0003441100000000, 0.0001077900000000 ] - [ -0.0000894500000000, 0.0009545600000000, -0.0002637000000000 ] - [ -0.0007015300000000, 0.0003441100000000, 0.0001077900000000 ] - [ -0.0000894500000000, -0.0009545600000000, -0.0002637000000000 ] - [ 0.0004302400000000, 0.0000043200000000, -0.0001505900000000 ] - [ -0.0001458300000000, -0.0000322600000000, 0.0002052800000000 ] - [ 0.0004302400000000, -0.0000043200000000, -0.0001505900000000 ] - [ -0.0001458300000000, 0.0000322600000000, 0.0002052800000000 ] - [ 0.0002781500000000, 0.0000000000000000, -0.0000746500000000 ] - [ -0.0000492600000000, 0.0000000000000000, 0.0001689900000000 ] - [ 0.0152568200000000, -0.0082646800000000, 0.0068209500000000 ] - [ -0.0024669100000000, -0.0007031100000000, 0.0014311300000000 ] - [ 0.0152568200000000, 0.0082646800000000, 0.0068209500000000 ] - [ -0.0024669100000000, 0.0007031100000000, 0.0014311300000000 ] - [ 0.0012617000000000, 0.0000000000000000, 0.0006645600000000 ] - [ -0.0009157100000000, 0.0000000000000000, 0.0007331800000000 ] - [ -0.0028899400000000, 0.0000000000000000, -0.0028847400000000 ] - [ -0.0006029200000000, 0.0000000000000000, 0.0047670800000000 ] - [ -0.0013040900000000, -0.0006112000000000, -0.0010409000000000 ] - [ 0.0006800900000000, 0.0015348400000000, 0.0005569100000000 ] - [ -0.0013040900000000, 0.0006112000000000, -0.0010409000000000 ] - [ 0.0006800900000000, -0.0015348400000000, 0.0005569100000000 ] - [ -0.0001882300000000, 0.0000459800000000, 0.0000838100000000 ] - [ 0.0001694700000000, -0.0006723900000000, -0.0019534600000000 ] - [ -0.0001882300000000, -0.0000459800000000, 0.0000838100000000 ] - [ 0.0001694700000000, 0.0006723900000000, -0.0019534600000000 ] - [ -0.0000912000000000, 0.0000000000000000, -0.0000979800000000 ] - [ 0.0003182500000000, 0.0000000000000000, -0.0006895900000000 ] - [ 0.0004258100000000, 0.0000000000000000, 0.0001776400000000 ] - [ -0.0006814400000000, 0.0000000000000000, 0.0000682500000000 ] - [ 0.0002933200000000, 0.0000497200000000, 0.0002307000000000 ] - [ -0.0005303300000000, 0.0001042800000000, 0.0002022600000000 ] - [ 0.0002933200000000, -0.0000497200000000, 0.0002307000000000 ] - [ -0.0005303300000000, -0.0001042800000000, 0.0002022600000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0029726800000000, 0.0055218000000000, 0.0030973800000000 ] - [ -0.0010775600000000, -0.0009225400000000, 0.0005334300000000 ] - [ -0.0029726800000000, -0.0055218000000000, 0.0030973800000000 ] - [ -0.0010775600000000, 0.0009225400000000, 0.0005334300000000 ] - [ 0.0004598200000000, 0.0000000000000000, 0.0002698400000000 ] - [ 0.0000481300000000, 0.0000000000000000, 0.0001597200000000 ] - [ -0.0001600400000000, 0.0000000000000000, -0.0006175500000000 ] - [ -0.0005733200000000, 0.0000000000000000, 0.0005094100000000 ] - [ -0.0003017200000000, -0.0000689900000000, -0.0003300700000000 ] - [ -0.0003938300000000, 0.0000328800000000, 0.0001476100000000 ] - [ -0.0003017200000000, 0.0000689900000000, -0.0003300700000000 ] - [ -0.0003938300000000, -0.0000328800000000, 0.0001476100000000 ] - [ -0.0001210300000000, 0.0000329000000000, 0.0002562900000000 ] - [ 0.0007519600000000, -0.0009406600000000, -0.0016656600000000 ] - [ -0.0001210300000000, -0.0000329000000000, 0.0002562900000000 ] - [ 0.0007519600000000, 0.0009406600000000, -0.0016656600000000 ] - [ 0.0000714200000000, 0.0000000000000000, 0.0001609600000000 ] - [ 0.0006290800000000, 0.0000000000000000, -0.0000177300000000 ] - [ -0.0001680100000000, 0.0000000000000000, -0.0000916700000000 ] - [ -0.0005006100000000, 0.0000000000000000, -0.0001268100000000 ] - [ -0.0001998200000000, 0.0000144300000000, -0.0000901700000000 ] - [ -0.0004636200000000, 0.0000036900000000, -0.0000978400000000 ] - [ -0.0001998200000000, -0.0000144300000000, -0.0000901700000000 ] - [ -0.0004636200000000, -0.0000036900000000, -0.0000978400000000 ] - [ 0.0532797800000000, 0.0000000000000000, 0.0156575100000000 ] - [ -0.0011479900000000, 0.0000000000000000, 0.0004975600000000 ] - [ 0.0011011800000000, -0.0004733600000000, 0.0012485600000000 ] - [ -0.0007458800000000, 0.0001819500000000, 0.0004798700000000 ] - [ 0.0011011800000000, 0.0004733600000000, 0.0012485600000000 ] - [ -0.0007458800000000, -0.0001819500000000, 0.0004798700000000 ] - [ -0.0001503900000000, 0.0002911200000000, -0.0007910200000000 ] - [ 0.0007065200000000, -0.0002541300000000, -0.0000236200000000 ] - [ -0.0001503900000000, -0.0002911200000000, -0.0007910200000000 ] - [ 0.0007065200000000, 0.0002541300000000, -0.0000236200000000 ] - [ -0.0000052500000000, 0.0000000000000000, -0.0006844600000000 ] - [ 0.0007292400000000, 0.0000000000000000, -0.0004369200000000 ] - [ -0.0003264900000000, 0.0000000000000000, -0.0000648000000000 ] - [ -0.0003218700000000, 0.0000000000000000, -0.0019328900000000 ] - [ -0.0003238400000000, -0.0000731700000000, -0.0002320800000000 ] - [ -0.0003228800000000, 0.0002798700000000, -0.0006622300000000 ] - [ -0.0003238400000000, 0.0000731700000000, -0.0002320800000000 ] - [ -0.0003228800000000, -0.0002798700000000, -0.0006622300000000 ] - [ 0.0003489500000000, -0.0000098500000000, 0.0003751800000000 ] - [ 0.0001653600000000, -0.0000366900000000, 0.0004427800000000 ] - [ 0.0003489500000000, 0.0000098500000000, 0.0003751800000000 ] - [ 0.0001653600000000, 0.0000366900000000, 0.0004427800000000 ] - [ 0.0003261000000000, 0.0000000000000000, 0.0003927400000000 ] - [ 0.0001958400000000, 0.0000000000000000, 0.0004469600000000 ] - [ 0.0044983300000000, 0.0000000000000000, -0.0009241100000000 ] - [ -0.0005228400000000, 0.0000000000000000, 0.0005979400000000 ] - [ 0.0022429000000000, -0.0013367800000000, -0.0009761000000000 ] - [ -0.0000729100000000, 0.0000626200000000, 0.0004311700000000 ] - [ 0.0022429000000000, 0.0013367800000000, -0.0009761000000000 ] - [ -0.0000729100000000, -0.0000626200000000, 0.0004311700000000 ] - [ -0.0015168100000000, 0.0003280000000000, -0.0002049900000000 ] - [ -0.0008719600000000, -0.0055004300000000, 0.0045094600000000 ] - [ -0.0015168100000000, -0.0003280000000000, -0.0002049900000000 ] - [ -0.0008719600000000, 0.0055004300000000, 0.0045094600000000 ] - [ -0.0009780800000000, 0.0000000000000000, -0.0001635400000000 ] - [ 0.0001938200000000, 0.0000000000000000, -0.0003050100000000 ] - [ 0.0004925300000000, 0.0000000000000000, -0.0001886600000000 ] - [ 0.0003427900000000, 0.0000000000000000, -0.0005552200000000 ] - [ 0.0004886500000000, -0.0000053800000000, -0.0002059500000000 ] - [ 0.0003627300000000, 0.0001252700000000, -0.0003979300000000 ] - [ 0.0004886500000000, 0.0000053800000000, -0.0002059500000000 ] - [ 0.0003627300000000, -0.0001252700000000, -0.0003979300000000 ] - [ -0.0002857900000000, 0.0000003300000000, 0.0003368700000000 ] - [ -0.0007406000000000, -0.0001014400000000, 0.0000375200000000 ] - [ -0.0002857900000000, -0.0000003300000000, 0.0003368700000000 ] - [ -0.0007406000000000, 0.0001014400000000, 0.0000375200000000 ] - [ -0.0003391500000000, 0.0000000000000000, 0.0003122000000000 ] - [ -0.0005919500000000, 0.0000000000000000, 0.0001583900000000 ] - [ -0.0000268600000000, -0.0000186300000000, -0.0000071800000000 ] - [ 0.0004244700000000, -0.0000312000000000, -0.0001985900000000 ] - [ -0.0000268600000000, 0.0000186300000000, -0.0000071800000000 ] - [ 0.0004244700000000, 0.0000312000000000, -0.0001985900000000 ] - [ 0.0000085600000000, 0.0000000000000000, -0.0000008700000000 ] - [ 0.0003044200000000, 0.0000000000000000, -0.0001193200000000 ] - [ 0.0003392900000000, 0.0000000000000000, -0.0002167000000000 ] - [ -0.0004261000000000, 0.0000000000000000, 0.0000269500000000 ] - [ 0.0001489400000000, 0.0001843100000000, -0.0001210600000000 ] - [ -0.0003481900000000, 0.0000006800000000, 0.0000564500000000 ] - [ 0.0001489400000000, -0.0001843100000000, -0.0001210600000000 ] - [ -0.0003481900000000, -0.0000006800000000, 0.0000564500000000 ] - [ -0.0004914500000000, 0.0003579700000000, -0.0008533000000000 ] - [ -0.0002032700000000, -0.0002995900000000, 0.0002939400000000 ] - [ -0.0004914500000000, -0.0003579700000000, -0.0008533000000000 ] - [ -0.0002032700000000, 0.0002995900000000, 0.0002939400000000 ] - [ 0.0000716500000000, 0.0000000000000000, -0.0002102900000000 ] - [ -0.0000034300000000, 0.0000000000000000, 0.0000270700000000 ] - [ -0.0103506400000000, 0.0000000000000000, -0.0067913300000000 ] - [ -0.0017796500000000, 0.0000000000000000, 0.0010533800000000 ] - [ -0.0010929700000000, -0.0010598200000000, -0.0001253400000000 ] - [ -0.0004487700000000, 0.0003369700000000, 0.0001593000000000 ] - [ -0.0010929700000000, 0.0010598200000000, -0.0001253400000000 ] - [ -0.0004487700000000, -0.0003369700000000, 0.0001593000000000 ] - [ -0.0031889000000000, 0.0000000000000000, 0.0025640900000000 ] - [ 0.0009672500000000, 0.0000000000000000, 0.0005141600000000 ] - [ -0.0008325000000000, 0.0000249800000000, -0.0002496000000000 ] - [ 0.0002693400000000, -0.0001453400000000, 0.0002702000000000 ] - [ -0.0008325000000000, -0.0000249800000000, -0.0002496000000000 ] - [ 0.0002693400000000, 0.0001453400000000, 0.0002702000000000 ] - [ 0.0002280300000000, -0.0000234000000000, 0.0000248900000000 ] - [ 0.0000311600000000, 0.0000446900000000, -0.0001873000000000 ] - [ 0.0002280300000000, 0.0000234000000000, 0.0000248900000000 ] - [ 0.0000311600000000, -0.0000446900000000, -0.0001873000000000 ] - [ 0.0002090700000000, 0.0000000000000000, -0.0000303300000000 ] - [ 0.0000449700000000, 0.0000000000000000, -0.0001487200000000 ] - [ 0.0016319200000000, 0.0000000000000000, -0.0011746600000000 ] - [ -0.0106506900000000, 0.0000000000000000, -0.0048626200000000 ] - [ 0.0004551500000000, 0.0003441300000000, -0.0004779700000000 ] - [ -0.0001647300000000, -0.0009604300000000, -0.0001051900000000 ] - [ 0.0004551500000000, -0.0003441300000000, -0.0004779700000000 ] - [ -0.0001647300000000, 0.0009604300000000, -0.0001051900000000 ] - [ -0.0001818100000000, -0.0000062200000000, 0.0005232700000000 ] - [ 0.0003942500000000, 0.0000326200000000, 0.0001627700000000 ] - [ -0.0001818100000000, 0.0000062200000000, 0.0005232700000000 ] - [ 0.0003942500000000, -0.0000326200000000, 0.0001627700000000 ] - [ -0.0000306900000000, 0.0000000000000000, 0.0004445100000000 ] - [ 0.0002978400000000, 0.0000000000000000, 0.0001995300000000 ] - [ -0.0149999800000000, 0.0079767900000000, -0.0058380000000000 ] - [ 0.0027108000000000, 0.0007132400000000, -0.0006302600000000 ] - [ -0.0149999800000000, -0.0079767900000000, -0.0058380000000000 ] - [ 0.0027108000000000, -0.0007132400000000, -0.0006302600000000 ] - [ -0.0010367400000000, 0.0000000000000000, 0.0001528100000000 ] - [ 0.0011515400000000, 0.0000000000000000, 0.0000769100000000 ] - [ 0.0026619900000000, 0.0000000000000000, 0.0020558200000000 ] - [ 0.0003399100000000, 0.0000000000000000, -0.0056096300000000 ] - [ 0.0010819500000000, 0.0006102700000000, 0.0002318800000000 ] - [ -0.0009204200000000, -0.0015356100000000, -0.0013725400000000 ] - [ 0.0010819500000000, -0.0006102700000000, 0.0002318800000000 ] - [ -0.0009204200000000, 0.0015356100000000, -0.0013725400000000 ] - [ 0.0004254000000000, -0.0000473600000000, -0.0008973300000000 ] - [ 0.0000562400000000, 0.0006788600000000, 0.0011495900000000 ] - [ 0.0004254000000000, 0.0000473600000000, -0.0008973300000000 ] - [ 0.0000562400000000, -0.0006788600000000, 0.0011495900000000 ] - [ 0.0003254700000000, 0.0000000000000000, -0.0007149300000000 ] - [ -0.0000881300000000, 0.0000000000000000, -0.0001216100000000 ] - [ -0.0006618100000000, 0.0000000000000000, 0.0006352300000000 ] - [ 0.0004502900000000, 0.0000000000000000, 0.0007487600000000 ] - [ -0.0005291400000000, -0.0000490800000000, 0.0005836800000000 ] - [ 0.0002981400000000, -0.0001052300000000, 0.0006131800000000 ] - [ -0.0005291400000000, 0.0000490800000000, 0.0005836800000000 ] - [ 0.0002981400000000, 0.0001052300000000, 0.0006131800000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0075510000000000, 0.0039188400000000, 0.0050441000000000 ] - [ 0.0005673900000000, -0.0002544100000000, 0.0001258200000000 ] - [ 0.0082749400000000, 0.0039282600000000, -0.0050766500000000 ] - [ 0.0000737600000000, -0.0002642800000000, -0.0000896000000000 ] - [ 0.0003176800000000, 0.0014810000000000, 0.0000147400000000 ] - [ 0.0003158800000000, 0.0004296300000000, 0.0000192700000000 ] - [ -0.0003154100000000, -0.0005636600000000, -0.0000185300000000 ] - [ -0.0003152200000000, -0.0002254400000000, -0.0000219200000000 ] - [ -0.0002564300000000, 0.0002722900000000, 0.0003847200000000 ] - [ -0.0005458700000000, 0.0001010200000000, 0.0004711500000000 ] - [ -0.0003743400000000, 0.0002719000000000, -0.0004201100000000 ] - [ -0.0000870200000000, 0.0001022600000000, -0.0005098300000000 ] - [ 0.0001260500000000, -0.0001791500000000, 0.0002278300000000 ] - [ 0.0011602900000000, -0.0000672000000000, 0.0018150700000000 ] - [ 0.0005062200000000, -0.0001817800000000, -0.0002714300000000 ] - [ -0.0005254500000000, -0.0000842600000000, -0.0018468000000000 ] - [ 0.0003161400000000, 0.0003632900000000, -0.0000228400000000 ] - [ 0.0003142500000000, 0.0006539100000000, -0.0000232500000000 ] - [ -0.0003159600000000, -0.0002012600000000, 0.0000237000000000 ] - [ -0.0003150800000000, -0.0001014000000000, 0.0000230200000000 ] - [ -0.0003198700000000, 0.0001004400000000, 0.0001404300000000 ] - [ -0.0003080200000000, 0.0000505200000000, 0.0000651200000000 ] - [ -0.0003122100000000, 0.0001012200000000, -0.0000932700000000 ] - [ -0.0003222900000000, 0.0000508900000000, -0.0000189800000000 ] - [ -0.0009052200000000, -0.0645864100000000, -0.0003859600000000 ] - [ -0.0002472900000000, -0.0004676200000000, 0.0004942600000000 ] - [ -0.0007213600000000, 0.0047351400000000, -0.0000015500000000 ] - [ -0.0000664400000000, 0.0002282100000000, 0.0005899500000000 ] - [ 0.0002146500000000, 0.0047107900000000, 0.0009800600000000 ] - [ -0.0004274800000000, 0.0002316500000000, 0.0004003500000000 ] - [ -0.0000416400000000, -0.0003833400000000, -0.0006358600000000 ] - [ 0.0005035200000000, -0.0006383000000000, -0.0011510600000000 ] - [ 0.0005434100000000, -0.0003862400000000, -0.0003518000000000 ] - [ -0.0000078600000000, -0.0006472700000000, 0.0001613700000000 ] - [ 0.0002500400000000, 0.0007595600000000, -0.0004934600000000 ] - [ 0.0002460300000000, 0.0013539400000000, -0.0004939200000000 ] - [ -0.0002536900000000, -0.0004616300000000, -0.0004927500000000 ] - [ -0.0002468600000000, -0.0004616300000000, -0.0004898100000000 ] - [ 0.0000314900000000, 0.0002400100000000, -0.0009365900000000 ] - [ -0.0003204200000000, 0.0002388300000000, -0.0007277700000000 ] - [ -0.0005270600000000, 0.0002419900000000, -0.0000575600000000 ] - [ -0.0001747300000000, 0.0002431200000000, -0.0002640500000000 ] - [ 0.0002574300000000, -0.0000829800000000, 0.0004186100000000 ] - [ 0.0002844500000000, -0.0000562400000000, 0.0004569700000000 ] - [ 0.0002372200000000, -0.0000844100000000, 0.0005776000000000 ] - [ 0.0002112400000000, -0.0000571400000000, 0.0005377200000000 ] - [ 0.0002475700000000, 0.0001649200000000, 0.0004977400000000 ] - [ 0.0002474400000000, 0.0001106700000000, 0.0004976200000000 ] - [ 0.0004439600000000, -0.0065145700000000, 0.0001887000000000 ] - [ 0.0004567500000000, -0.0003890800000000, 0.0002447900000000 ] - [ -0.0014640200000000, 0.0036444100000000, 0.0023696900000000 ] - [ 0.0006091700000000, 0.0001961400000000, 0.0002071000000000 ] - [ 0.0023468200000000, 0.0036253900000000, -0.0018611400000000 ] - [ 0.0003039200000000, 0.0001982800000000, 0.0002831300000000 ] - [ -0.0009501400000000, -0.0004035500000000, -0.0003694700000000 ] - [ 0.0057491100000000, 0.0033386100000000, -0.0064943700000000 ] - [ 0.0000477400000000, -0.0004079300000000, -0.0001261600000000 ] - [ -0.0067314900000000, 0.0033425800000000, 0.0060565500000000 ] - [ -0.0004508000000000, 0.0008434800000000, -0.0002464600000000 ] - [ -0.0004594000000000, 0.0015619400000000, -0.0002446700000000 ] - [ 0.0004536300000000, -0.0001581700000000, -0.0002444200000000 ] - [ 0.0004549200000000, -0.0002528800000000, -0.0002433700000000 ] - [ 0.0004821200000000, 0.0000772000000000, -0.0002865400000000 ] - [ 0.0004075500000000, 0.0001219500000000, -0.0002965500000000 ] - [ 0.0004258500000000, 0.0000785000000000, -0.0002033200000000 ] - [ 0.0005013200000000, 0.0001239300000000, -0.0001928200000000 ] - [ -0.0004718500000000, -0.0001190800000000, 0.0004146200000000 ] - [ -0.0003521500000000, -0.0000604500000000, 0.0003002400000000 ] - [ -0.0004382500000000, -0.0001225700000000, 0.0000816800000000 ] - [ -0.0005535400000000, -0.0000620100000000, 0.0001944800000000 ] - [ -0.0004544300000000, 0.0002331800000000, 0.0002462200000000 ] - [ -0.0004538500000000, 0.0001249100000000, 0.0002465400000000 ] - [ 0.0001081900000000, -0.0000410100000000, 0.0000125300000000 ] - [ 0.0000739700000000, -0.0000816900000000, 0.0000474700000000 ] - [ 0.0001962100000000, -0.0000416400000000, -0.0000297900000000 ] - [ 0.0002280000000000, -0.0000836500000000, -0.0000629800000000 ] - [ 0.0001524100000000, 0.0000815200000000, -0.0000091000000000 ] - [ 0.0001516600000000, 0.0001647800000000, -0.0000085300000000 ] - [ -0.0001507700000000, -0.0003574600000000, 0.0000157100000000 ] - [ -0.0001523000000000, -0.0001622300000000, 0.0000109700000000 ] - [ -0.0002321400000000, 0.0001838700000000, -0.0002469600000000 ] - [ -0.0001353000000000, 0.0000809700000000, -0.0000554900000000 ] - [ -0.0000746100000000, 0.0001871300000000, 0.0002689400000000 ] - [ -0.0001691300000000, 0.0000821400000000, 0.0000757300000000 ] - [ -0.0036015300000000, -0.0013032300000000, -0.0032129300000000 ] - [ 0.0006506500000000, -0.0003879300000000, -0.0002595700000000 ] - [ 0.0039539300000000, -0.0013252000000000, 0.0032772100000000 ] - [ -0.0003482300000000, -0.0003934000000000, 0.0002791600000000 ] - [ 0.0001549100000000, 0.0013056800000000, 0.0000132900000000 ] - [ 0.0001512700000000, 0.0007882100000000, 0.0000100000000000 ] - [ -0.0001880700000000, -0.0059726900000000, -0.0000382000000000 ] - [ -0.0001466600000000, -0.0008921300000000, -0.0000151100000000 ] - [ 0.0032468600000000, 0.0044996200000000, 0.0002253500000000 ] - [ -0.0007694700000000, 0.0004351700000000, -0.0000437800000000 ] - [ -0.0035219700000000, 0.0044703800000000, -0.0002529700000000 ] - [ 0.0004618600000000, 0.0004382700000000, 0.0000214800000000 ] - [ -0.0001213700000000, 0.0027088100000000, 0.0001777300000000 ] - [ -0.0001282700000000, 0.0002249400000000, 0.0001836200000000 ] - [ -0.0000836600000000, -0.0010998900000000, 0.0013823600000000 ] - [ -0.0001142100000000, -0.0001134200000000, 0.0002908300000000 ] - [ -0.0001629200000000, -0.0011052500000000, -0.0010039400000000 ] - [ -0.0001370300000000, -0.0001156600000000, 0.0000796500000000 ] - [ 0.0001781900000000, 0.0000777500000000, -0.0000672900000000 ] - [ 0.0000857600000000, 0.0000894300000000, -0.0000492900000000 ] - [ 0.0000693800000000, 0.0000783500000000, -0.0003047600000000 ] - [ 0.0001633600000000, 0.0000906200000000, -0.0003211700000000 ] - [ 0.0001237200000000, -0.0001565600000000, -0.0001859700000000 ] - [ 0.0001247100000000, -0.0001809100000000, -0.0001856400000000 ] - [ -0.0001185800000000, 0.0015977600000000, -0.0001837900000000 ] - [ -0.0001206700000000, 0.0018602400000000, -0.0001800300000000 ] - [ -0.0009940100000000, -0.0007480100000000, 0.0002526300000000 ] - [ 0.0008433900000000, -0.0009421500000000, 0.0003512600000000 ] - [ 0.0007396000000000, -0.0007499600000000, -0.0006138400000000 ] - [ -0.0010868100000000, -0.0009482400000000, -0.0007129400000000 ] - [ 0.0000764500000000, 0.0002557200000000, 0.0008016700000000 ] - [ 0.0000885700000000, 0.0000930500000000, 0.0002941800000000 ] - [ 0.0001762700000000, 0.0002597900000000, -0.0004385800000000 ] - [ 0.0001588100000000, 0.0000941000000000, 0.0000733600000000 ] - [ 0.0001248300000000, -0.0005104900000000, 0.0001811400000000 ] - [ 0.0001240400000000, -0.0001878000000000, 0.0001833300000000 ] - [ -0.0038529600000000, 0.0209291700000000, -0.0056666800000000 ] - [ -0.0002525000000000, 0.0006738400000000, 0.0003605400000000 ] - [ 0.0047402300000000, 0.0221961700000000, 0.0073585200000000 ] - [ 0.0004716600000000, 0.0006861000000000, 0.0004669600000000 ] - [ 0.0001182900000000, -0.0091732100000000, 0.0004094700000000 ] - [ 0.0001139200000000, -0.0013624400000000, 0.0004106200000000 ] - [ -0.0001224300000000, 0.0034780200000000, -0.0003993600000000 ] - [ -0.0001334900000000, 0.0055980600000000, -0.0003822700000000 ] - [ -0.0022399700000000, -0.0017403200000000, -0.0018619500000000 ] - [ 0.0020651100000000, -0.0027386200000000, -0.0025288400000000 ] - [ 0.0019807200000000, -0.0017365700000000, 0.0010379700000000 ] - [ -0.0022795000000000, -0.0027480700000000, 0.0017103300000000 ] - [ 0.0003171400000000, 0.0003588100000000, -0.0008986900000000 ] - [ -0.0003836900000000, 0.0003979200000000, -0.0013800900000000 ] - [ -0.0000807400000000, 0.0003670300000000, 0.0000835200000000 ] - [ 0.0006106900000000, 0.0004102700000000, 0.0005499700000000 ] - [ 0.0001160100000000, -0.0007240300000000, -0.0004052800000000 ] - [ 0.0001173200000000, -0.0007868000000000, -0.0004065600000000 ] - [ -0.0001144800000000, 0.0005014200000000, 0.0003994600000000 ] - [ -0.0001186900000000, 0.0002998900000000, 0.0004034700000000 ] - [ -0.0001894000000000, -0.0002490500000000, 0.0005260900000000 ] - [ -0.0000857200000000, -0.0001489300000000, 0.0004349500000000 ] - [ -0.0000422200000000, -0.0002534600000000, 0.0002806500000000 ] - [ -0.0001503800000000, -0.0001513600000000, 0.0003739400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0030589300000000, 0.0043367800000000, -0.0033907100000000 ] - [ 0.0011890600000000, 0.0005980900000000, -0.0009472700000000 ] - [ -0.0030589300000000, -0.0043367800000000, -0.0033907100000000 ] - [ 0.0011890600000000, -0.0005980900000000, -0.0009472700000000 ] - [ 0.0004651900000000, 0.0000000000000000, -0.0010617000000000 ] - [ 0.0005268100000000, 0.0000000000000000, -0.0005362600000000 ] - [ -0.0000607400000000, 0.0000000000000000, 0.0005981500000000 ] - [ -0.0007444000000000, 0.0000000000000000, 0.0008541600000000 ] - [ -0.0002243700000000, 0.0001130600000000, 0.0004097700000000 ] - [ -0.0005602300000000, 0.0000602000000000, 0.0004815300000000 ] - [ -0.0002243700000000, -0.0001130600000000, 0.0004097700000000 ] - [ -0.0005602300000000, -0.0000602000000000, 0.0004815300000000 ] - [ 0.0001861700000000, 0.0001675800000000, -0.0001459700000000 ] - [ 0.0016480800000000, 0.0016558000000000, 0.0020742700000000 ] - [ 0.0001861700000000, -0.0001675800000000, -0.0001459700000000 ] - [ 0.0016480800000000, -0.0016558000000000, 0.0020742700000000 ] - [ 0.0002990000000000, 0.0000000000000000, -0.0001834400000000 ] - [ 0.0003668000000000, 0.0000000000000000, -0.0001769600000000 ] - [ -0.0001686900000000, 0.0000000000000000, 0.0010036200000000 ] - [ -0.0001889500000000, 0.0000000000000000, 0.0005518900000000 ] - [ -0.0002209200000000, 0.0000389900000000, 0.0007123800000000 ] - [ -0.0002040700000000, 0.0000044900000000, 0.0004792200000000 ] - [ -0.0002209200000000, -0.0000389900000000, 0.0007123800000000 ] - [ -0.0002040700000000, -0.0000044900000000, 0.0004792200000000 ] - [ -0.0157098000000000, 0.0000000000000000, -0.0628660000000000 ] - [ -0.0002496300000000, 0.0000000000000000, -0.0000851500000000 ] - [ -0.0010002000000000, 0.0004862900000000, -0.0013242900000000 ] - [ -0.0002322000000000, -0.0000948700000000, 0.0000738600000000 ] - [ -0.0010002000000000, -0.0004862900000000, -0.0013242900000000 ] - [ -0.0002322000000000, 0.0000948700000000, 0.0000738600000000 ] - [ 0.0005427400000000, -0.0001415200000000, -0.0002403900000000 ] - [ -0.0002261900000000, -0.0006592100000000, 0.0000581200000000 ] - [ 0.0005427400000000, 0.0001415200000000, -0.0002403900000000 ] - [ -0.0002261900000000, 0.0006592100000000, 0.0000581200000000 ] - [ 0.0004366900000000, 0.0000000000000000, -0.0002571900000000 ] - [ 0.0001889200000000, 0.0000000000000000, -0.0001800700000000 ] - [ -0.0016657500000000, 0.0000000000000000, 0.0003108200000000 ] - [ 0.0001796600000000, 0.0000000000000000, 0.0003139100000000 ] - [ -0.0004126900000000, -0.0002307500000000, -0.0004516400000000 ] - [ 0.0000143700000000, -0.0004376600000000, -0.0004518900000000 ] - [ -0.0004126900000000, 0.0002307500000000, -0.0004516400000000 ] - [ 0.0000143700000000, 0.0004376600000000, -0.0004518900000000 ] - [ 0.0001279600000000, 0.0000786100000000, 0.0010867500000000 ] - [ 0.0001944200000000, 0.0000401000000000, 0.0008967200000000 ] - [ 0.0001279600000000, -0.0000786100000000, 0.0010867500000000 ] - [ 0.0001944200000000, -0.0000401000000000, 0.0008967200000000 ] - [ 0.0001456100000000, 0.0000000000000000, 0.0009122000000000 ] - [ 0.0001983100000000, 0.0000000000000000, 0.0008308500000000 ] - [ 0.0006709600000000, 0.0000000000000000, 0.0178895800000000 ] - [ 0.0007826900000000, 0.0000000000000000, -0.0000499800000000 ] - [ -0.0003355900000000, 0.0012019600000000, 0.0008941400000000 ] - [ 0.0006625600000000, -0.0000109100000000, 0.0000486700000000 ] - [ -0.0003355900000000, -0.0012019600000000, 0.0008941400000000 ] - [ 0.0006625600000000, 0.0000109100000000, 0.0000486700000000 ] - [ 0.0000849700000000, -0.0001068200000000, -0.0006268400000000 ] - [ -0.0037922800000000, -0.0036059600000000, 0.0006817400000000 ] - [ 0.0000849700000000, 0.0001068200000000, -0.0006268400000000 ] - [ -0.0037922800000000, 0.0036059600000000, 0.0006817400000000 ] - [ -0.0000506300000000, 0.0000000000000000, -0.0004854700000000 ] - [ -0.0006728400000000, 0.0000000000000000, -0.0005771400000000 ] - [ 0.0003901800000000, 0.0000000000000000, 0.0001355300000000 ] - [ 0.0007926500000000, 0.0000000000000000, 0.0003295900000000 ] - [ 0.0004512300000000, -0.0001132400000000, 0.0000034000000000 ] - [ 0.0006514800000000, -0.0001965300000000, 0.0001257600000000 ] - [ 0.0004512300000000, 0.0001132400000000, 0.0000034000000000 ] - [ 0.0006514800000000, 0.0001965300000000, 0.0001257600000000 ] - [ -0.0006486700000000, 0.0003337700000000, 0.0009142500000000 ] - [ -0.0000742600000000, 0.0001086500000000, 0.0005650700000000 ] - [ -0.0006486700000000, -0.0003337700000000, 0.0009142500000000 ] - [ -0.0000742600000000, -0.0001086500000000, 0.0005650700000000 ] - [ -0.0004992300000000, 0.0000000000000000, 0.0004378900000000 ] - [ -0.0002839100000000, 0.0000000000000000, 0.0004333100000000 ] - [ 0.0000799600000000, 0.0000424800000000, 0.0003009200000000 ] - [ -0.0000470800000000, 0.0001565400000000, 0.0005834500000000 ] - [ 0.0000799600000000, -0.0000424800000000, 0.0003009200000000 ] - [ -0.0000470800000000, -0.0001565400000000, 0.0005834500000000 ] - [ 0.0001294900000000, 0.0000000000000000, 0.0002147000000000 ] - [ 0.0000734800000000, 0.0000000000000000, 0.0003413400000000 ] - [ 0.0002340900000000, 0.0000000000000000, 0.0014160700000000 ] - [ -0.0003165000000000, 0.0000000000000000, 0.0002359800000000 ] - [ -0.0003191800000000, -0.0003423500000000, 0.0003995700000000 ] - [ -0.0002559400000000, -0.0001071100000000, 0.0001158100000000 ] - [ -0.0003191800000000, 0.0003423500000000, 0.0003995700000000 ] - [ -0.0002559400000000, 0.0001071100000000, 0.0001158100000000 ] - [ 0.0013152300000000, -0.0002904800000000, 0.0007359300000000 ] - [ -0.0005175000000000, -0.0001906700000000, -0.0001717700000000 ] - [ 0.0013152300000000, 0.0002904800000000, 0.0007359300000000 ] - [ -0.0005175000000000, 0.0001906700000000, -0.0001717700000000 ] - [ 0.0003094200000000, 0.0000000000000000, 0.0002014700000000 ] - [ -0.0002200200000000, 0.0000000000000000, -0.0001257800000000 ] - [ 0.0055654700000000, 0.0000000000000000, 0.0004288200000000 ] - [ -0.0005255600000000, 0.0000000000000000, -0.0013028200000000 ] - [ 0.0019629300000000, 0.0020676100000000, -0.0005086300000000 ] - [ -0.0004988000000000, 0.0000330000000000, -0.0005307600000000 ] - [ 0.0019629300000000, -0.0020676100000000, -0.0005086300000000 ] - [ -0.0004988000000000, -0.0000330000000000, -0.0005307600000000 ] - [ -0.0012521900000000, 0.0000000000000000, 0.0059581800000000 ] - [ -0.0005948500000000, 0.0000000000000000, 0.0002432400000000 ] - [ 0.0001585700000000, 0.0010092500000000, 0.0003527000000000 ] - [ -0.0002436200000000, 0.0001439700000000, 0.0003767000000000 ] - [ 0.0001585700000000, -0.0010092500000000, 0.0003527000000000 ] - [ -0.0002436200000000, -0.0001439700000000, 0.0003767000000000 ] - [ 0.0000287900000000, 0.0000202200000000, -0.0006929400000000 ] - [ 0.0001626600000000, 0.0000370200000000, -0.0008622200000000 ] - [ 0.0000287900000000, -0.0000202200000000, -0.0006929400000000 ] - [ 0.0001626600000000, -0.0000370200000000, -0.0008622200000000 ] - [ 0.0000626200000000, 0.0000000000000000, -0.0006007400000000 ] - [ 0.0001335400000000, 0.0000000000000000, -0.0006754500000000 ] - [ 0.0008079100000000, 0.0000000000000000, 0.0008098800000000 ] - [ 0.0028261500000000, 0.0000000000000000, 0.0031603700000000 ] - [ -0.0000577500000000, 0.0002765600000000, 0.0004544500000000 ] - [ -0.0003507600000000, 0.0006894100000000, 0.0006259900000000 ] - [ -0.0000577500000000, -0.0002765600000000, 0.0004544500000000 ] - [ -0.0003507600000000, -0.0006894100000000, 0.0006259900000000 ] - [ -0.0000144300000000, 0.0003447000000000, -0.0008593400000000 ] - [ 0.0002200400000000, 0.0000378600000000, -0.0001483000000000 ] - [ -0.0000144300000000, -0.0003447000000000, -0.0008593400000000 ] - [ 0.0002200400000000, -0.0000378600000000, -0.0001483000000000 ] - [ 0.0001080100000000, 0.0000000000000000, -0.0003373000000000 ] - [ 0.0001836500000000, 0.0000000000000000, -0.0001039300000000 ] - [ 0.0061950500000000, -0.0112898600000000, 0.0207032400000000 ] - [ -0.0001669100000000, -0.0001972200000000, 0.0021980400000000 ] - [ 0.0061950500000000, 0.0112898600000000, 0.0207032400000000 ] - [ -0.0001669100000000, 0.0001972200000000, 0.0021980400000000 ] - [ 0.0004581500000000, 0.0000000000000000, 0.0021665700000000 ] - [ 0.0000298700000000, 0.0000000000000000, 0.0014902900000000 ] - [ -0.0024026700000000, 0.0000000000000000, -0.0011332600000000 ] - [ 0.0055788200000000, 0.0000000000000000, -0.0022178400000000 ] - [ -0.0013740500000000, -0.0004790400000000, -0.0008831200000000 ] - [ 0.0012753300000000, -0.0010713600000000, -0.0007517500000000 ] - [ -0.0013740500000000, 0.0004790400000000, -0.0008831200000000 ] - [ 0.0012753300000000, 0.0010713600000000, -0.0007517500000000 ] - [ 0.0008522000000000, -0.0006983800000000, -0.0011668700000000 ] - [ -0.0010358500000000, -0.0010414800000000, -0.0027745700000000 ] - [ 0.0008522000000000, 0.0006983800000000, -0.0011668700000000 ] - [ -0.0010358500000000, 0.0010414800000000, -0.0027745700000000 ] - [ 0.0003240200000000, 0.0000000000000000, -0.0006573300000000 ] - [ -0.0000446000000000, 0.0000000000000000, -0.0009436500000000 ] - [ 0.0002081500000000, 0.0000000000000000, -0.0019812000000000 ] - [ -0.0004366300000000, 0.0000000000000000, -0.0007433600000000 ] - [ 0.0000088300000000, 0.0003430900000000, -0.0009267300000000 ] - [ -0.0003344900000000, 0.0001491100000000, -0.0004896400000000 ] - [ 0.0000088300000000, -0.0003430900000000, -0.0009267300000000 ] - [ -0.0003344900000000, -0.0001491100000000, -0.0004896400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0036887700000000, -0.0043312800000000, 0.0034728600000000 ] - [ -0.0005594200000000, -0.0005994700000000, 0.0009956800000000 ] - [ 0.0036887700000000, 0.0043312800000000, 0.0034728600000000 ] - [ -0.0005594200000000, 0.0005994700000000, 0.0009956800000000 ] - [ 0.0001657500000000, 0.0000000000000000, 0.0011075700000000 ] - [ 0.0001039600000000, 0.0000000000000000, 0.0005819500000000 ] - [ -0.0005674800000000, 0.0000000000000000, -0.0006434700000000 ] - [ 0.0001123200000000, 0.0000000000000000, -0.0008973200000000 ] - [ -0.0004062000000000, -0.0001130900000000, -0.0004537300000000 ] - [ -0.0000705700000000, -0.0000596400000000, -0.0005263700000000 ] - [ -0.0004062000000000, 0.0001130900000000, -0.0004537300000000 ] - [ -0.0000705700000000, 0.0000596400000000, -0.0005263700000000 ] - [ 0.0004463700000000, -0.0001685500000000, 0.0001094200000000 ] - [ -0.0010300000000000, -0.0016698300000000, -0.0021228900000000 ] - [ 0.0004463700000000, 0.0001685500000000, 0.0001094200000000 ] - [ -0.0010300000000000, 0.0016698300000000, -0.0021228900000000 ] - [ 0.0003321500000000, 0.0000000000000000, 0.0001442400000000 ] - [ 0.0002649200000000, 0.0000000000000000, 0.0001387500000000 ] - [ -0.0004645200000000, 0.0000000000000000, -0.0009600400000000 ] - [ -0.0004432800000000, 0.0000000000000000, -0.0005111400000000 ] - [ -0.0004116100000000, -0.0000382500000000, -0.0006719000000000 ] - [ -0.0004280000000000, -0.0000043100000000, -0.0004378900000000 ] - [ -0.0004116100000000, 0.0000382500000000, -0.0006719000000000 ] - [ -0.0004280000000000, 0.0000043100000000, -0.0004378900000000 ] - [ 0.0146538000000000, 0.0000000000000000, 0.0633835800000000 ] - [ -0.0002476600000000, 0.0000000000000000, 0.0010801200000000 ] - [ 0.0005032100000000, -0.0004962300000000, 0.0023208600000000 ] - [ -0.0002646000000000, 0.0000945300000000, 0.0009207900000000 ] - [ 0.0005032100000000, 0.0004962300000000, 0.0023208600000000 ] - [ -0.0002646000000000, -0.0000945300000000, 0.0009207900000000 ] - [ -0.0000476500000000, 0.0001432100000000, -0.0007529200000000 ] - [ 0.0007185700000000, 0.0006540300000000, -0.0010532200000000 ] - [ -0.0000476500000000, -0.0001432100000000, -0.0007529200000000 ] - [ 0.0007185700000000, -0.0006540300000000, -0.0010532200000000 ] - [ 0.0000595300000000, 0.0000000000000000, -0.0007341300000000 ] - [ 0.0003071700000000, 0.0000000000000000, -0.0008136200000000 ] - [ 0.0011876800000000, 0.0000000000000000, -0.0013066600000000 ] - [ -0.0006794400000000, 0.0000000000000000, -0.0013036700000000 ] - [ -0.0000825900000000, 0.0002324800000000, -0.0005372000000000 ] - [ -0.0005127400000000, 0.0004407200000000, -0.0005376600000000 ] - [ -0.0000825900000000, -0.0002324800000000, -0.0005372000000000 ] - [ -0.0005127400000000, -0.0004407200000000, -0.0005376600000000 ] - [ 0.0003692100000000, -0.0000800400000000, -0.0000958200000000 ] - [ 0.0003008600000000, -0.0000405700000000, 0.0000952000000000 ] - [ 0.0003692100000000, 0.0000800400000000, -0.0000958200000000 ] - [ 0.0003008600000000, 0.0000405700000000, 0.0000952000000000 ] - [ 0.0003516900000000, 0.0000000000000000, 0.0000789100000000 ] - [ 0.0002969800000000, 0.0000000000000000, 0.0001615400000000 ] - [ 0.0002683800000000, 0.0000000000000000, -0.0169301100000000 ] - [ 0.0001247000000000, 0.0000000000000000, 0.0005434800000000 ] - [ 0.0012489700000000, -0.0012138600000000, -0.0004074900000000 ] - [ 0.0002457500000000, 0.0000104600000000, 0.0004445000000000 ] - [ 0.0012489700000000, 0.0012138600000000, -0.0004074900000000 ] - [ 0.0002457500000000, -0.0000104600000000, 0.0004445000000000 ] - [ -0.0009962000000000, 0.0001086000000000, 0.0001362200000000 ] - [ 0.0028724600000000, 0.0035855100000000, -0.0011897600000000 ] - [ -0.0009962000000000, -0.0001086000000000, 0.0001362200000000 ] - [ 0.0028724600000000, -0.0035855100000000, -0.0011897600000000 ] - [ -0.0008582700000000, 0.0000000000000000, -0.0000046500000000 ] - [ -0.0002342200000000, 0.0000000000000000, 0.0000868300000000 ] - [ 0.0005201400000000, 0.0000000000000000, -0.0006277200000000 ] - [ 0.0001118700000000, 0.0000000000000000, -0.0008223200000000 ] - [ 0.0004578700000000, 0.0001146700000000, -0.0004941900000000 ] - [ 0.0002549700000000, 0.0001980800000000, -0.0006179300000000 ] - [ 0.0004578700000000, -0.0001146700000000, -0.0004941900000000 ] - [ 0.0002549700000000, -0.0001980800000000, -0.0006179300000000 ] - [ -0.0002564800000000, -0.0003385900000000, -0.0004262900000000 ] - [ -0.0008365500000000, -0.0001092400000000, -0.0000729500000000 ] - [ -0.0002564800000000, 0.0003385900000000, -0.0004262900000000 ] - [ -0.0008365500000000, 0.0001092400000000, -0.0000729500000000 ] - [ -0.0004080700000000, 0.0000000000000000, 0.0000558200000000 ] - [ -0.0006255000000000, 0.0000000000000000, 0.0000592800000000 ] - [ 0.0002250800000000, -0.0000429700000000, -0.0003204000000000 ] - [ 0.0003513300000000, -0.0001586700000000, -0.0006045400000000 ] - [ 0.0002250800000000, 0.0000429700000000, -0.0003204000000000 ] - [ 0.0003513300000000, 0.0001586700000000, -0.0006045400000000 ] - [ 0.0001747600000000, 0.0000000000000000, -0.0002338700000000 ] - [ 0.0002303800000000, 0.0000000000000000, -0.0003604900000000 ] - [ -0.0005475800000000, 0.0000000000000000, -0.0014077000000000 ] - [ 0.0000141300000000, 0.0000000000000000, -0.0002153800000000 ] - [ 0.0000152200000000, 0.0003451100000000, -0.0003791300000000 ] - [ -0.0000477500000000, 0.0001081800000000, -0.0000945600000000 ] - [ 0.0000152200000000, -0.0003451100000000, -0.0003791300000000 ] - [ -0.0000477500000000, -0.0001081800000000, -0.0000945600000000 ] - [ -0.0010215700000000, 0.0002873500000000, -0.0007293600000000 ] - [ 0.0008239000000000, 0.0001901100000000, 0.0001912500000000 ] - [ -0.0010215700000000, -0.0002873500000000, -0.0007293600000000 ] - [ 0.0008239000000000, -0.0001901100000000, 0.0001912500000000 ] - [ -0.0000062500000000, 0.0000000000000000, -0.0001810900000000 ] - [ 0.0005263000000000, 0.0000000000000000, 0.0001464400000000 ] - [ -0.0058669500000000, 0.0000000000000000, -0.0004774800000000 ] - [ 0.0002252400000000, 0.0000000000000000, 0.0012842100000000 ] - [ -0.0022591100000000, -0.0020595600000000, 0.0004925700000000 ] - [ 0.0001952800000000, -0.0000338400000000, 0.0005138100000000 ] - [ -0.0022591100000000, 0.0020595600000000, 0.0004925700000000 ] - [ 0.0001952800000000, 0.0000338400000000, 0.0005138100000000 ] - [ 0.0011563900000000, 0.0000000000000000, -0.0060980600000000 ] - [ 0.0003472000000000, 0.0000000000000000, 0.0001243600000000 ] - [ -0.0004105800000000, -0.0010143700000000, 0.0000113700000000 ] - [ -0.0000047800000000, -0.0001443900000000, -0.0000088800000000 ] - [ -0.0004105800000000, 0.0010143700000000, 0.0000113700000000 ] - [ -0.0000047800000000, 0.0001443900000000, -0.0000088800000000 ] - [ 0.0002193800000000, -0.0000200000000000, 0.0003283800000000 ] - [ 0.0000874000000000, -0.0000362700000000, 0.0004975500000000 ] - [ 0.0002193800000000, 0.0000200000000000, 0.0003283800000000 ] - [ 0.0000874000000000, 0.0000362700000000, 0.0004975500000000 ] - [ 0.0001859700000000, 0.0000000000000000, 0.0002356200000000 ] - [ 0.0001158500000000, 0.0000000000000000, 0.0003110400000000 ] - [ -0.0010533100000000, 0.0000000000000000, -0.0011883200000000 ] - [ -0.0031816000000000, 0.0000000000000000, -0.0035552600000000 ] - [ -0.0001896700000000, -0.0002751800000000, -0.0008243200000000 ] - [ 0.0001008900000000, -0.0006896300000000, -0.0009996700000000 ] - [ -0.0001896700000000, 0.0002751800000000, -0.0008243200000000 ] - [ 0.0001008900000000, 0.0006896300000000, -0.0009996700000000 ] - [ 0.0002610400000000, -0.0003412300000000, 0.0012299800000000 ] - [ 0.0000290200000000, -0.0000377600000000, 0.0005204000000000 ] - [ 0.0002610400000000, 0.0003412300000000, 0.0012299800000000 ] - [ 0.0000290200000000, 0.0000377600000000, 0.0005204000000000 ] - [ 0.0001410600000000, 0.0000000000000000, 0.0007107300000000 ] - [ 0.0000649600000000, 0.0000000000000000, 0.0004756500000000 ] - [ -0.0057037600000000, 0.0107429500000000, -0.0197060700000000 ] - [ 0.0003991000000000, 0.0001954700000000, -0.0013877100000000 ] - [ -0.0057037600000000, -0.0107429500000000, -0.0197060700000000 ] - [ 0.0003991000000000, -0.0001954700000000, -0.0013877100000000 ] - [ -0.0002184200000000, 0.0000000000000000, -0.0013545100000000 ] - [ 0.0002023600000000, 0.0000000000000000, -0.0006783300000000 ] - [ 0.0021775100000000, 0.0000000000000000, 0.0003350900000000 ] - [ -0.0057969700000000, 0.0000000000000000, 0.0014391400000000 ] - [ 0.0011432900000000, 0.0004831800000000, 0.0000737300000000 ] - [ -0.0015155200000000, 0.0010755700000000, -0.0000496600000000 ] - [ 0.0011432900000000, -0.0004831800000000, 0.0000737300000000 ] - [ -0.0015155200000000, -0.0010755700000000, -0.0000496600000000 ] - [ -0.0006285100000000, 0.0007059500000000, 0.0003563200000000 ] - [ 0.0012809600000000, 0.0010499000000000, 0.0019724900000000 ] - [ -0.0006285100000000, -0.0007059500000000, 0.0003563200000000 ] - [ 0.0012809600000000, -0.0010499000000000, 0.0019724900000000 ] - [ -0.0000930300000000, 0.0000000000000000, -0.0001566700000000 ] - [ 0.0002793600000000, 0.0000000000000000, 0.0001312800000000 ] - [ -0.0004449400000000, 0.0000000000000000, 0.0028123900000000 ] - [ 0.0002055200000000, 0.0000000000000000, 0.0015628400000000 ] - [ -0.0002430300000000, -0.0003480200000000, 0.0017468500000000 ] - [ 0.0001027500000000, -0.0001505000000000, 0.0013078900000000 ] - [ -0.0002430300000000, 0.0003480200000000, 0.0017468500000000 ] - [ 0.0001027500000000, 0.0001505000000000, 0.0013078900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007917900000000, -0.0000837800000000, -0.0016093300000000 ] - [ 0.0005366300000000, 0.0001762300000000, 0.0004592200000000 ] - [ 0.0007917900000000, 0.0000837800000000, -0.0016093300000000 ] - [ 0.0005366300000000, -0.0001762300000000, 0.0004592200000000 ] - [ 0.0003178500000000, 0.0000000000000000, -0.0001577600000000 ] - [ 0.0004007500000000, 0.0000000000000000, 0.0002033700000000 ] - [ 0.0005173500000000, 0.0000000000000000, 0.0014829800000000 ] - [ 0.0013199300000000, 0.0000000000000000, -0.0053487600000000 ] - [ -0.0003056700000000, 0.0003172000000000, 0.0005001400000000 ] - [ 0.0000799900000000, -0.0005262800000000, -0.0005185500000000 ] - [ -0.0003056700000000, -0.0003172000000000, 0.0005001400000000 ] - [ 0.0000799900000000, 0.0005262800000000, -0.0005185500000000 ] - [ 0.0005633600000000, -0.0000724900000000, -0.0002433400000000 ] - [ -0.0000060000000000, 0.0000334600000000, -0.0000766000000000 ] - [ 0.0005633600000000, 0.0000724900000000, -0.0002433400000000 ] - [ -0.0000060000000000, -0.0000334600000000, -0.0000766000000000 ] - [ 0.0004837200000000, 0.0000000000000000, -0.0001447500000000 ] - [ 0.0000552500000000, 0.0000000000000000, -0.0001453600000000 ] - [ -0.0010761400000000, 0.0000000000000000, -0.0002326700000000 ] - [ 0.0001659300000000, 0.0000000000000000, -0.0000907800000000 ] - [ -0.0007794500000000, -0.0000190700000000, -0.0001187300000000 ] - [ -0.0000063300000000, -0.0000438600000000, -0.0000396300000000 ] - [ -0.0007794500000000, 0.0000190700000000, -0.0001187300000000 ] - [ -0.0000063300000000, 0.0000438600000000, -0.0000396300000000 ] - [ -0.0042822500000000, 0.0000000000000000, 0.0007580900000000 ] - [ 0.0007238200000000, 0.0000000000000000, 0.0008219100000000 ] - [ -0.0020309100000000, 0.0019010500000000, -0.0002951800000000 ] - [ 0.0002752900000000, -0.0001507600000000, 0.0007022400000000 ] - [ -0.0020309100000000, -0.0019010500000000, -0.0002951800000000 ] - [ 0.0002752900000000, 0.0001507600000000, 0.0007022400000000 ] - [ 0.0013054600000000, -0.0004997800000000, 0.0000437300000000 ] - [ 0.0006894700000000, 0.0062081200000000, -0.0038107300000000 ] - [ 0.0013054600000000, 0.0004997800000000, 0.0000437300000000 ] - [ 0.0006894700000000, -0.0062081200000000, -0.0038107300000000 ] - [ 0.0007679400000000, 0.0000000000000000, -0.0000923400000000 ] - [ -0.0003951200000000, 0.0000000000000000, -0.0007151700000000 ] - [ -0.0001387300000000, 0.0000000000000000, -0.0008350100000000 ] - [ -0.0002859100000000, 0.0000000000000000, -0.0004308300000000 ] - [ -0.0001577900000000, 0.0000466600000000, -0.0006934500000000 ] - [ -0.0002822700000000, -0.0000283400000000, -0.0004925400000000 ] - [ -0.0001577900000000, -0.0000466600000000, -0.0006934500000000 ] - [ -0.0002822700000000, 0.0000283400000000, -0.0004925400000000 ] - [ 0.0000792800000000, -0.0000165900000000, 0.0006915700000000 ] - [ 0.0005327600000000, 0.0000999700000000, 0.0001171900000000 ] - [ 0.0000792800000000, 0.0000165900000000, 0.0006915700000000 ] - [ 0.0005327600000000, -0.0000999700000000, 0.0001171900000000 ] - [ 0.0001329700000000, 0.0000000000000000, 0.0005418600000000 ] - [ 0.0003849500000000, 0.0000000000000000, 0.0003262700000000 ] - [ -0.0605137100000000, 0.0000000000000000, 0.0087340100000000 ] - [ 0.0024296400000000, 0.0000000000000000, 0.0000127900000000 ] - [ -0.0013970800000000, 0.0003753500000000, 0.0011012700000000 ] - [ 0.0015076700000000, -0.0001565200000000, 0.0000979700000000 ] - [ -0.0013970800000000, -0.0003753500000000, 0.0011012700000000 ] - [ 0.0015076700000000, 0.0001565200000000, 0.0000979700000000 ] - [ 0.0011741200000000, -0.0004859700000000, -0.0005991400000000 ] - [ 0.0005553000000000, 0.0076570800000000, 0.0043950200000000 ] - [ 0.0011741200000000, 0.0004859700000000, -0.0005991400000000 ] - [ 0.0005553000000000, -0.0076570800000000, 0.0043950200000000 ] - [ 0.0002450100000000, 0.0000000000000000, -0.0005106400000000 ] - [ -0.0014697800000000, 0.0000000000000000, 0.0004454900000000 ] - [ 0.0004301500000000, 0.0000000000000000, -0.0002703200000000 ] - [ 0.0004314300000000, 0.0000000000000000, -0.0004682200000000 ] - [ 0.0004325300000000, 0.0000223800000000, -0.0002782800000000 ] - [ 0.0004335000000000, -0.0000448600000000, -0.0003932200000000 ] - [ 0.0004325300000000, -0.0000223800000000, -0.0002782800000000 ] - [ 0.0004335000000000, 0.0000448600000000, -0.0003932200000000 ] - [ -0.0005481200000000, -0.0000088400000000, 0.0001282500000000 ] - [ -0.0004136900000000, 0.0000250200000000, 0.0001604900000000 ] - [ -0.0005481200000000, 0.0000088400000000, 0.0001282500000000 ] - [ -0.0004136900000000, -0.0000250200000000, 0.0001604900000000 ] - [ -0.0005190600000000, 0.0000000000000000, 0.0001446900000000 ] - [ -0.0004342600000000, 0.0000000000000000, 0.0001803400000000 ] - [ 0.0003961100000000, 0.0000174100000000, -0.0000777500000000 ] - [ -0.0000663900000000, 0.0000119100000000, -0.0001775600000000 ] - [ 0.0003961100000000, -0.0000174100000000, -0.0000777500000000 ] - [ -0.0000663900000000, -0.0000119100000000, -0.0001775600000000 ] - [ 0.0003418500000000, 0.0000000000000000, -0.0000710500000000 ] - [ 0.0000174900000000, 0.0000000000000000, -0.0001016900000000 ] - [ -0.0003100000000000, 0.0000000000000000, -0.0000931800000000 ] - [ 0.0000629600000000, 0.0000000000000000, -0.0001119700000000 ] - [ -0.0002840500000000, -0.0000207100000000, -0.0000788600000000 ] - [ 0.0000252500000000, 0.0000147200000000, -0.0000889200000000 ] - [ -0.0002840500000000, 0.0000207100000000, -0.0000788600000000 ] - [ 0.0000252500000000, -0.0000147200000000, -0.0000889200000000 ] - [ 0.0048127100000000, -0.0047186200000000, 0.0006998300000000 ] - [ 0.0024277600000000, 0.0032511900000000, 0.0007760100000000 ] - [ 0.0048127100000000, 0.0047186200000000, 0.0006998300000000 ] - [ 0.0024277600000000, -0.0032511900000000, 0.0007760100000000 ] - [ 0.0000023100000000, 0.0000000000000000, 0.0001890700000000 ] - [ 0.0007332300000000, 0.0000000000000000, 0.0002008000000000 ] - [ 0.0101621300000000, 0.0000000000000000, -0.0070727900000000 ] - [ 0.0028816600000000, 0.0000000000000000, 0.0029734200000000 ] - [ 0.0002827500000000, 0.0010001300000000, -0.0000130300000000 ] - [ 0.0004986200000000, -0.0005423000000000, 0.0005244200000000 ] - [ 0.0002827500000000, -0.0010001300000000, -0.0000130300000000 ] - [ 0.0004986200000000, 0.0005423000000000, 0.0005244200000000 ] - [ 0.0002851300000000, 0.0000000000000000, 0.0006772000000000 ] - [ -0.0004319000000000, 0.0000000000000000, 0.0000641100000000 ] - [ 0.0001037400000000, -0.0000966700000000, 0.0005707600000000 ] - [ -0.0003200300000000, 0.0000230000000000, 0.0001080900000000 ] - [ 0.0001037400000000, 0.0000966700000000, 0.0005707600000000 ] - [ -0.0003200300000000, -0.0000230000000000, 0.0001080900000000 ] - [ -0.0002234500000000, 0.0001202000000000, -0.0005733000000000 ] - [ 0.0004639100000000, -0.0003649300000000, 0.0008376800000000 ] - [ -0.0002234500000000, -0.0001202000000000, -0.0005733000000000 ] - [ 0.0004639100000000, 0.0003649300000000, 0.0008376800000000 ] - [ -0.0000535600000000, 0.0000000000000000, -0.0003880200000000 ] - [ 0.0003040700000000, 0.0000000000000000, 0.0001562900000000 ] - [ -0.0009574900000000, 0.0000000000000000, 0.0007182700000000 ] - [ 0.0002508300000000, 0.0000000000000000, -0.0011596300000000 ] - [ -0.0005490000000000, -0.0002117600000000, 0.0001032300000000 ] - [ 0.0002083700000000, 0.0002336000000000, -0.0005683300000000 ] - [ -0.0005490000000000, 0.0002117600000000, 0.0001032300000000 ] - [ 0.0002083700000000, -0.0002336000000000, -0.0005683300000000 ] - [ 0.0016986100000000, 0.0007707800000000, -0.0011530000000000 ] - [ -0.0010259600000000, -0.0003735900000000, 0.0005803900000000 ] - [ 0.0016986100000000, -0.0007707800000000, -0.0011530000000000 ] - [ -0.0010259600000000, 0.0003735900000000, 0.0005803900000000 ] - [ 0.0006430900000000, 0.0000000000000000, 0.0000144000000000 ] - [ -0.0003875300000000, 0.0000000000000000, 0.0002808600000000 ] - [ 0.0109739700000000, 0.0037692800000000, 0.0017784200000000 ] - [ -0.0037373900000000, -0.0009939700000000, -0.0007874500000000 ] - [ 0.0109739700000000, -0.0037692800000000, 0.0017784200000000 ] - [ -0.0037373900000000, 0.0009939700000000, -0.0007874500000000 ] - [ 0.0015521600000000, 0.0000000000000000, -0.0004199200000000 ] - [ -0.0014890400000000, 0.0000000000000000, 0.0000890200000000 ] - [ -0.0084693800000000, 0.0000000000000000, -0.0024477700000000 ] - [ 0.0214390300000000, 0.0000000000000000, -0.0012001500000000 ] - [ -0.0024129600000000, -0.0019345900000000, -0.0008460600000000 ] - [ 0.0005147700000000, 0.0041895500000000, -0.0009799600000000 ] - [ -0.0024129600000000, 0.0019345900000000, -0.0008460600000000 ] - [ 0.0005147700000000, -0.0041895500000000, -0.0009799600000000 ] - [ -0.0001563000000000, 0.0000797600000000, 0.0000151500000000 ] - [ 0.0003882300000000, -0.0000799900000000, -0.0001269700000000 ] - [ -0.0001563000000000, -0.0000797600000000, 0.0000151500000000 ] - [ 0.0003882300000000, 0.0000799900000000, -0.0001269700000000 ] - [ -0.0001125500000000, 0.0000000000000000, -0.0001098900000000 ] - [ 0.0003686300000000, 0.0000000000000000, -0.0001548300000000 ] - [ 0.0005020200000000, 0.0000000000000000, 0.0006049500000000 ] - [ -0.0007043400000000, 0.0000000000000000, 0.0009587800000000 ] - [ 0.0003334500000000, -0.0000312900000000, 0.0005908400000000 ] - [ -0.0005438500000000, 0.0001264900000000, 0.0007552500000000 ] - [ 0.0003334500000000, 0.0000312900000000, 0.0005908400000000 ] - [ -0.0005438500000000, -0.0001264900000000, 0.0007552500000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001779400000000, 0.0000800900000000, 0.0016811400000000 ] - [ 0.0000973600000000, -0.0001783500000000, -0.0004245600000000 ] - [ -0.0001779400000000, -0.0000800900000000, 0.0016811400000000 ] - [ 0.0000973600000000, 0.0001783500000000, -0.0004245600000000 ] - [ 0.0003131700000000, 0.0000000000000000, 0.0002010400000000 ] - [ 0.0002325900000000, 0.0000000000000000, -0.0001649000000000 ] - [ -0.0011530600000000, 0.0000000000000000, -0.0015186900000000 ] - [ -0.0019638600000000, 0.0000000000000000, 0.0054021200000000 ] - [ -0.0003281300000000, -0.0003179200000000, -0.0005424800000000 ] - [ -0.0007087300000000, 0.0005310800000000, 0.0004774200000000 ] - [ -0.0003281300000000, 0.0003179200000000, -0.0005424800000000 ] - [ -0.0007087300000000, -0.0005310800000000, 0.0004774200000000 ] - [ 0.0000660300000000, 0.0000721000000000, 0.0002007500000000 ] - [ 0.0006430900000000, -0.0000319200000000, 0.0000388000000000 ] - [ 0.0000660300000000, -0.0000721000000000, 0.0002007500000000 ] - [ 0.0006430900000000, 0.0000319200000000, 0.0000388000000000 ] - [ 0.0001458800000000, 0.0000000000000000, 0.0001016300000000 ] - [ 0.0005793100000000, 0.0000000000000000, 0.0001040000000000 ] - [ 0.0004510100000000, 0.0000000000000000, 0.0002718200000000 ] - [ -0.0008003700000000, 0.0000000000000000, 0.0001378800000000 ] - [ 0.0001519100000000, 0.0000187400000000, 0.0001609500000000 ] - [ -0.0006262700000000, 0.0000451800000000, 0.0000849700000000 ] - [ 0.0001519100000000, -0.0000187400000000, 0.0001609500000000 ] - [ -0.0006262700000000, -0.0000451800000000, 0.0000849700000000 ] - [ 0.0038052400000000, 0.0000000000000000, 0.0003562700000000 ] - [ -0.0012266800000000, 0.0000000000000000, 0.0001639100000000 ] - [ 0.0015442100000000, -0.0019090500000000, 0.0012891400000000 ] - [ -0.0007753900000000, 0.0001548200000000, 0.0002854100000000 ] - [ 0.0015442100000000, 0.0019090500000000, 0.0012891400000000 ] - [ -0.0007753900000000, -0.0001548200000000, 0.0002854100000000 ] - [ -0.0008141100000000, 0.0004975900000000, -0.0010367400000000 ] - [ -0.0001536400000000, -0.0062727900000000, 0.0028537200000000 ] - [ -0.0008141100000000, -0.0004975900000000, -0.0010367400000000 ] - [ -0.0001536400000000, 0.0062727900000000, 0.0028537200000000 ] - [ -0.0002735200000000, 0.0000000000000000, -0.0008991200000000 ] - [ 0.0008975800000000, 0.0000000000000000, -0.0002767600000000 ] - [ -0.0003600600000000, 0.0000000000000000, -0.0001544500000000 ] - [ -0.0002075800000000, 0.0000000000000000, -0.0005615500000000 ] - [ -0.0003391300000000, -0.0000470600000000, -0.0002970500000000 ] - [ -0.0002121300000000, 0.0000281900000000, -0.0004996900000000 ] - [ -0.0003391300000000, 0.0000470600000000, -0.0002970500000000 ] - [ -0.0002121300000000, -0.0000281900000000, -0.0004996900000000 ] - [ 0.0004170300000000, 0.0000169400000000, 0.0002993000000000 ] - [ -0.0000383400000000, -0.0001017000000000, 0.0008801700000000 ] - [ 0.0004170300000000, -0.0000169400000000, 0.0002993000000000 ] - [ -0.0000383400000000, 0.0001017000000000, 0.0008801700000000 ] - [ 0.0003639100000000, 0.0000000000000000, 0.0004503500000000 ] - [ 0.0001106100000000, 0.0000000000000000, 0.0006682300000000 ] - [ 0.0630028400000000, 0.0000000000000000, -0.0083165100000000 ] - [ -0.0015322600000000, 0.0000000000000000, 0.0004780100000000 ] - [ 0.0023193500000000, -0.0003886200000000, -0.0006169600000000 ] - [ -0.0006048700000000, 0.0001607700000000, 0.0003940900000000 ] - [ 0.0023193500000000, 0.0003886200000000, -0.0006169600000000 ] - [ -0.0006048700000000, -0.0001607700000000, 0.0003940900000000 ] - [ -0.0020899300000000, 0.0004828500000000, 0.0001073000000000 ] - [ -0.0014491000000000, -0.0077452600000000, -0.0049481800000000 ] - [ -0.0020899300000000, -0.0004828500000000, 0.0001073000000000 ] - [ -0.0014491000000000, 0.0077452600000000, -0.0049481800000000 ] - [ -0.0011591800000000, 0.0000000000000000, 0.0000173800000000 ] - [ 0.0005705000000000, 0.0000000000000000, -0.0009418200000000 ] - [ 0.0004777800000000, 0.0000000000000000, -0.0002207200000000 ] - [ 0.0004787100000000, 0.0000000000000000, -0.0000204400000000 ] - [ 0.0004757300000000, -0.0000224800000000, -0.0002126300000000 ] - [ 0.0004763400000000, 0.0000452100000000, -0.0000971300000000 ] - [ 0.0004757300000000, 0.0000224800000000, -0.0002126300000000 ] - [ 0.0004763400000000, -0.0000452100000000, -0.0000971300000000 ] - [ -0.0003594600000000, 0.0000093200000000, 0.0003651100000000 ] - [ -0.0004931200000000, -0.0000253500000000, 0.0003326800000000 ] - [ -0.0003594600000000, -0.0000093200000000, 0.0003651100000000 ] - [ -0.0004931200000000, 0.0000253500000000, 0.0003326800000000 ] - [ -0.0003884900000000, 0.0000000000000000, 0.0003484700000000 ] - [ -0.0004728800000000, 0.0000000000000000, 0.0003123700000000 ] - [ -0.0000933200000000, -0.0000179100000000, 0.0000602300000000 ] - [ 0.0003728900000000, -0.0000115300000000, 0.0001596000000000 ] - [ -0.0000933200000000, 0.0000179100000000, 0.0000602300000000 ] - [ 0.0003728900000000, 0.0000115300000000, 0.0001596000000000 ] - [ -0.0000387700000000, 0.0000000000000000, 0.0000526900000000 ] - [ 0.0002883800000000, 0.0000000000000000, 0.0000832700000000 ] - [ 0.0000082000000000, 0.0000000000000000, 0.0001148300000000 ] - [ -0.0003690200000000, 0.0000000000000000, 0.0001326700000000 ] - [ -0.0000185000000000, 0.0000205200000000, 0.0000998800000000 ] - [ -0.0003309200000000, -0.0000145900000000, 0.0001091500000000 ] - [ -0.0000185000000000, -0.0000205200000000, 0.0000998800000000 ] - [ -0.0003309200000000, 0.0000145900000000, 0.0001091500000000 ] - [ -0.0044780800000000, 0.0046531400000000, -0.0006824800000000 ] - [ -0.0021440300000000, -0.0033110800000000, -0.0007674900000000 ] - [ -0.0044780800000000, -0.0046531400000000, -0.0006824800000000 ] - [ -0.0021440300000000, 0.0033110800000000, -0.0007674900000000 ] - [ 0.0002981300000000, 0.0000000000000000, -0.0001739900000000 ] - [ -0.0004272700000000, 0.0000000000000000, -0.0001822900000000 ] - [ -0.0102946000000000, 0.0000000000000000, 0.0068847000000000 ] - [ -0.0032181700000000, 0.0000000000000000, -0.0030425600000000 ] - [ -0.0006067500000000, -0.0010175500000000, -0.0000148100000000 ] - [ -0.0008018600000000, 0.0005485500000000, -0.0005488300000000 ] - [ -0.0006067500000000, 0.0010175500000000, -0.0000148100000000 ] - [ -0.0008018600000000, -0.0005485500000000, -0.0005488300000000 ] - [ -0.0005336100000000, 0.0000000000000000, -0.0003198800000000 ] - [ 0.0001843800000000, 0.0000000000000000, 0.0003071800000000 ] - [ -0.0003536600000000, 0.0000991800000000, -0.0002068200000000 ] - [ 0.0000727300000000, -0.0000234600000000, 0.0002619800000000 ] - [ -0.0003536600000000, -0.0000991800000000, -0.0002068200000000 ] - [ 0.0000727300000000, 0.0000234600000000, 0.0002619800000000 ] - [ 0.0004765500000000, -0.0001197900000000, 0.0002038700000000 ] - [ -0.0002216200000000, 0.0003694000000000, -0.0012139300000000 ] - [ 0.0004765500000000, 0.0001197900000000, 0.0002038700000000 ] - [ -0.0002216200000000, -0.0003694000000000, -0.0012139300000000 ] - [ 0.0003050000000000, 0.0000000000000000, 0.0000190200000000 ] - [ -0.0000567900000000, 0.0000000000000000, -0.0005272400000000 ] - [ 0.0007175600000000, 0.0000000000000000, -0.0010842400000000 ] - [ -0.0005154300000000, 0.0000000000000000, 0.0007949100000000 ] - [ 0.0003068000000000, 0.0002128900000000, -0.0004728500000000 ] - [ -0.0004623000000000, -0.0002335700000000, 0.0002016000000000 ] - [ 0.0003068000000000, -0.0002128900000000, -0.0004728500000000 ] - [ -0.0004623000000000, 0.0002335700000000, 0.0002016000000000 ] - [ -0.0014421300000000, -0.0007842200000000, 0.0015425700000000 ] - [ 0.0012855800000000, 0.0003807600000000, -0.0002195000000000 ] - [ -0.0014421300000000, 0.0007842200000000, 0.0015425700000000 ] - [ 0.0012855800000000, -0.0003807600000000, -0.0002195000000000 ] - [ -0.0003946600000000, 0.0000000000000000, 0.0003563200000000 ] - [ 0.0006390800000000, 0.0000000000000000, 0.0000858900000000 ] - [ -0.0106751600000000, -0.0039239700000000, -0.0010674200000000 ] - [ 0.0039987800000000, 0.0010147400000000, 0.0016242500000000 ] - [ -0.0106751600000000, 0.0039239700000000, -0.0010674200000000 ] - [ 0.0039987800000000, -0.0010147400000000, 0.0016242500000000 ] - [ -0.0013238600000000, 0.0000000000000000, 0.0012375900000000 ] - [ 0.0017285800000000, 0.0000000000000000, 0.0007298900000000 ] - [ 0.0082397400000000, 0.0000000000000000, 0.0016259500000000 ] - [ -0.0236877600000000, 0.0000000000000000, 0.0006740400000000 ] - [ 0.0021987300000000, 0.0019297800000000, 0.0000387400000000 ] - [ -0.0007797100000000, -0.0042127600000000, 0.0001753500000000 ] - [ 0.0021987300000000, -0.0019297800000000, 0.0000387400000000 ] - [ -0.0007797100000000, 0.0042127600000000, 0.0001753500000000 ] - [ 0.0003952100000000, -0.0000803500000000, -0.0008328300000000 ] - [ -0.0001602800000000, 0.0000797700000000, -0.0006928500000000 ] - [ 0.0003952100000000, 0.0000803500000000, -0.0008328300000000 ] - [ -0.0001602800000000, -0.0000797700000000, -0.0006928500000000 ] - [ 0.0003497900000000, 0.0000000000000000, -0.0007067500000000 ] - [ -0.0001385600000000, 0.0000000000000000, -0.0006621200000000 ] - [ -0.0007363200000000, 0.0000000000000000, 0.0002066500000000 ] - [ 0.0004749200000000, 0.0000000000000000, -0.0001555100000000 ] - [ -0.0005679600000000, 0.0000322600000000, 0.0002201600000000 ] - [ 0.0003131600000000, -0.0001285500000000, 0.0000521100000000 ] - [ -0.0005679600000000, -0.0000322600000000, 0.0002201600000000 ] - [ 0.0003131600000000, 0.0001285500000000, 0.0000521100000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0017641600000000, -0.0012751100000000, 0.0043860300000000 ] - [ 0.0004771600000000, -0.0001429300000000, 0.0001688700000000 ] - [ 0.0024226800000000, -0.0012936200000000, -0.0044023400000000 ] - [ 0.0001534400000000, -0.0001454000000000, -0.0001232300000000 ] - [ 0.0003173000000000, 0.0008273600000000, 0.0000180900000000 ] - [ 0.0003152600000000, 0.0002860500000000, 0.0000210700000000 ] - [ -0.0003207100000000, -0.0009449900000000, -0.0000213100000000 ] - [ -0.0003096000000000, -0.0006120000000000, -0.0000410000000000 ] - [ -0.0000418900000000, 0.0004487800000000, 0.0003122200000000 ] - [ -0.0008826800000000, 0.0004506600000000, 0.0005392700000000 ] - [ -0.0005901100000000, 0.0004504200000000, -0.0003501800000000 ] - [ 0.0002504900000000, 0.0004539400000000, -0.0005806500000000 ] - [ 0.0002311000000000, -0.0000924700000000, 0.0000992100000000 ] - [ 0.0004467000000000, -0.0001611000000000, 0.0002727800000000 ] - [ 0.0004025800000000, -0.0000927900000000, -0.0001440100000000 ] - [ 0.0001819500000000, -0.0001627200000000, -0.0003168300000000 ] - [ 0.0003162900000000, 0.0001839900000000, -0.0000228300000000 ] - [ 0.0003141300000000, 0.0003229600000000, -0.0000234200000000 ] - [ -0.0003173400000000, -0.0005792500000000, 0.0000156000000000 ] - [ -0.0003151400000000, -0.0001379000000000, 0.0000196500000000 ] - [ -0.0002964300000000, 0.0002935300000000, 0.0004366800000000 ] - [ -0.0003065800000000, 0.0000681000000000, 0.0000932600000000 ] - [ -0.0003366200000000, 0.0002957300000000, -0.0003965400000000 ] - [ -0.0003239700000000, 0.0000691000000000, -0.0000519300000000 ] - [ -0.0002567900000000, -0.0065165000000000, 0.0005446700000000 ] - [ -0.0002458900000000, -0.0003908800000000, 0.0004973200000000 ] - [ -0.0015959500000000, 0.0036429900000000, -0.0007152400000000 ] - [ -0.0001849500000000, 0.0001941100000000, 0.0005074200000000 ] - [ 0.0010818100000000, 0.0036233400000000, 0.0017000500000000 ] - [ -0.0003085500000000, 0.0001968100000000, 0.0004860500000000 ] - [ -0.0000793200000000, -0.0004027700000000, -0.0006015400000000 ] - [ 0.0056924000000000, 0.0033431400000000, -0.0040642800000000 ] - [ 0.0005797600000000, -0.0004063400000000, -0.0003866600000000 ] - [ -0.0052593700000000, 0.0033403800000000, 0.0031266500000000 ] - [ 0.0002498600000000, 0.0008447500000000, -0.0004940400000000 ] - [ 0.0002460800000000, 0.0015632100000000, -0.0004949400000000 ] - [ -0.0002470900000000, -0.0002517200000000, -0.0004978700000000 ] - [ -0.0002480500000000, -0.0001570100000000, -0.0004963600000000 ] - [ -0.0001218400000000, 0.0001243400000000, -0.0006954900000000 ] - [ -0.0002534200000000, 0.0000787400000000, -0.0006108800000000 ] - [ -0.0003720300000000, 0.0001240400000000, -0.0003003200000000 ] - [ -0.0002430800000000, 0.0000793800000000, -0.0003826600000000 ] - [ 0.0002481300000000, -0.0001218400000000, 0.0001585000000000 ] - [ 0.0003496000000000, -0.0000624000000000, 0.0003855300000000 ] - [ 0.0002475700000000, -0.0001234000000000, 0.0008311600000000 ] - [ 0.0001477600000000, -0.0000636400000000, 0.0006035000000000 ] - [ 0.0002480500000000, 0.0002315000000000, 0.0004956600000000 ] - [ 0.0002478900000000, 0.0001232200000000, 0.0004957200000000 ] - [ 0.0003242400000000, -0.0460022600000000, 0.0007080700000000 ] - [ 0.0004574100000000, -0.0003601200000000, 0.0002465500000000 ] - [ 0.0000656000000000, 0.0028315500000000, 0.0005328100000000 ] - [ 0.0006150300000000, 0.0001726700000000, 0.0001770500000000 ] - [ 0.0008301800000000, 0.0028173200000000, -0.0000303700000000 ] - [ 0.0002980300000000, 0.0001754600000000, 0.0003151200000000 ] - [ -0.0009360300000000, -0.0003388900000000, -0.0001698800000000 ] - [ 0.0071878600000000, 0.0050638700000000, 0.0031167100000000 ] - [ 0.0000330600000000, -0.0003427500000000, -0.0003221500000000 ] - [ -0.0082140700000000, 0.0050957100000000, -0.0036585400000000 ] - [ -0.0004517800000000, 0.0006916600000000, -0.0002456200000000 ] - [ -0.0004590700000000, 0.0015769200000000, -0.0002431300000000 ] - [ 0.0004537100000000, -0.0001321700000000, -0.0002469200000000 ] - [ 0.0004537000000000, -0.0001321800000000, -0.0002469100000000 ] - [ 0.0004988900000000, 0.0000642900000000, -0.0002292000000000 ] - [ 0.0004312900000000, 0.0000641500000000, -0.0002183800000000 ] - [ 0.0004090300000000, 0.0000646400000000, -0.0002639300000000 ] - [ 0.0004762300000000, 0.0000647600000000, -0.0002752900000000 ] - [ -0.0004635200000000, -0.0000838400000000, 0.0002753100000000 ] - [ -0.0004291400000000, -0.0000410600000000, 0.0002532700000000 ] - [ -0.0004452700000000, -0.0000845800000000, 0.0002136000000000 ] - [ -0.0004792700000000, -0.0000415900000000, 0.0002369900000000 ] - [ -0.0004542700000000, 0.0001699800000000, 0.0002448500000000 ] - [ -0.0004543800000000, 0.0000836600000000, 0.0002451700000000 ] - [ 0.0001220600000000, -0.0000377800000000, -0.0000298000000000 ] - [ 0.0001171300000000, -0.0000859500000000, -0.0000975500000000 ] - [ 0.0001838000000000, -0.0000381800000000, 0.0000083400000000 ] - [ 0.0001867800000000, -0.0000870600000000, 0.0000750700000000 ] - [ 0.0001528700000000, 0.0000740500000000, -0.0000106200000000 ] - [ 0.0001522000000000, 0.0001713700000000, -0.0000105400000000 ] - [ -0.0001522800000000, -0.0001384700000000, 0.0000086900000000 ] - [ -0.0001512100000000, -0.0000949000000000, 0.0000090900000000 ] - [ -0.0002247400000000, 0.0000690200000000, -0.0000504200000000 ] - [ -0.0001492400000000, 0.0000473100000000, -0.0000137200000000 ] - [ -0.0000801900000000, 0.0000695600000000, 0.0000681700000000 ] - [ -0.0001536100000000, 0.0000474300000000, 0.0000317900000000 ] - [ -0.0055479100000000, 0.0016764100000000, -0.0010252000000000 ] - [ 0.0005818000000000, -0.0009534100000000, -0.0000561500000000 ] - [ 0.0059083200000000, 0.0016812800000000, 0.0010637900000000 ] - [ -0.0002665500000000, -0.0009799400000000, 0.0000827300000000 ] - [ 0.0001548400000000, 0.0011268000000000, 0.0000131200000000 ] - [ 0.0001527200000000, 0.0009866100000000, 0.0000106400000000 ] - [ -0.0001721700000000, -0.0046052300000000, 0.0000094600000000 ] - [ -0.0001416700000000, -0.0007334200000000, 0.0000032400000000 ] - [ 0.0015369800000000, 0.0024760300000000, 0.0004809700000000 ] - [ -0.0008948300000000, 0.0004433900000000, -0.0001890900000000 ] - [ -0.0018241100000000, 0.0024624600000000, -0.0004906600000000 ] - [ 0.0005880400000000, 0.0004462800000000, 0.0001722000000000 ] - [ -0.0001217200000000, 0.0006964500000000, 0.0001855700000000 ] - [ -0.0001253600000000, 0.0001365200000000, 0.0001838900000000 ] - [ -0.0000487600000000, -0.0003581400000000, 0.0007507200000000 ] - [ -0.0001144300000000, -0.0000685300000000, 0.0002612400000000 ] - [ -0.0001978400000000, -0.0003569400000000, -0.0003752300000000 ] - [ -0.0001354600000000, -0.0000690600000000, 0.0001076500000000 ] - [ 0.0002755500000000, 0.0001049000000000, -0.0000086900000000 ] - [ -0.0000754600000000, 0.0001853500000000, 0.0004078600000000 ] - [ -0.0000266000000000, 0.0001064200000000, -0.0003593900000000 ] - [ 0.0003246200000000, 0.0001903100000000, -0.0007702300000000 ] - [ 0.0001240600000000, -0.0002116600000000, -0.0001847400000000 ] - [ 0.0001248900000000, -0.0003673400000000, -0.0001840700000000 ] - [ -0.0001277200000000, 0.0007411700000000, -0.0001848800000000 ] - [ -0.0001245400000000, 0.0007297000000000, -0.0001872800000000 ] - [ -0.0005713000000000, -0.0003804500000000, 0.0001184800000000 ] - [ 0.0002588400000000, -0.0003685200000000, 0.0003165200000000 ] - [ 0.0003154900000000, -0.0003788700000000, -0.0004843400000000 ] - [ -0.0005031200000000, -0.0003698800000000, -0.0006839900000000 ] - [ 0.0008478300000000, 0.0000002700000000, 0.0023808600000000 ] - [ -0.0000135800000000, 0.0001325100000000, 0.0002969000000000 ] - [ -0.0005885200000000, 0.0000233800000000, -0.0020030000000000 ] - [ 0.0002571800000000, 0.0001365100000000, 0.0000738600000000 ] - [ 0.0001250900000000, -0.0007651700000000, 0.0001820800000000 ] - [ 0.0001238100000000, -0.0002684300000000, 0.0001839600000000 ] - [ 0.0012091300000000, 0.0096595700000000, -0.0013811200000000 ] - [ -0.0003005200000000, 0.0006032000000000, 0.0002078700000000 ] - [ -0.0007242200000000, 0.0102917000000000, 0.0017014200000000 ] - [ 0.0005177800000000, 0.0006163800000000, 0.0005938200000000 ] - [ 0.0001175000000000, -0.0065589800000000, 0.0004033100000000 ] - [ 0.0001143300000000, -0.0012300100000000, 0.0004051100000000 ] - [ -0.0001101500000000, 0.0041938600000000, -0.0004099900000000 ] - [ -0.0001377200000000, 0.0135505600000000, -0.0004041000000000 ] - [ -0.0021149800000000, -0.0020532100000000, -0.0010761400000000 ] - [ 0.0028382700000000, -0.0045687400000000, -0.0011731300000000 ] - [ 0.0018656200000000, -0.0020549700000000, 0.0002499700000000 ] - [ -0.0030517900000000, -0.0045871400000000, 0.0003432200000000 ] - [ 0.0002242100000000, 0.0002026700000000, -0.0005915300000000 ] - [ -0.0000135500000000, 0.0001925100000000, -0.0005479300000000 ] - [ 0.0000064200000000, 0.0002034900000000, -0.0002145900000000 ] - [ 0.0002487800000000, 0.0001944800000000, -0.0002603600000000 ] - [ 0.0001153900000000, -0.0004086000000000, -0.0004036200000000 ] - [ 0.0001180600000000, -0.0003875700000000, -0.0004037800000000 ] - [ -0.0001144800000000, 0.0006125500000000, 0.0004121800000000 ] - [ -0.0001178000000000, 0.0002934200000000, 0.0004100600000000 ] - [ -0.0002016200000000, -0.0003066200000000, 0.0001145700000000 ] - [ -0.0000883400000000, -0.0001463300000000, 0.0003251300000000 ] - [ -0.0000298000000000, -0.0003091200000000, 0.0007043200000000 ] - [ -0.0001464000000000, -0.0001482900000000, 0.0004924200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007396100000000, 0.0002302900000000, 0.0016978300000000 ] - [ 0.0006018500000000, 0.0000376600000000, -0.0002537000000000 ] - [ -0.0007396100000000, -0.0002302900000000, 0.0016978300000000 ] - [ 0.0006018500000000, -0.0000376600000000, -0.0002537000000000 ] - [ 0.0001518600000000, 0.0000000000000000, 0.0001407500000000 ] - [ 0.0004653400000000, 0.0000000000000000, -0.0001318400000000 ] - [ 0.0015366500000000, 0.0000000000000000, -0.0003343900000000 ] - [ -0.0013371300000000, 0.0000000000000000, 0.0002411600000000 ] - [ 0.0001792500000000, 0.0003423900000000, -0.0005067000000000 ] - [ -0.0006466800000000, 0.0004964900000000, -0.0001568900000000 ] - [ 0.0001792500000000, -0.0003423900000000, -0.0005067000000000 ] - [ -0.0006466800000000, -0.0004964900000000, -0.0001568900000000 ] - [ 0.0001997200000000, 0.0000627500000000, 0.0003489200000000 ] - [ 0.0007513700000000, 0.0002092200000000, 0.0008014700000000 ] - [ 0.0001997200000000, -0.0000627500000000, 0.0003489200000000 ] - [ 0.0007513700000000, -0.0002092200000000, 0.0008014700000000 ] - [ 0.0002571900000000, 0.0000000000000000, 0.0002612800000000 ] - [ 0.0005584000000000, 0.0000000000000000, 0.0004353200000000 ] - [ -0.0001181500000000, 0.0000000000000000, 0.0019037200000000 ] - [ -0.0002777300000000, 0.0000000000000000, 0.0002849400000000 ] - [ -0.0002367500000000, 0.0003806800000000, 0.0006721300000000 ] - [ -0.0002966200000000, 0.0000657300000000, 0.0001989100000000 ] - [ -0.0002367500000000, -0.0003806800000000, 0.0006721300000000 ] - [ -0.0002966200000000, -0.0000657300000000, 0.0001989100000000 ] - [ 0.0008561000000000, 0.0000000000000000, 0.0176720500000000 ] - [ -0.0005981500000000, 0.0000000000000000, 0.0001994500000000 ] - [ 0.0009711400000000, -0.0021143500000000, 0.0011445200000000 ] - [ -0.0004317100000000, 0.0000373200000000, 0.0002982100000000 ] - [ 0.0009711400000000, 0.0021143500000000, 0.0011445200000000 ] - [ -0.0004317100000000, -0.0000373200000000, 0.0002982100000000 ] - [ 0.0002081500000000, -0.0001212500000000, -0.0008795500000000 ] - [ -0.0045123200000000, -0.0062987900000000, 0.0004321400000000 ] - [ 0.0002081500000000, 0.0001212500000000, -0.0008795500000000 ] - [ -0.0045123200000000, 0.0062987900000000, 0.0004321400000000 ] - [ 0.0001666200000000, 0.0000000000000000, -0.0007377300000000 ] - [ 0.0003053800000000, 0.0000000000000000, -0.0008305800000000 ] - [ -0.0005552900000000, 0.0000000000000000, 0.0000793100000000 ] - [ -0.0001914800000000, 0.0000000000000000, -0.0001153200000000 ] - [ -0.0003991800000000, -0.0000517600000000, -0.0001248400000000 ] - [ -0.0002086000000000, -0.0000414200000000, -0.0002478100000000 ] - [ -0.0003991800000000, 0.0000517600000000, -0.0001248400000000 ] - [ -0.0002086000000000, 0.0000414200000000, -0.0002478100000000 ] - [ 0.0003384600000000, -0.0001670300000000, 0.0011671300000000 ] - [ 0.0000405400000000, -0.0000526300000000, 0.0008137100000000 ] - [ 0.0003384600000000, 0.0001670300000000, 0.0011671300000000 ] - [ 0.0000405400000000, 0.0000526300000000, 0.0008137100000000 ] - [ 0.0003143500000000, 0.0000000000000000, 0.0006861700000000 ] - [ 0.0001606100000000, 0.0000000000000000, 0.0006821700000000 ] - [ 0.0088306200000000, 0.0000000000000000, -0.0488816500000000 ] - [ 0.0002232700000000, 0.0000000000000000, -0.0000309700000000 ] - [ 0.0013115700000000, -0.0002838500000000, -0.0014837100000000 ] - [ 0.0003072400000000, 0.0000682900000000, 0.0000264300000000 ] - [ 0.0013115700000000, 0.0002838500000000, -0.0014837100000000 ] - [ 0.0003072400000000, -0.0000682900000000, 0.0000264300000000 ] - [ -0.0008072500000000, 0.0000767900000000, -0.0006800800000000 ] - [ 0.0042152100000000, 0.0033915300000000, -0.0019273400000000 ] - [ -0.0008072500000000, -0.0000767900000000, -0.0006800800000000 ] - [ 0.0042152100000000, -0.0033915300000000, -0.0019273400000000 ] - [ -0.0007173900000000, 0.0000000000000000, -0.0005209600000000 ] - [ 0.0002381300000000, 0.0000000000000000, -0.0010507700000000 ] - [ 0.0006789700000000, 0.0000000000000000, 0.0001362600000000 ] - [ 0.0004780100000000, 0.0000000000000000, 0.0001356800000000 ] - [ 0.0006027400000000, 0.0000286300000000, 0.0000373700000000 ] - [ 0.0004864800000000, 0.0000174600000000, 0.0000367000000000 ] - [ 0.0006027400000000, -0.0000286300000000, 0.0000373700000000 ] - [ 0.0004864800000000, -0.0000174600000000, 0.0000367000000000 ] - [ -0.0003350700000000, -0.0000312300000000, 0.0007424100000000 ] - [ -0.0003683300000000, -0.0000080500000000, 0.0004764800000000 ] - [ -0.0003350700000000, 0.0000312300000000, 0.0007424100000000 ] - [ -0.0003683300000000, 0.0000080500000000, 0.0004764800000000 ] - [ -0.0003518000000000, 0.0000000000000000, 0.0005824700000000 ] - [ -0.0003882700000000, 0.0000000000000000, 0.0004365400000000 ] - [ 0.0000712700000000, -0.0000227400000000, 0.0002330600000000 ] - [ 0.0000136900000000, -0.0001033900000000, 0.0005133300000000 ] - [ 0.0000712700000000, 0.0000227400000000, 0.0002330600000000 ] - [ 0.0000136900000000, 0.0001033900000000, 0.0005133300000000 ] - [ 0.0000673400000000, 0.0000000000000000, 0.0001708700000000 ] - [ 0.0000278200000000, 0.0000000000000000, 0.0003109600000000 ] - [ -0.0002230600000000, 0.0000000000000000, 0.0006057200000000 ] - [ -0.0002789700000000, 0.0000000000000000, 0.0002662900000000 ] - [ -0.0002293300000000, -0.0000150900000000, 0.0004073100000000 ] - [ -0.0002593000000000, -0.0000089900000000, 0.0002195400000000 ] - [ -0.0002293300000000, 0.0000150900000000, 0.0004073100000000 ] - [ -0.0002593000000000, 0.0000089900000000, 0.0002195400000000 ] - [ 0.0008880500000000, -0.0012123500000000, -0.0025816100000000 ] - [ -0.0006847000000000, -0.0010822800000000, -0.0007271100000000 ] - [ 0.0008880500000000, 0.0012123500000000, -0.0025816100000000 ] - [ -0.0006847000000000, 0.0010822800000000, -0.0007271100000000 ] - [ -0.0001072500000000, 0.0000000000000000, -0.0006854800000000 ] - [ -0.0001335700000000, 0.0000000000000000, -0.0002736300000000 ] - [ -0.0075832300000000, 0.0000000000000000, 0.0007419900000000 ] - [ -0.0008812300000000, 0.0000000000000000, -0.0019119000000000 ] - [ -0.0018897500000000, -0.0014470000000000, -0.0010144800000000 ] - [ -0.0001371500000000, -0.0000259600000000, -0.0004763800000000 ] - [ -0.0018897500000000, 0.0014470000000000, -0.0010144800000000 ] - [ -0.0001371500000000, 0.0000259600000000, -0.0004763800000000 ] - [ -0.0000609600000000, 0.0000000000000000, -0.0012862200000000 ] - [ -0.0001136700000000, 0.0000000000000000, 0.0000536400000000 ] - [ -0.0001774800000000, 0.0002515800000000, -0.0004669300000000 ] - [ -0.0001007400000000, 0.0000220700000000, 0.0000748400000000 ] - [ -0.0001774800000000, -0.0002515800000000, -0.0004669300000000 ] - [ -0.0001007400000000, -0.0000220700000000, 0.0000748400000000 ] - [ -0.0001675100000000, 0.0001447300000000, -0.0004010100000000 ] - [ 0.0005632000000000, 0.0003429200000000, -0.0010908000000000 ] - [ -0.0001675100000000, -0.0001447300000000, -0.0004010100000000 ] - [ 0.0005632000000000, -0.0003429200000000, -0.0010908000000000 ] - [ 0.0000576700000000, 0.0000000000000000, -0.0002440100000000 ] - [ 0.0002093100000000, 0.0000000000000000, -0.0003712500000000 ] - [ 0.0007594100000000, 0.0000000000000000, -0.0006201900000000 ] - [ -0.0014734500000000, 0.0000000000000000, -0.0006041000000000 ] - [ 0.0003542700000000, 0.0001987200000000, -0.0003836600000000 ] - [ -0.0005740100000000, 0.0001812900000000, -0.0003010800000000 ] - [ 0.0003542700000000, -0.0001987200000000, -0.0003836600000000 ] - [ -0.0005740100000000, -0.0001812900000000, -0.0003010800000000 ] - [ -0.0013108000000000, 0.0022317800000000, -0.0016176800000000 ] - [ 0.0005067200000000, 0.0001490400000000, 0.0001295700000000 ] - [ -0.0013108000000000, -0.0022317800000000, -0.0016176800000000 ] - [ 0.0005067200000000, -0.0001490400000000, 0.0001295700000000 ] - [ -0.0000297200000000, 0.0000000000000000, 0.0004451800000000 ] - [ 0.0002922000000000, 0.0000000000000000, 0.0002287700000000 ] - [ -0.0012201100000000, 0.0006709000000000, 0.0130176600000000 ] - [ 0.0007716600000000, 0.0003031300000000, 0.0015928700000000 ] - [ -0.0012201100000000, -0.0006709000000000, 0.0130176600000000 ] - [ 0.0007716600000000, -0.0003031300000000, 0.0015928700000000 ] - [ -0.0001356300000000, 0.0000000000000000, 0.0022592700000000 ] - [ 0.0003961900000000, 0.0000000000000000, 0.0010990500000000 ] - [ -0.0006506600000000, 0.0000000000000000, 0.0034471400000000 ] - [ 0.0041106100000000, 0.0000000000000000, 0.0103607600000000 ] - [ 0.0002964500000000, -0.0004087200000000, 0.0013097000000000 ] - [ -0.0001077800000000, -0.0018876100000000, 0.0030083300000000 ] - [ 0.0002964500000000, 0.0004087200000000, 0.0013097000000000 ] - [ -0.0001077800000000, 0.0018876100000000, 0.0030083300000000 ] - [ 0.0002094300000000, -0.0000717000000000, -0.0014787300000000 ] - [ -0.0000699500000000, -0.0000623600000000, -0.0017413200000000 ] - [ 0.0002094300000000, 0.0000717000000000, -0.0014787300000000 ] - [ -0.0000699500000000, 0.0000623600000000, -0.0017413200000000 ] - [ 0.0001731500000000, 0.0000000000000000, -0.0012101600000000 ] - [ 0.0000093000000000, 0.0000000000000000, -0.0013290500000000 ] - [ -0.0004926700000000, 0.0000000000000000, -0.0018004400000000 ] - [ 0.0000115800000000, 0.0000000000000000, -0.0004127500000000 ] - [ -0.0002772800000000, -0.0003040500000000, -0.0008683600000000 ] - [ -0.0000187300000000, -0.0001003400000000, -0.0002325800000000 ] - [ -0.0002772800000000, 0.0003040500000000, -0.0008683600000000 ] - [ -0.0000187300000000, 0.0001003400000000, -0.0002325800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0013672900000000, -0.0002347700000000, -0.0016445600000000 ] - [ 0.0000283400000000, -0.0000377500000000, 0.0002997300000000 ] - [ 0.0013672900000000, 0.0002347700000000, -0.0016445600000000 ] - [ 0.0000283400000000, 0.0000377500000000, 0.0002997300000000 ] - [ 0.0004798800000000, 0.0000000000000000, -0.0000995600000000 ] - [ 0.0001658200000000, 0.0000000000000000, 0.0001747800000000 ] - [ -0.0021552000000000, 0.0000000000000000, 0.0002874000000000 ] - [ 0.0007037300000000, 0.0000000000000000, -0.0003125500000000 ] - [ -0.0008071100000000, -0.0003409600000000, 0.0004604800000000 ] - [ 0.0000145400000000, -0.0004967800000000, 0.0001107300000000 ] - [ -0.0008071100000000, 0.0003409600000000, 0.0004604800000000 ] - [ 0.0000145400000000, 0.0004967800000000, 0.0001107300000000 ] - [ 0.0004325600000000, -0.0000627900000000, -0.0003903700000000 ] - [ -0.0001219200000000, -0.0002111000000000, -0.0008449600000000 ] - [ 0.0004325600000000, 0.0000627900000000, -0.0003903700000000 ] - [ -0.0001219200000000, 0.0002111000000000, -0.0008449600000000 ] - [ 0.0003743900000000, 0.0000000000000000, -0.0003043100000000 ] - [ 0.0000720700000000, 0.0000000000000000, -0.0004776900000000 ] - [ -0.0005151500000000, 0.0000000000000000, -0.0018497200000000 ] - [ -0.0003526100000000, 0.0000000000000000, -0.0002444600000000 ] - [ -0.0003969500000000, -0.0003785000000000, -0.0006288500000000 ] - [ -0.0003342400000000, -0.0000657600000000, -0.0001577100000000 ] - [ -0.0003969500000000, 0.0003785000000000, -0.0006288500000000 ] - [ -0.0003342400000000, 0.0000657600000000, -0.0001577100000000 ] - [ -0.0013915800000000, 0.0000000000000000, -0.0171461600000000 ] - [ 0.0001031600000000, 0.0000000000000000, 0.0007941000000000 ] - [ -0.0014761500000000, 0.0021171500000000, -0.0001557900000000 ] - [ -0.0000636300000000, -0.0000383700000000, 0.0006949300000000 ] - [ -0.0014761500000000, -0.0021171500000000, -0.0001557900000000 ] - [ -0.0000636300000000, 0.0000383700000000, 0.0006949300000000 ] - [ 0.0002888400000000, 0.0001214700000000, -0.0001148900000000 ] - [ 0.0049592700000000, 0.0062509300000000, -0.0014368400000000 ] - [ 0.0002888400000000, -0.0001214700000000, -0.0001148900000000 ] - [ 0.0049592700000000, -0.0062509300000000, -0.0014368400000000 ] - [ 0.0003308600000000, 0.0000000000000000, -0.0002553300000000 ] - [ 0.0001885200000000, 0.0000000000000000, -0.0001646300000000 ] - [ 0.0000613100000000, 0.0000000000000000, -0.0010719200000000 ] - [ -0.0003055700000000, 0.0000000000000000, -0.0008775700000000 ] - [ -0.0000961100000000, 0.0000520700000000, -0.0008676200000000 ] - [ -0.0002884500000000, 0.0000419900000000, -0.0007440800000000 ] - [ -0.0000961100000000, -0.0000520700000000, -0.0008676200000000 ] - [ -0.0002884500000000, -0.0000419900000000, -0.0007440800000000 ] - [ 0.0001584300000000, 0.0001656700000000, -0.0001719000000000 ] - [ 0.0004548000000000, 0.0000528300000000, 0.0001773500000000 ] - [ 0.0001584300000000, -0.0001656700000000, -0.0001719000000000 ] - [ 0.0004548000000000, -0.0000528300000000, 0.0001773500000000 ] - [ 0.0001825400000000, 0.0000000000000000, 0.0003055100000000 ] - [ 0.0003345000000000, 0.0000000000000000, 0.0003097900000000 ] - [ -0.0082089300000000, 0.0000000000000000, 0.0503599700000000 ] - [ 0.0006885300000000, 0.0000000000000000, 0.0005226300000000 ] - [ -0.0004067600000000, 0.0002798700000000, 0.0019765500000000 ] - [ 0.0006032500000000, -0.0000694300000000, 0.0004649500000000 ] - [ -0.0004067600000000, -0.0002798700000000, 0.0019765500000000 ] - [ 0.0006032500000000, 0.0000694300000000, 0.0004649500000000 ] - [ -0.0001004700000000, -0.0000761500000000, 0.0001880700000000 ] - [ -0.0051278500000000, -0.0033839800000000, 0.0014651800000000 ] - [ -0.0001004700000000, 0.0000761500000000, 0.0001880700000000 ] - [ -0.0051278500000000, 0.0033839800000000, 0.0014651800000000 ] - [ -0.0001891800000000, 0.0000000000000000, 0.0000293400000000 ] - [ -0.0011490800000000, 0.0000000000000000, 0.0005601600000000 ] - [ 0.0002312400000000, 0.0000000000000000, -0.0006274300000000 ] - [ 0.0004282800000000, 0.0000000000000000, -0.0006280100000000 ] - [ 0.0003065700000000, -0.0000281600000000, -0.0005287200000000 ] - [ 0.0004205600000000, -0.0000171000000000, -0.0005293600000000 ] - [ 0.0003065700000000, 0.0000281600000000, -0.0005287200000000 ] - [ 0.0004205600000000, 0.0000171000000000, -0.0005293600000000 ] - [ -0.0005719500000000, 0.0000302600000000, -0.0002501100000000 ] - [ -0.0005408000000000, 0.0000079500000000, 0.0000148200000000 ] - [ -0.0005719500000000, -0.0000302600000000, -0.0002501100000000 ] - [ -0.0005408000000000, -0.0000079500000000, 0.0000148200000000 ] - [ -0.0005556600000000, 0.0000000000000000, -0.0000901100000000 ] - [ -0.0005205800000000, 0.0000000000000000, 0.0000548000000000 ] - [ 0.0002338100000000, 0.0000226000000000, -0.0002529000000000 ] - [ 0.0002890100000000, 0.0001022900000000, -0.0005321300000000 ] - [ 0.0002338100000000, -0.0000226000000000, -0.0002529000000000 ] - [ 0.0002890100000000, -0.0001022900000000, -0.0005321300000000 ] - [ 0.0002373500000000, 0.0000000000000000, -0.0001910000000000 ] - [ 0.0002752800000000, 0.0000000000000000, -0.0003301600000000 ] - [ -0.0000832300000000, 0.0000000000000000, -0.0005869400000000 ] - [ -0.0000245300000000, 0.0000000000000000, -0.0002469100000000 ] - [ -0.0000757300000000, 0.0000156800000000, -0.0003874000000000 ] - [ -0.0000444700000000, 0.0000092200000000, -0.0002002700000000 ] - [ -0.0000757300000000, -0.0000156800000000, -0.0003874000000000 ] - [ -0.0000444700000000, -0.0000092200000000, -0.0002002700000000 ] - [ -0.0006012500000000, 0.0012303500000000, 0.0025954400000000 ] - [ 0.0009976300000000, 0.0010971900000000, 0.0007486100000000 ] - [ -0.0006012500000000, -0.0012303500000000, 0.0025954400000000 ] - [ 0.0009976300000000, -0.0010971900000000, 0.0007486100000000 ] - [ 0.0004122700000000, 0.0000000000000000, 0.0007055500000000 ] - [ 0.0004385200000000, 0.0000000000000000, 0.0002926300000000 ] - [ 0.0073378800000000, 0.0000000000000000, -0.0007575400000000 ] - [ 0.0005826500000000, 0.0000000000000000, 0.0018956400000000 ] - [ 0.0015979700000000, 0.0014575300000000, 0.0009996300000000 ] - [ -0.0001663500000000, 0.0000228700000000, 0.0004580300000000 ] - [ 0.0015979700000000, -0.0014575300000000, 0.0009996300000000 ] - [ -0.0001663500000000, -0.0000228700000000, 0.0004580300000000 ] - [ -0.0001906000000000, 0.0000000000000000, 0.0016603600000000 ] - [ -0.0001351700000000, 0.0000000000000000, 0.0003141400000000 ] - [ -0.0000717900000000, -0.0002525600000000, 0.0008351600000000 ] - [ -0.0001485800000000, -0.0000220000000000, 0.0002924300000000 ] - [ -0.0000717900000000, 0.0002525600000000, 0.0008351600000000 ] - [ -0.0001485800000000, 0.0000220000000000, 0.0002924300000000 ] - [ 0.0004132300000000, -0.0001440200000000, 0.0000320600000000 ] - [ -0.0003087400000000, -0.0003418100000000, 0.0007221700000000 ] - [ 0.0004132300000000, 0.0001440200000000, 0.0000320600000000 ] - [ -0.0003087400000000, 0.0003418100000000, 0.0007221700000000 ] - [ 0.0001899700000000, 0.0000000000000000, -0.0001245300000000 ] - [ 0.0000411800000000, 0.0000000000000000, 0.0000038400000000 ] - [ -0.0010107600000000, 0.0000000000000000, 0.0002499000000000 ] - [ 0.0012324900000000, 0.0000000000000000, 0.0002303000000000 ] - [ -0.0006049300000000, -0.0001985500000000, 0.0000146800000000 ] - [ 0.0003261900000000, -0.0001807900000000, -0.0000710500000000 ] - [ -0.0006049300000000, 0.0001985500000000, 0.0000146800000000 ] - [ 0.0003261900000000, 0.0001807900000000, -0.0000710500000000 ] - [ 0.0015566600000000, -0.0022236500000000, 0.0019957200000000 ] - [ -0.0002601500000000, -0.0001504500000000, 0.0002417300000000 ] - [ 0.0015566600000000, 0.0022236500000000, 0.0019957200000000 ] - [ -0.0002601500000000, 0.0001504500000000, 0.0002417300000000 ] - [ 0.0002791200000000, 0.0000000000000000, -0.0000748800000000 ] - [ -0.0000439300000000, 0.0000000000000000, 0.0001408300000000 ] - [ 0.0016427800000000, -0.0010971100000000, -0.0125214900000000 ] - [ -0.0005478200000000, -0.0003070300000000, -0.0007868600000000 ] - [ 0.0016427800000000, 0.0010971100000000, -0.0125214900000000 ] - [ -0.0005478200000000, 0.0003070300000000, -0.0007868600000000 ] - [ 0.0003749100000000, 0.0000000000000000, -0.0014511600000000 ] - [ -0.0001665500000000, 0.0000000000000000, -0.0002876900000000 ] - [ 0.0004255800000000, 0.0000000000000000, -0.0042485300000000 ] - [ -0.0043274700000000, 0.0000000000000000, -0.0110988400000000 ] - [ -0.0005321600000000, 0.0004143000000000, -0.0021224400000000 ] - [ -0.0001249300000000, 0.0019021200000000, -0.0038095600000000 ] - [ -0.0005321600000000, -0.0004143000000000, -0.0021224400000000 ] - [ -0.0001249300000000, -0.0019021200000000, -0.0038095600000000 ] - [ 0.0000202900000000, 0.0000726100000000, 0.0006637800000000 ] - [ 0.0003067100000000, 0.0000637800000000, 0.0009280400000000 ] - [ 0.0000202900000000, -0.0000726100000000, 0.0006637800000000 ] - [ 0.0003067100000000, -0.0000637800000000, 0.0009280400000000 ] - [ 0.0000576500000000, 0.0000000000000000, 0.0003959200000000 ] - [ 0.0002259700000000, 0.0000000000000000, 0.0005147000000000 ] - [ 0.0002571800000000, 0.0000000000000000, 0.0026053900000000 ] - [ -0.0002448600000000, 0.0000000000000000, 0.0012279400000000 ] - [ 0.0000439200000000, 0.0003012400000000, 0.0016787000000000 ] - [ -0.0002144600000000, 0.0001002800000000, 0.0010469100000000 ] - [ 0.0000439200000000, -0.0003012400000000, 0.0016787000000000 ] - [ -0.0002144600000000, -0.0001002800000000, 0.0010469100000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006686600000000, 0.0000000000000000, -0.0004923200000000 ] - [ 0.0000959200000000, 0.0000000000000000, 0.0001182100000000 ] - [ 0.0005206000000000, -0.0001154600000000, -0.0002557800000000 ] - [ 0.0001951900000000, -0.0000213100000000, 0.0000992300000000 ] - [ 0.0005206000000000, 0.0001154600000000, -0.0002557800000000 ] - [ 0.0001951900000000, 0.0000213100000000, 0.0000992300000000 ] - [ -0.0003165700000000, -0.0004550800000000, 0.0005921800000000 ] - [ 0.0000490800000000, 0.0001298900000000, -0.0007139900000000 ] - [ -0.0004173100000000, 0.0000000000000000, 0.0000234700000000 ] - [ -0.0000563700000000, 0.0000000000000000, -0.0004704100000000 ] - [ -0.0003165700000000, 0.0004550800000000, 0.0005921800000000 ] - [ 0.0000490800000000, -0.0001298900000000, -0.0007139900000000 ] - [ -0.0027714900000000, 0.0000000000000000, -0.0034968000000000 ] - [ 0.0010460000000000, 0.0000000000000000, 0.0007009300000000 ] - [ -0.0002560800000000, -0.0002693800000000, -0.0003336900000000 ] - [ 0.0007976900000000, -0.0000159400000000, 0.0003842100000000 ] - [ -0.0002560800000000, 0.0002693800000000, -0.0003336900000000 ] - [ 0.0007976900000000, 0.0000159400000000, 0.0003842100000000 ] - [ 0.0005652800000000, -0.0000655200000000, 0.0006103900000000 ] - [ -0.0032372600000000, 0.0011297400000000, -0.0029459400000000 ] - [ 0.0001785600000000, 0.0000000000000000, 0.0002592400000000 ] - [ -0.0010748600000000, 0.0000000000000000, -0.0003603100000000 ] - [ 0.0005652800000000, 0.0000655200000000, 0.0006103900000000 ] - [ -0.0032372600000000, -0.0011297400000000, -0.0029459400000000 ] - [ -0.0000711700000000, -0.0000437100000000, 0.0004239900000000 ] - [ -0.0005208700000000, -0.0000765900000000, 0.0002970900000000 ] - [ -0.0001066000000000, 0.0000000000000000, 0.0004735200000000 ] - [ -0.0004016900000000, 0.0000000000000000, 0.0004173000000000 ] - [ -0.0000711700000000, 0.0000437100000000, 0.0004239900000000 ] - [ -0.0005208700000000, 0.0000765900000000, 0.0002970900000000 ] - [ -0.0002410200000000, 0.0000000000000000, -0.0001039600000000 ] - [ 0.0005193500000000, 0.0000000000000000, -0.0006616700000000 ] - [ -0.0000526600000000, -0.0000791000000000, -0.0006620500000000 ] - [ 0.0004417200000000, 0.0000171500000000, -0.0006003700000000 ] - [ -0.0000526600000000, 0.0000791000000000, -0.0006620500000000 ] - [ 0.0004417200000000, -0.0000171500000000, -0.0006003700000000 ] - [ 0.0003857100000000, -0.0037637400000000, -0.0016630400000000 ] - [ 0.0001070800000000, 0.0005011100000000, 0.0001751100000000 ] - [ -0.0001685300000000, 0.0000000000000000, -0.0006545600000000 ] - [ -0.0000936200000000, 0.0000000000000000, -0.0001226000000000 ] - [ 0.0003857100000000, 0.0037637400000000, -0.0016630400000000 ] - [ 0.0001070800000000, -0.0005011100000000, 0.0001751100000000 ] - [ 0.0018682800000000, 0.0000000000000000, 0.0008679300000000 ] - [ 0.0106607400000000, 0.0000000000000000, -0.0052882100000000 ] - [ 0.0005443700000000, -0.0006142400000000, 0.0008412900000000 ] - [ 0.0011819800000000, 0.0033928200000000, -0.0016241800000000 ] - [ 0.0005443700000000, 0.0006142400000000, 0.0008412900000000 ] - [ 0.0011819800000000, -0.0033928200000000, -0.0016241800000000 ] - [ 0.0006980000000000, -0.0000306200000000, 0.0001647900000000 ] - [ 0.0002333300000000, -0.0000346900000000, 0.0001091200000000 ] - [ 0.0006435300000000, 0.0000000000000000, 0.0001611200000000 ] - [ 0.0003175500000000, 0.0000000000000000, 0.0001227200000000 ] - [ 0.0006980000000000, 0.0000306200000000, 0.0001647900000000 ] - [ 0.0002333300000000, 0.0000346900000000, 0.0001091200000000 ] - [ -0.0006144500000000, 0.0000000000000000, -0.0003152600000000 ] - [ -0.0002395700000000, 0.0000000000000000, -0.0003730600000000 ] - [ -0.0005880300000000, -0.0000721700000000, -0.0003222500000000 ] - [ -0.0002774100000000, 0.0000023900000000, -0.0003531900000000 ] - [ -0.0005880300000000, 0.0000721700000000, -0.0003222500000000 ] - [ -0.0002774100000000, -0.0000023900000000, -0.0003531900000000 ] - [ 0.0050761200000000, -0.0056898300000000, -0.0009848300000000 ] - [ 0.0027328400000000, 0.0004263600000000, 0.0005945200000000 ] - [ 0.0003068300000000, 0.0000000000000000, 0.0000141100000000 ] - [ 0.0010323600000000, 0.0000000000000000, 0.0000400700000000 ] - [ 0.0050761200000000, 0.0056898300000000, -0.0009848300000000 ] - [ 0.0027328400000000, -0.0004263600000000, 0.0005945200000000 ] - [ 0.0025914300000000, 0.0000000000000000, 0.0009784400000000 ] - [ 0.0098561500000000, 0.0000000000000000, 0.0077785300000000 ] - [ 0.0001954200000000, -0.0007392000000000, 0.0002322000000000 ] - [ -0.0000104300000000, 0.0016841200000000, 0.0019947600000000 ] - [ 0.0001954200000000, 0.0007392000000000, 0.0002322000000000 ] - [ -0.0000104300000000, -0.0016841200000000, 0.0019947600000000 ] - [ -0.0633747500000000, 0.0000000000000000, 0.0084831100000000 ] - [ 0.0019119100000000, 0.0000000000000000, -0.0002799900000000 ] - [ -0.0022497900000000, 0.0005634200000000, 0.0007366900000000 ] - [ 0.0011753200000000, -0.0001662800000000, -0.0001685600000000 ] - [ -0.0022497900000000, -0.0005634200000000, 0.0007366900000000 ] - [ 0.0011753200000000, 0.0001662800000000, -0.0001685600000000 ] - [ 0.0012207900000000, 0.0000976000000000, -0.0002194200000000 ] - [ -0.0060235600000000, -0.0014972300000000, 0.0008869400000000 ] - [ 0.0006108500000000, 0.0000000000000000, -0.0001119400000000 ] - [ -0.0014306200000000, 0.0000000000000000, 0.0006306700000000 ] - [ 0.0012207900000000, -0.0000976000000000, -0.0002194200000000 ] - [ -0.0060235600000000, 0.0014972300000000, 0.0008869400000000 ] - [ 0.0001546900000000, 0.0000000000000000, 0.0000951500000000 ] - [ 0.0001531400000000, 0.0000000000000000, -0.0002946400000000 ] - [ 0.0001423600000000, -0.0000880100000000, 0.0000199300000000 ] - [ 0.0001414800000000, 0.0000174600000000, -0.0002181600000000 ] - [ 0.0001423600000000, 0.0000880100000000, 0.0000199300000000 ] - [ 0.0001414800000000, -0.0000174600000000, -0.0002181600000000 ] - [ -0.0000646800000000, -0.0000503500000000, -0.0001444000000000 ] - [ -0.0002677200000000, -0.0000082900000000, -0.0000963500000000 ] - [ -0.0001425800000000, 0.0000000000000000, -0.0001040400000000 ] - [ -0.0002372100000000, 0.0000000000000000, -0.0000782300000000 ] - [ -0.0000646800000000, 0.0000503500000000, -0.0001444000000000 ] - [ -0.0002677200000000, 0.0000082900000000, -0.0000963500000000 ] - [ -0.0009300600000000, 0.0001645600000000, 0.0004934800000000 ] - [ 0.0007869900000000, 0.0000643600000000, -0.0002815500000000 ] - [ -0.0005005900000000, 0.0000000000000000, 0.0002598700000000 ] - [ 0.0002946900000000, 0.0000000000000000, -0.0001057700000000 ] - [ -0.0009300600000000, -0.0001645600000000, 0.0004934800000000 ] - [ 0.0007869900000000, -0.0000643600000000, -0.0002815500000000 ] - [ 0.0045162700000000, 0.0000000000000000, 0.0033458600000000 ] - [ -0.0012554700000000, 0.0000000000000000, 0.0003623700000000 ] - [ 0.0009020500000000, 0.0004355800000000, -0.0004788300000000 ] - [ -0.0006399900000000, -0.0001148200000000, 0.0000854100000000 ] - [ 0.0009020500000000, -0.0004355800000000, -0.0004788300000000 ] - [ -0.0006399900000000, 0.0001148200000000, 0.0000854100000000 ] - [ -0.0000915300000000, 0.0003048500000000, 0.0005080600000000 ] - [ -0.0002235800000000, -0.0000150600000000, -0.0003805000000000 ] - [ -0.0000570100000000, 0.0000000000000000, 0.0000185200000000 ] - [ -0.0001989600000000, 0.0000000000000000, -0.0003192900000000 ] - [ -0.0000915300000000, -0.0003048500000000, 0.0005080600000000 ] - [ -0.0002235800000000, 0.0000150600000000, -0.0003805000000000 ] - [ -0.0004347900000000, 0.0000000000000000, -0.0001935900000000 ] - [ 0.0005801500000000, 0.0000000000000000, 0.0015548000000000 ] - [ -0.0000848800000000, 0.0001133000000000, 0.0000615700000000 ] - [ 0.0002796700000000, -0.0001482800000000, 0.0008367200000000 ] - [ -0.0000848800000000, -0.0001133000000000, 0.0000615700000000 ] - [ 0.0002796700000000, 0.0001482800000000, 0.0008367200000000 ] - [ -0.0004699000000000, 0.0000000000000000, 0.0008183800000000 ] - [ 0.0007026600000000, 0.0000000000000000, 0.0008172000000000 ] - [ -0.0003043200000000, 0.0001126000000000, 0.0007121100000000 ] - [ 0.0005242700000000, 0.0000951300000000, 0.0006846700000000 ] - [ -0.0003043200000000, -0.0001126000000000, 0.0007121100000000 ] - [ 0.0005242700000000, -0.0000951300000000, 0.0006846700000000 ] - [ 0.0003897900000000, 0.0003345300000000, -0.0006055000000000 ] - [ -0.0006280200000000, -0.0000360800000000, 0.0002792600000000 ] - [ 0.0002365700000000, 0.0000000000000000, -0.0002105300000000 ] - [ -0.0005096700000000, 0.0000000000000000, 0.0001132700000000 ] - [ 0.0003897900000000, -0.0003345300000000, -0.0006055000000000 ] - [ -0.0006280200000000, 0.0000360800000000, 0.0002792600000000 ] - [ 0.0146931400000000, 0.0000000000000000, -0.0053255700000000 ] - [ -0.0050713700000000, 0.0000000000000000, -0.0022558400000000 ] - [ 0.0025903000000000, 0.0033986800000000, -0.0003555100000000 ] - [ -0.0022293800000000, -0.0007280900000000, -0.0014084100000000 ] - [ 0.0025903000000000, -0.0033986800000000, -0.0003555100000000 ] - [ -0.0022293800000000, 0.0007280900000000, -0.0014084100000000 ] - [ -0.0049258600000000, 0.0015248100000000, -0.0004900600000000 ] - [ 0.0149842000000000, 0.0018189500000000, 0.0003210400000000 ] - [ -0.0015707600000000, 0.0000000000000000, 0.0001338500000000 ] - [ 0.0020641900000000, 0.0000000000000000, -0.0006464100000000 ] - [ -0.0049258600000000, -0.0015248100000000, -0.0004900600000000 ] - [ 0.0149842000000000, -0.0018189500000000, 0.0003210400000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000393600000000, 0.0000000000000000, 0.0005383200000000 ] - [ 0.0005332000000000, 0.0000000000000000, -0.0000750000000000 ] - [ 0.0001102700000000, 0.0001163600000000, 0.0002986300000000 ] - [ 0.0004338400000000, 0.0000213900000000, -0.0000566800000000 ] - [ 0.0001102700000000, -0.0001163600000000, 0.0002986300000000 ] - [ 0.0004338400000000, -0.0000213900000000, -0.0000566800000000 ] - [ -0.0003128600000000, 0.0004542400000000, -0.0006320700000000 ] - [ -0.0006848600000000, -0.0001292400000000, 0.0006714500000000 ] - [ -0.0002130800000000, 0.0000000000000000, -0.0000653600000000 ] - [ -0.0005774800000000, 0.0000000000000000, 0.0004263800000000 ] - [ -0.0003128600000000, -0.0004542400000000, -0.0006320700000000 ] - [ -0.0006848600000000, 0.0001292400000000, 0.0006714500000000 ] - [ 0.0034389300000000, 0.0000000000000000, 0.0034781900000000 ] - [ -0.0004156000000000, 0.0000000000000000, -0.0007405800000000 ] - [ 0.0008897300000000, 0.0002671600000000, 0.0002870600000000 ] - [ -0.0001677900000000, 0.0000166900000000, -0.0004262900000000 ] - [ 0.0008897300000000, -0.0002671600000000, 0.0002870600000000 ] - [ -0.0001677900000000, -0.0000166900000000, -0.0004262900000000 ] - [ -0.0011981600000000, 0.0000668100000000, -0.0005709300000000 ] - [ 0.0025696000000000, -0.0011661500000000, 0.0030161900000000 ] - [ -0.0008110300000000, 0.0000000000000000, -0.0002177700000000 ] - [ 0.0004391900000000, 0.0000000000000000, 0.0004004300000000 ] - [ -0.0011981600000000, -0.0000668100000000, -0.0005709300000000 ] - [ 0.0025696000000000, 0.0011661500000000, 0.0030161900000000 ] - [ -0.0004261100000000, 0.0000440900000000, 0.0005690800000000 ] - [ 0.0000240200000000, 0.0000771800000000, 0.0006956000000000 ] - [ -0.0003908300000000, 0.0000000000000000, 0.0005188700000000 ] - [ -0.0000963800000000, 0.0000000000000000, 0.0005741500000000 ] - [ -0.0004261100000000, -0.0000440900000000, 0.0005690800000000 ] - [ 0.0000240200000000, -0.0000771800000000, 0.0006956000000000 ] - [ 0.0007384600000000, 0.0000000000000000, -0.0008851700000000 ] - [ -0.0000242500000000, 0.0000000000000000, -0.0003310700000000 ] - [ 0.0005493700000000, 0.0000783100000000, -0.0003274600000000 ] - [ 0.0000530200000000, -0.0000168000000000, -0.0003921300000000 ] - [ 0.0005493700000000, -0.0000783100000000, -0.0003274600000000 ] - [ 0.0000530200000000, 0.0000168000000000, -0.0003921300000000 ] - [ -0.0008833700000000, 0.0037911300000000, 0.0006724300000000 ] - [ -0.0006052600000000, -0.0004981200000000, -0.0011661700000000 ] - [ -0.0003262300000000, 0.0000000000000000, -0.0003399200000000 ] - [ -0.0004043600000000, 0.0000000000000000, -0.0008688300000000 ] - [ -0.0008833700000000, -0.0037911300000000, 0.0006724300000000 ] - [ -0.0006052600000000, 0.0004981200000000, -0.0011661700000000 ] - [ -0.0013749000000000, 0.0000000000000000, 0.0001183100000000 ] - [ -0.0099501900000000, 0.0000000000000000, 0.0061456600000000 ] - [ -0.0000474800000000, 0.0006170400000000, 0.0001478200000000 ] - [ -0.0006809400000000, -0.0033763000000000, 0.0025969500000000 ] - [ -0.0000474800000000, -0.0006170400000000, 0.0001478200000000 ] - [ -0.0006809400000000, 0.0033763000000000, 0.0025969500000000 ] - [ 0.0002096800000000, 0.0000309300000000, 0.0003273200000000 ] - [ 0.0006736600000000, 0.0000347300000000, 0.0003843900000000 ] - [ 0.0002639900000000, 0.0000000000000000, 0.0003310900000000 ] - [ 0.0005894800000000, 0.0000000000000000, 0.0003700800000000 ] - [ 0.0002096800000000, -0.0000309300000000, 0.0003273200000000 ] - [ 0.0006736600000000, -0.0000347300000000, 0.0003843900000000 ] - [ -0.0002951900000000, 0.0000000000000000, -0.0001754400000000 ] - [ -0.0006705400000000, 0.0000000000000000, -0.0001185300000000 ] - [ -0.0003215100000000, 0.0000722500000000, -0.0001687500000000 ] - [ -0.0006326900000000, -0.0000021000000000, -0.0001383600000000 ] - [ -0.0003215100000000, -0.0000722500000000, -0.0001687500000000 ] - [ -0.0006326900000000, 0.0000021000000000, -0.0001383600000000 ] - [ -0.0042139200000000, 0.0057665300000000, 0.0005053900000000 ] - [ -0.0018375500000000, -0.0004223400000000, -0.0010885900000000 ] - [ 0.0006036300000000, 0.0000000000000000, -0.0005051800000000 ] - [ -0.0001269200000000, 0.0000000000000000, -0.0005326300000000 ] - [ -0.0042139200000000, -0.0057665300000000, 0.0005053900000000 ] - [ -0.0018375500000000, 0.0004223400000000, -0.0010885900000000 ] - [ -0.0035061200000000, 0.0000000000000000, -0.0004861200000000 ] - [ -0.0106005800000000, 0.0000000000000000, -0.0071425500000000 ] - [ -0.0011034600000000, 0.0007436800000000, 0.0002609600000000 ] - [ -0.0008997500000000, -0.0016772400000000, -0.0014928000000000 ] - [ -0.0011034600000000, -0.0007436800000000, 0.0002609600000000 ] - [ -0.0008997500000000, 0.0016772400000000, -0.0014928000000000 ] - [ 0.0632086400000000, 0.0000000000000000, -0.0089535800000000 ] - [ -0.0016072300000000, 0.0000000000000000, 0.0002594900000000 ] - [ 0.0025504800000000, -0.0005715800000000, -0.0007572300000000 ] - [ -0.0008727800000000, 0.0001677400000000, 0.0001486900000000 ] - [ 0.0025504800000000, 0.0005715800000000, -0.0007572300000000 ] - [ -0.0008727800000000, -0.0001677400000000, 0.0001486900000000 ] - [ -0.0015277700000000, -0.0000954100000000, 0.0002392200000000 ] - [ 0.0057351700000000, 0.0013994800000000, -0.0009587100000000 ] - [ -0.0009162900000000, 0.0000000000000000, 0.0001319500000000 ] - [ 0.0011256400000000, 0.0000000000000000, -0.0006120600000000 ] - [ -0.0015277700000000, 0.0000954100000000, 0.0002392200000000 ] - [ 0.0057351700000000, -0.0013994800000000, -0.0009587100000000 ] - [ 0.0001508400000000, 0.0000000000000000, -0.0000759500000000 ] - [ 0.0001490400000000, 0.0000000000000000, 0.0003147100000000 ] - [ 0.0001625000000000, 0.0000883000000000, 0.0000006400000000 ] - [ 0.0001614300000000, -0.0000169200000000, 0.0002381800000000 ] - [ 0.0001625000000000, -0.0000883000000000, 0.0000006400000000 ] - [ 0.0001614300000000, 0.0000169200000000, 0.0002381800000000 ] - [ -0.0002402100000000, 0.0000506400000000, 0.0001262700000000 ] - [ -0.0000392400000000, 0.0000085100000000, 0.0000773700000000 ] - [ -0.0001620800000000, 0.0000000000000000, 0.0000852200000000 ] - [ -0.0000693800000000, 0.0000000000000000, 0.0000588900000000 ] - [ -0.0002402100000000, -0.0000506400000000, 0.0001262700000000 ] - [ -0.0000392400000000, -0.0000085100000000, 0.0000773700000000 ] - [ 0.0006817000000000, -0.0001661100000000, -0.0001272400000000 ] - [ -0.0010336200000000, -0.0000658500000000, 0.0006555600000000 ] - [ 0.0002500300000000, 0.0000000000000000, 0.0001079700000000 ] - [ -0.0005430600000000, 0.0000000000000000, 0.0004745900000000 ] - [ 0.0006817000000000, 0.0001661100000000, -0.0001272400000000 ] - [ -0.0010336200000000, 0.0000658500000000, 0.0006555600000000 ] - [ -0.0043429900000000, 0.0000000000000000, -0.0038927100000000 ] - [ 0.0015020800000000, 0.0000000000000000, -0.0007280400000000 ] - [ -0.0006603100000000, -0.0004310800000000, 0.0001092400000000 ] - [ 0.0008884100000000, 0.0001140900000000, -0.0004526000000000 ] - [ -0.0006603100000000, 0.0004310800000000, 0.0001092400000000 ] - [ 0.0008884100000000, -0.0001140900000000, -0.0004526000000000 ] - [ -0.0001598200000000, -0.0003072200000000, -0.0008793500000000 ] - [ -0.0000254000000000, 0.0000146900000000, 0.0000107300000000 ] - [ -0.0001941700000000, 0.0000000000000000, -0.0003868100000000 ] - [ -0.0000503600000000, 0.0000000000000000, -0.0000501200000000 ] - [ -0.0001598200000000, 0.0003072200000000, -0.0008793500000000 ] - [ -0.0000254000000000, -0.0000146900000000, 0.0000107300000000 ] - [ 0.0006799800000000, 0.0000000000000000, 0.0005637800000000 ] - [ -0.0003221700000000, 0.0000000000000000, -0.0011920200000000 ] - [ 0.0003312200000000, -0.0001135200000000, 0.0003078500000000 ] - [ -0.0000281300000000, 0.0001509700000000, -0.0004700900000000 ] - [ 0.0003312200000000, 0.0001135200000000, 0.0003078500000000 ] - [ -0.0000281300000000, -0.0001509700000000, -0.0004700900000000 ] - [ 0.0007014000000000, 0.0000000000000000, -0.0000090100000000 ] - [ -0.0004698200000000, 0.0000000000000000, -0.0000071800000000 ] - [ 0.0005351000000000, -0.0001132700000000, 0.0000988400000000 ] - [ -0.0002910500000000, -0.0000956900000000, 0.0001268700000000 ] - [ 0.0005351000000000, 0.0001132700000000, 0.0000988400000000 ] - [ -0.0002910500000000, 0.0000956900000000, 0.0001268700000000 ] - [ -0.0006268400000000, -0.0003342600000000, -0.0002137400000000 ] - [ 0.0003961700000000, 0.0000356000000000, -0.0010929500000000 ] - [ -0.0004729400000000, 0.0000000000000000, -0.0006059200000000 ] - [ 0.0002773200000000, 0.0000000000000000, -0.0009267800000000 ] - [ -0.0006268400000000, 0.0003342600000000, -0.0002137400000000 ] - [ 0.0003961700000000, -0.0000356000000000, -0.0010929500000000 ] - [ -0.0150581400000000, 0.0000000000000000, 0.0052234400000000 ] - [ 0.0052974900000000, 0.0000000000000000, 0.0014404500000000 ] - [ -0.0023911600000000, -0.0033936100000000, -0.0004558100000000 ] - [ 0.0024629500000000, 0.0007259200000000, 0.0005944900000000 ] - [ -0.0023911600000000, 0.0033936100000000, -0.0004558100000000 ] - [ 0.0024629500000000, -0.0007259200000000, 0.0005944900000000 ] - [ 0.0047008400000000, -0.0015326300000000, 0.0013095600000000 ] - [ -0.0146906900000000, -0.0011781000000000, 0.0005015100000000 ] - [ 0.0013337000000000, 0.0000000000000000, 0.0006808800000000 ] - [ -0.0022841900000000, 0.0000000000000000, 0.0014608100000000 ] - [ 0.0047008400000000, 0.0015326300000000, 0.0013095600000000 ] - [ -0.0146906900000000, 0.0011781000000000, 0.0005015100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003168200000000, -0.0001179000000000, 0.0000192100000000 ] - [ 0.0003144900000000, -0.0002482700000000, 0.0000210200000000 ] - [ 0.0002771400000000, 0.0000575600000000, 0.0000913000000000 ] - [ 0.0003582700000000, 0.0001219900000000, 0.0001769100000000 ] - [ 0.0003555200000000, 0.0000587800000000, -0.0000514800000000 ] - [ 0.0002718700000000, 0.0001227000000000, -0.0001342700000000 ] - [ -0.0004396100000000, -0.0001945500000000, -0.0002562200000000 ] - [ -0.0000904600000000, -0.0001832600000000, -0.0003422600000000 ] - [ -0.0003160000000000, 0.0003148200000000, -0.0000218600000000 ] - [ -0.0003144600000000, 0.0003708400000000, -0.0000237700000000 ] - [ -0.0001913500000000, -0.0001892600000000, 0.0002190700000000 ] - [ -0.0005397600000000, -0.0001820300000000, 0.0002976700000000 ] - [ 0.0003039500000000, -0.0008836800000000, -0.0000382000000000 ] - [ 0.0003175000000000, -0.0001814600000000, -0.0000198300000000 ] - [ 0.0001602600000000, 0.0005947900000000, 0.0008299600000000 ] - [ 0.0004159200000000, 0.0000904800000000, 0.0002256700000000 ] - [ 0.0004664700000000, 0.0005959900000000, -0.0008698900000000 ] - [ 0.0002182700000000, 0.0000914400000000, -0.0002643800000000 ] - [ -0.0003185800000000, -0.0001406500000000, -0.0002053600000000 ] - [ 0.0008829400000000, 0.0026174000000000, -0.0067994700000000 ] - [ -0.0003143700000000, 0.0002796000000000, 0.0000215200000000 ] - [ -0.0003189400000000, 0.0011684100000000, 0.0000179300000000 ] - [ -0.0003085700000000, -0.0001388400000000, 0.0002496200000000 ] - [ -0.0015093700000000, 0.0026050800000000, 0.0067562100000000 ] - [ -0.0002291700000000, -0.0000425500000000, 0.0005382700000000 ] - [ -0.0002179900000000, -0.0000841600000000, 0.0006525800000000 ] - [ -0.0002479800000000, 0.0000807200000000, 0.0004956500000000 ] - [ -0.0002490100000000, 0.0001640900000000, 0.0004954200000000 ] - [ -0.0002664100000000, -0.0000418100000000, 0.0004525700000000 ] - [ -0.0002806400000000, -0.0000828900000000, 0.0003373900000000 ] - [ 0.0002467900000000, -0.0003574600000000, -0.0004931900000000 ] - [ 0.0002490300000000, -0.0001622600000000, -0.0004954400000000 ] - [ 0.0000628100000000, 0.0001852100000000, -0.0008407900000000 ] - [ 0.0002478200000000, 0.0000816700000000, -0.0006040700000000 ] - [ 0.0004312000000000, 0.0001863800000000, -0.0001525300000000 ] - [ 0.0002490500000000, 0.0000820500000000, -0.0003887300000000 ] - [ -0.0006066700000000, -0.0013323600000000, -0.0002102300000000 ] - [ 0.0000507400000000, -0.0003925700000000, -0.0003040100000000 ] - [ -0.0002484200000000, 0.0013060200000000, -0.0004956500000000 ] - [ -0.0002475700000000, 0.0007885300000000, -0.0004941500000000 ] - [ 0.0001139400000000, -0.0012955600000000, -0.0007876000000000 ] - [ -0.0005478300000000, -0.0003885500000000, -0.0006839100000000 ] - [ 0.0002541500000000, -0.0008930300000000, 0.0004964900000000 ] - [ 0.0002243900000000, -0.0059737400000000, 0.0005005400000000 ] - [ -0.0000878000000000, 0.0004337800000000, 0.0004635000000000 ] - [ 0.0012999200000000, 0.0045007000000000, -0.0015793700000000 ] - [ 0.0005844100000000, 0.0004381300000000, 0.0005296100000000 ] - [ -0.0008002000000000, 0.0044679400000000, 0.0025473900000000 ] - [ 0.0004725700000000, -0.0000372900000000, 0.0002227900000000 ] - [ 0.0004650000000000, -0.0000860300000000, 0.0001424600000000 ] - [ 0.0004547200000000, 0.0000750200000000, 0.0002455500000000 ] - [ 0.0004536800000000, 0.0001724000000000, 0.0002452500000000 ] - [ 0.0004372600000000, -0.0000367900000000, 0.0002683900000000 ] - [ 0.0004417700000000, -0.0000851100000000, 0.0003484700000000 ] - [ -0.0004549600000000, -0.0001395700000000, -0.0002463100000000 ] - [ -0.0004537900000000, -0.0000960000000000, -0.0002463400000000 ] - [ -0.0004753400000000, 0.0000678400000000, -0.0002614900000000 ] - [ -0.0004391900000000, 0.0000462700000000, -0.0002553400000000 ] - [ -0.0004343200000000, 0.0000688100000000, -0.0002309500000000 ] - [ -0.0004686500000000, 0.0000465000000000, -0.0002371600000000 ] - [ -0.0042484600000000, 0.0016710000000000, 0.0009823200000000 ] - [ 0.0037585400000000, -0.0009751200000000, 0.0008524800000000 ] - [ 0.0004525900000000, 0.0011258700000000, -0.0002449700000000 ] - [ 0.0004571900000000, 0.0009857200000000, -0.0002444800000000 ] - [ 0.0051232000000000, 0.0016845300000000, -0.0014609000000000 ] - [ -0.0028032600000000, -0.0009605700000000, -0.0013278300000000 ] - [ -0.0004379600000000, -0.0007325400000000, 0.0002521700000000 ] - [ -0.0004907900000000, -0.0046042600000000, 0.0002362400000000 ] - [ -0.0009985700000000, 0.0004435100000000, 0.0002705900000000 ] - [ 0.0005563300000000, 0.0024767200000000, 0.0017062300000000 ] - [ 0.0000919200000000, 0.0004481200000000, 0.0002222500000000 ] - [ -0.0014618200000000, 0.0024637200000000, -0.0011977600000000 ] - [ -0.0004932900000000, -0.0615646800000000, -0.0001755100000000 ] - [ 0.0001568600000000, -0.0006559000000000, -0.0000099500000000 ] - [ -0.0004239000000000, 0.0028168200000000, 0.0002117900000000 ] - [ 0.0003224800000000, 0.0003136400000000, -0.0000325500000000 ] - [ 0.0007107600000000, 0.0028039500000000, -0.0002248700000000 ] - [ -0.0000116800000000, 0.0003150600000000, 0.0000117000000000 ] - [ -0.0000516200000000, -0.0002367100000000, 0.0002037500000000 ] - [ -0.0016091200000000, 0.0098250600000000, 0.0129430300000000 ] - [ -0.0001499400000000, 0.0004736100000000, 0.0000101200000000 ] - [ -0.0001571400000000, 0.0014967600000000, 0.0000132300000000 ] - [ -0.0002443900000000, -0.0002339100000000, -0.0001832500000000 ] - [ 0.0012878500000000, 0.0097146300000000, -0.0126791000000000 ] - [ 0.0001523900000000, -0.0001305300000000, 0.0000096900000000 ] - [ 0.0001518400000000, -0.0001306100000000, 0.0000092100000000 ] - [ 0.0001353100000000, 0.0000641400000000, -0.0000407300000000 ] - [ 0.0002402900000000, 0.0000645900000000, -0.0001093800000000 ] - [ 0.0001692400000000, 0.0000651700000000, 0.0000607100000000 ] - [ 0.0000642100000000, 0.0000648600000000, 0.0001274100000000 ] - [ -0.0002028000000000, -0.0000352400000000, -0.0000083600000000 ] - [ -0.0001616500000000, -0.0000591700000000, -0.0000070200000000 ] - [ -0.0001525100000000, 0.0000676800000000, -0.0000103400000000 ] - [ -0.0001529500000000, 0.0001158000000000, -0.0000102200000000 ] - [ -0.0001015700000000, -0.0000346000000000, -0.0000124800000000 ] - [ -0.0001446400000000, -0.0000587500000000, -0.0000133500000000 ] - [ -0.0000805500000000, 0.0000898800000000, 0.0000680100000000 ] - [ -0.0005157200000000, 0.0003138600000000, -0.0007343900000000 ] - [ -0.0001257300000000, -0.0001799700000000, 0.0001840900000000 ] - [ -0.0001236900000000, -0.0005925100000000, 0.0001823600000000 ] - [ -0.0001744300000000, 0.0000875800000000, 0.0003027800000000 ] - [ 0.0002709800000000, 0.0003074900000000, 0.0011021000000000 ] - [ 0.0001341500000000, 0.0020097200000000, -0.0001784800000000 ] - [ 0.0001227400000000, 0.0004769100000000, -0.0001833600000000 ] - [ 0.0007911200000000, -0.0009211500000000, 0.0004989500000000 ] - [ -0.0002790500000000, -0.0002374400000000, 0.0000911600000000 ] - [ -0.0005354000000000, -0.0009234400000000, -0.0008652800000000 ] - [ 0.0005218700000000, -0.0002376900000000, -0.0004566200000000 ] - [ -0.0000145400000000, 0.0001231100000000, -0.0004010800000000 ] - [ -0.0001841600000000, 0.0000661300000000, -0.0002892800000000 ] - [ -0.0001243500000000, -0.0002427200000000, -0.0001841300000000 ] - [ -0.0001249600000000, -0.0001328400000000, -0.0001849600000000 ] - [ -0.0002349400000000, 0.0001194200000000, 0.0000377200000000 ] - [ -0.0000656100000000, 0.0000654400000000, -0.0000799300000000 ] - [ 0.0001221600000000, 0.0001829400000000, 0.0001828800000000 ] - [ 0.0001260800000000, 0.0011186900000000, 0.0001837300000000 ] - [ 0.0001760200000000, -0.0000920400000000, 0.0003048600000000 ] - [ -0.0001001000000000, -0.0005289300000000, 0.0009114000000000 ] - [ 0.0000714600000000, -0.0000933400000000, 0.0000636800000000 ] - [ 0.0003492700000000, -0.0005290200000000, -0.0005365000000000 ] - [ 0.0001142800000000, 0.0002151400000000, 0.0004082300000000 ] - [ 0.0001182300000000, 0.0004262300000000, 0.0004082500000000 ] - [ 0.0001443100000000, -0.0001068200000000, 0.0003865200000000 ] - [ 0.0001126200000000, -0.0002129800000000, 0.0003686500000000 ] - [ 0.0000854600000000, -0.0001085400000000, 0.0004289500000000 ] - [ 0.0001226800000000, -0.0002148000000000, 0.0004467800000000 ] - [ 0.0000182800000000, 0.0002884800000000, -0.0000354400000000 ] - [ -0.0002627400000000, 0.0001856000000000, -0.0001646100000000 ] - [ -0.0001155200000000, -0.0005720600000000, -0.0004052300000000 ] - [ -0.0001181100000000, -0.0003707000000000, -0.0004042400000000 ] - [ -0.0002485700000000, 0.0002837800000000, -0.0007801100000000 ] - [ 0.0000268500000000, 0.0001840400000000, -0.0006453400000000 ] - [ 0.0001111600000000, 0.0130247900000000, -0.0003914100000000 ] - [ 0.0001154400000000, 0.0025733300000000, -0.0004136700000000 ] - [ 0.0029415300000000, -0.0043266500000000, -0.0022602800000000 ] - [ -0.0012732700000000, -0.0013018800000000, -0.0013686000000000 ] - [ -0.0026825000000000, -0.0043450400000000, 0.0014358300000000 ] - [ 0.0014867200000000, -0.0013001300000000, 0.0005415000000000 ] - [ 0.0013215300000000, 0.0008004400000000, 0.0007637000000000 ] - [ 0.0023753100000000, 0.0128389500000000, 0.0020907800000000 ] - [ -0.0001202300000000, -0.0015163200000000, 0.0004060900000000 ] - [ -0.0001116900000000, -0.0069540700000000, 0.0004031300000000 ] - [ -0.0015801800000000, 0.0007825100000000, 0.0000439200000000 ] - [ -0.0018984800000000, 0.0120938700000000, -0.0012870700000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000464900000000, 0.0000000000000000, 0.0007619200000000 ] - [ 0.0004153700000000, 0.0000000000000000, 0.0006562400000000 ] - [ 0.0000802300000000, 0.0000974900000000, 0.0005166200000000 ] - [ 0.0003555000000000, 0.0001012500000000, 0.0004506600000000 ] - [ 0.0000802300000000, -0.0000974900000000, 0.0005166200000000 ] - [ 0.0003555000000000, -0.0001012500000000, 0.0004506600000000 ] - [ 0.0001405700000000, -0.0006762200000000, 0.0009131100000000 ] - [ -0.0008045800000000, -0.0001883500000000, 0.0004315600000000 ] - [ -0.0001923900000000, 0.0000000000000000, 0.0001423400000000 ] - [ -0.0005749400000000, 0.0000000000000000, 0.0001402200000000 ] - [ 0.0001405700000000, 0.0006762200000000, 0.0009131100000000 ] - [ -0.0008045800000000, 0.0001883500000000, 0.0004315600000000 ] - [ 0.0014505700000000, 0.0000000000000000, 0.0028590700000000 ] - [ 0.0001638200000000, 0.0000000000000000, 0.0000419800000000 ] - [ 0.0003681000000000, 0.0005948300000000, 0.0004976700000000 ] - [ 0.0001815600000000, 0.0000875500000000, -0.0000848500000000 ] - [ 0.0003681000000000, -0.0005948300000000, 0.0004976700000000 ] - [ 0.0001815600000000, -0.0000875500000000, -0.0000848500000000 ] - [ -0.0004919300000000, -0.0001281800000000, -0.0005159100000000 ] - [ -0.0029470500000000, -0.0059560400000000, 0.0035606100000000 ] - [ -0.0004585000000000, 0.0000000000000000, -0.0003430600000000 ] - [ -0.0004115500000000, 0.0000000000000000, -0.0004620100000000 ] - [ -0.0004919300000000, 0.0001281800000000, -0.0005159100000000 ] - [ -0.0029470500000000, 0.0059560400000000, 0.0035606100000000 ] - [ -0.0002511700000000, 0.0000216600000000, 0.0008059500000000 ] - [ -0.0000586400000000, 0.0000558100000000, 0.0010899400000000 ] - [ -0.0002576400000000, 0.0000000000000000, 0.0007192000000000 ] - [ -0.0001383300000000, 0.0000000000000000, 0.0008459400000000 ] - [ -0.0002511700000000, -0.0000216600000000, 0.0008059500000000 ] - [ -0.0000586400000000, -0.0000558100000000, 0.0010899400000000 ] - [ 0.0004766300000000, 0.0000000000000000, 0.0009116500000000 ] - [ 0.0002302300000000, 0.0000000000000000, -0.0002703300000000 ] - [ 0.0003800700000000, -0.0002569000000000, -0.0001066900000000 ] - [ 0.0002008900000000, -0.0000653300000000, -0.0003910400000000 ] - [ 0.0003800700000000, 0.0002569000000000, -0.0001066900000000 ] - [ 0.0002008900000000, 0.0000653300000000, -0.0003910400000000 ] - [ -0.0011052100000000, 0.0032640800000000, 0.0002383000000000 ] - [ 0.0000340900000000, 0.0002687900000000, -0.0006809400000000 ] - [ -0.0004663900000000, 0.0000000000000000, -0.0003059400000000 ] - [ -0.0002312200000000, 0.0000000000000000, -0.0006344700000000 ] - [ -0.0011052100000000, -0.0032640800000000, 0.0002383000000000 ] - [ 0.0000340900000000, -0.0002687900000000, -0.0006809400000000 ] - [ 0.0013018000000000, 0.0000000000000000, -0.0007960900000000 ] - [ -0.0065905300000000, 0.0000000000000000, 0.0009632900000000 ] - [ 0.0004158800000000, 0.0000335700000000, -0.0000267500000000 ] - [ 0.0001297000000000, -0.0002529900000000, 0.0000052200000000 ] - [ 0.0004158800000000, -0.0000335700000000, -0.0000267500000000 ] - [ 0.0001297000000000, 0.0002529900000000, 0.0000052200000000 ] - [ 0.0003848200000000, -0.0000186100000000, 0.0004891500000000 ] - [ 0.0002869800000000, -0.0000857100000000, 0.0007685400000000 ] - [ 0.0003920000000000, 0.0000000000000000, 0.0004272500000000 ] - [ 0.0003625700000000, 0.0000000000000000, 0.0005666600000000 ] - [ 0.0003848200000000, 0.0000186100000000, 0.0004891500000000 ] - [ 0.0002869800000000, 0.0000857100000000, 0.0007685400000000 ] - [ -0.0005576800000000, 0.0000000000000000, 0.0003499000000000 ] - [ -0.0005771500000000, 0.0000000000000000, 0.0000108900000000 ] - [ -0.0005431100000000, -0.0000587300000000, 0.0001512900000000 ] - [ -0.0005537700000000, -0.0000225500000000, -0.0000357500000000 ] - [ -0.0005431100000000, 0.0000587300000000, 0.0001512900000000 ] - [ -0.0005537700000000, 0.0000225500000000, -0.0000357500000000 ] - [ -0.0002268500000000, 0.0010435400000000, -0.0028442800000000 ] - [ -0.0003285400000000, 0.0000702100000000, -0.0009876200000000 ] - [ 0.0002730900000000, 0.0000000000000000, -0.0009426900000000 ] - [ 0.0002608200000000, 0.0000000000000000, -0.0005303300000000 ] - [ -0.0002268500000000, -0.0010435400000000, -0.0028442800000000 ] - [ -0.0003285400000000, -0.0000702100000000, -0.0009876200000000 ] - [ -0.0034827600000000, 0.0000000000000000, -0.0016716700000000 ] - [ 0.0065445800000000, 0.0000000000000000, 0.0009855100000000 ] - [ -0.0009916400000000, 0.0001815000000000, -0.0002227900000000 ] - [ -0.0004563500000000, -0.0004908700000000, -0.0007676200000000 ] - [ -0.0009916400000000, -0.0001815000000000, -0.0002227900000000 ] - [ -0.0004563500000000, 0.0004908700000000, -0.0007676200000000 ] - [ 0.0094023300000000, 0.0000000000000000, -0.0684822600000000 ] - [ -0.0001218200000000, 0.0000000000000000, -0.0005464400000000 ] - [ 0.0009057600000000, -0.0002224600000000, -0.0013974600000000 ] - [ -0.0000088400000000, 0.0000224400000000, -0.0002301600000000 ] - [ 0.0009057600000000, 0.0002224600000000, -0.0013974600000000 ] - [ -0.0000088400000000, -0.0000224400000000, -0.0002301600000000 ] - [ -0.0003852000000000, 0.0001941600000000, -0.0002026000000000 ] - [ 0.0007779200000000, 0.0129212500000000, 0.0064495000000000 ] - [ -0.0002759200000000, 0.0000000000000000, -0.0000964600000000 ] - [ 0.0004730700000000, 0.0000000000000000, -0.0005125400000000 ] - [ -0.0003852000000000, -0.0001941600000000, -0.0002026000000000 ] - [ 0.0007779200000000, -0.0129212500000000, 0.0064495000000000 ] - [ 0.0004564500000000, 0.0000000000000000, 0.0004689500000000 ] - [ 0.0000676000000000, 0.0000000000000000, 0.0004707600000000 ] - [ 0.0003803800000000, -0.0001175900000000, 0.0003030300000000 ] - [ 0.0001431000000000, -0.0000504000000000, 0.0003035600000000 ] - [ 0.0003803800000000, 0.0001175900000000, 0.0003030300000000 ] - [ 0.0001431000000000, 0.0000504000000000, 0.0003035600000000 ] - [ -0.0000174500000000, -0.0000015900000000, 0.0004608200000000 ] - [ -0.0000649600000000, -0.0000028900000000, 0.0002992500000000 ] - [ -0.0000575000000000, 0.0000000000000000, 0.0003140500000000 ] - [ -0.0000831800000000, 0.0000000000000000, 0.0002221600000000 ] - [ -0.0000174500000000, 0.0000015900000000, 0.0004608200000000 ] - [ -0.0000649600000000, 0.0000028900000000, 0.0002992500000000 ] - [ 0.0003748700000000, -0.0001692500000000, -0.0001429900000000 ] - [ -0.0009287700000000, -0.0004188500000000, -0.0006191600000000 ] - [ 0.0000839700000000, 0.0000000000000000, 0.0000537600000000 ] - [ -0.0004335900000000, 0.0000000000000000, 0.0000833700000000 ] - [ 0.0003748700000000, 0.0001692500000000, -0.0001429900000000 ] - [ -0.0009287700000000, 0.0004188500000000, -0.0006191600000000 ] - [ 0.0033887000000000, 0.0000000000000000, 0.0077617100000000 ] - [ 0.0007961000000000, 0.0000000000000000, -0.0001203000000000 ] - [ -0.0004538700000000, 0.0008078800000000, 0.0000928000000000 ] - [ 0.0003779300000000, 0.0001243400000000, -0.0000233900000000 ] - [ -0.0004538700000000, -0.0008078800000000, 0.0000928000000000 ] - [ 0.0003779300000000, -0.0001243400000000, -0.0000233900000000 ] - [ 0.0000336500000000, -0.0002628100000000, -0.0011461500000000 ] - [ -0.0001729600000000, -0.0000487700000000, -0.0004362600000000 ] - [ -0.0000627200000000, 0.0000000000000000, -0.0006389300000000 ] - [ -0.0001363500000000, 0.0000000000000000, -0.0003435700000000 ] - [ 0.0000336500000000, 0.0002628100000000, -0.0011461500000000 ] - [ -0.0001729600000000, 0.0000487700000000, -0.0004362600000000 ] - [ -0.0004501200000000, 0.0000000000000000, 0.0000565400000000 ] - [ 0.0011142100000000, 0.0000000000000000, -0.0014509600000000 ] - [ -0.0000567000000000, 0.0001242700000000, 0.0002481200000000 ] - [ 0.0004467400000000, 0.0004803800000000, -0.0002220100000000 ] - [ -0.0000567000000000, -0.0001242700000000, 0.0002481200000000 ] - [ 0.0004467400000000, -0.0004803800000000, -0.0002220100000000 ] - [ 0.0001984800000000, 0.0000000000000000, -0.0007979700000000 ] - [ 0.0001229800000000, 0.0000000000000000, -0.0011873800000000 ] - [ 0.0001801600000000, -0.0000105900000000, -0.0005058500000000 ] - [ 0.0001126600000000, -0.0000189700000000, -0.0007189700000000 ] - [ 0.0001801600000000, 0.0000105900000000, -0.0005058500000000 ] - [ 0.0001126600000000, 0.0000189700000000, -0.0007189700000000 ] - [ -0.0003752200000000, 0.0005591500000000, -0.0023189500000000 ] - [ 0.0001979700000000, 0.0001536700000000, -0.0012704700000000 ] - [ -0.0003142200000000, 0.0000000000000000, -0.0012926800000000 ] - [ 0.0000763700000000, 0.0000000000000000, -0.0009789800000000 ] - [ -0.0003752200000000, -0.0005591500000000, -0.0023189500000000 ] - [ 0.0001979700000000, -0.0001536700000000, -0.0012704700000000 ] - [ -0.0107613600000000, 0.0000000000000000, 0.0217883100000000 ] - [ -0.0004573000000000, 0.0000000000000000, 0.0006887000000000 ] - [ 0.0009199000000000, -0.0030445800000000, 0.0014009100000000 ] - [ 0.0004988700000000, -0.0001711500000000, 0.0003496700000000 ] - [ 0.0009199000000000, 0.0030445800000000, 0.0014009100000000 ] - [ 0.0004988700000000, 0.0001711500000000, 0.0003496700000000 ] - [ 0.0006307800000000, -0.0002673800000000, 0.0026247800000000 ] - [ 0.0019169800000000, 0.0042045500000000, 0.0117815600000000 ] - [ 0.0003440600000000, 0.0000000000000000, 0.0014669500000000 ] - [ -0.0005226900000000, 0.0000000000000000, 0.0019797500000000 ] - [ 0.0006307800000000, 0.0002673800000000, 0.0026247800000000 ] - [ 0.0019169800000000, -0.0042045500000000, 0.0117815600000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006754500000000, 0.0000000000000000, -0.0007160100000000 ] - [ 0.0002175900000000, 0.0000000000000000, -0.0006149700000000 ] - [ 0.0005504400000000, -0.0000962500000000, -0.0004739900000000 ] - [ 0.0002768300000000, -0.0001007400000000, -0.0004097500000000 ] - [ 0.0005504400000000, 0.0000962500000000, -0.0004739900000000 ] - [ 0.0002768300000000, 0.0001007400000000, -0.0004097500000000 ] - [ -0.0007735300000000, 0.0006840400000000, -0.0009613600000000 ] - [ 0.0001722100000000, 0.0001887700000000, -0.0004690700000000 ] - [ -0.0004380900000000, 0.0000000000000000, -0.0001834800000000 ] - [ -0.0000569300000000, 0.0000000000000000, -0.0001795400000000 ] - [ -0.0007735300000000, -0.0006840400000000, -0.0009613600000000 ] - [ 0.0001722100000000, -0.0001887700000000, -0.0004690700000000 ] - [ -0.0008046200000000, 0.0000000000000000, -0.0028791300000000 ] - [ 0.0004634500000000, 0.0000000000000000, -0.0000888200000000 ] - [ 0.0002659100000000, -0.0005911600000000, -0.0005401000000000 ] - [ 0.0004467600000000, -0.0000869500000000, 0.0000379800000000 ] - [ 0.0002659100000000, 0.0005911600000000, -0.0005401000000000 ] - [ 0.0004467600000000, 0.0000869500000000, 0.0000379800000000 ] - [ -0.0001432100000000, 0.0001289600000000, 0.0005585400000000 ] - [ 0.0023584400000000, 0.0060476200000000, -0.0035535700000000 ] - [ -0.0001748800000000, 0.0000000000000000, 0.0003863300000000 ] - [ -0.0002145600000000, 0.0000000000000000, 0.0005099800000000 ] - [ -0.0001432100000000, -0.0001289600000000, 0.0005585400000000 ] - [ 0.0023584400000000, -0.0060476200000000, -0.0035535700000000 ] - [ -0.0002461700000000, -0.0000210200000000, 0.0001859700000000 ] - [ -0.0004356100000000, -0.0000548600000000, -0.0000971700000000 ] - [ -0.0002397000000000, 0.0000000000000000, 0.0002719800000000 ] - [ -0.0003574400000000, 0.0000000000000000, 0.0001450900000000 ] - [ -0.0002461700000000, 0.0000210200000000, 0.0001859700000000 ] - [ -0.0004356100000000, 0.0000548600000000, -0.0000971700000000 ] - [ 0.0000227800000000, 0.0000000000000000, -0.0019106100000000 ] - [ 0.0002651800000000, 0.0000000000000000, -0.0007200400000000 ] - [ 0.0001185800000000, 0.0002589100000000, -0.0008838500000000 ] - [ 0.0002946800000000, 0.0000658400000000, -0.0005996500000000 ] - [ 0.0001185800000000, -0.0002589100000000, -0.0008838500000000 ] - [ 0.0002946800000000, -0.0000658400000000, -0.0005996500000000 ] - [ 0.0006084000000000, -0.0032261800000000, -0.0012256600000000 ] - [ -0.0005313700000000, -0.0002704300000000, -0.0003169000000000 ] - [ -0.0000286800000000, 0.0000000000000000, -0.0006871700000000 ] - [ -0.0002654800000000, 0.0000000000000000, -0.0003613600000000 ] - [ 0.0006084000000000, 0.0032261800000000, -0.0012256600000000 ] - [ -0.0005313700000000, 0.0002704300000000, -0.0003169000000000 ] - [ -0.0008109700000000, 0.0000000000000000, 0.0017931600000000 ] - [ 0.0071171200000000, 0.0000000000000000, 0.0000594200000000 ] - [ 0.0000804500000000, -0.0000319600000000, 0.0010193900000000 ] - [ 0.0003585100000000, 0.0002248000000000, 0.0010086400000000 ] - [ 0.0000804500000000, 0.0000319600000000, 0.0010193900000000 ] - [ 0.0003585100000000, -0.0002248000000000, 0.0010086400000000 ] - [ 0.0005225800000000, 0.0000192300000000, 0.0000031600000000 ] - [ 0.0006238500000000, 0.0000866700000000, -0.0002767800000000 ] - [ 0.0005156000000000, 0.0000000000000000, 0.0000653800000000 ] - [ 0.0005472400000000, 0.0000000000000000, -0.0000742800000000 ] - [ 0.0005225800000000, -0.0000192300000000, 0.0000031600000000 ] - [ 0.0006238500000000, -0.0000866700000000, -0.0002767800000000 ] - [ -0.0003494300000000, 0.0000000000000000, -0.0008427000000000 ] - [ -0.0003324500000000, 0.0000000000000000, -0.0005023300000000 ] - [ -0.0003641000000000, 0.0000598200000000, -0.0006432600000000 ] - [ -0.0003556900000000, 0.0000229900000000, -0.0004556100000000 ] - [ -0.0003641000000000, -0.0000598200000000, -0.0006432600000000 ] - [ -0.0003556900000000, -0.0000229900000000, -0.0004556100000000 ] - [ 0.0011562300000000, -0.0010456700000000, 0.0023325100000000 ] - [ 0.0012137600000000, -0.0000691800000000, 0.0004880100000000 ] - [ 0.0006365000000000, 0.0000000000000000, 0.0004483800000000 ] - [ 0.0006431600000000, 0.0000000000000000, 0.0000358200000000 ] - [ 0.0011562300000000, 0.0010456700000000, 0.0023325100000000 ] - [ 0.0012137600000000, 0.0000691800000000, 0.0004880100000000 ] - [ 0.0025335800000000, 0.0000000000000000, 0.0021370200000000 ] - [ -0.0074129500000000, 0.0000000000000000, -0.0005141700000000 ] - [ 0.0000817600000000, -0.0001800400000000, 0.0007120700000000 ] - [ -0.0004551200000000, 0.0004801500000000, 0.0012463200000000 ] - [ 0.0000817600000000, 0.0001800400000000, 0.0007120700000000 ] - [ -0.0004551200000000, -0.0004801500000000, 0.0012463200000000 ] - [ -0.0080258200000000, 0.0000000000000000, 0.0679775300000000 ] - [ 0.0004172800000000, 0.0000000000000000, 0.0005271800000000 ] - [ -0.0005881500000000, 0.0002133400000000, 0.0013725800000000 ] - [ 0.0003082100000000, -0.0000219800000000, 0.0002115300000000 ] - [ -0.0005881500000000, -0.0002133400000000, 0.0013725800000000 ] - [ 0.0003082100000000, 0.0000219800000000, 0.0002115300000000 ] - [ 0.0000734300000000, -0.0001933100000000, 0.0002214300000000 ] - [ -0.0010672500000000, -0.0127010800000000, -0.0063442900000000 ] - [ -0.0000319800000000, 0.0000000000000000, 0.0001163000000000 ] - [ -0.0007695400000000, 0.0000000000000000, 0.0005267000000000 ] - [ 0.0000734300000000, 0.0001933100000000, 0.0002214300000000 ] - [ -0.0010672500000000, 0.0127010800000000, -0.0063442900000000 ] - [ -0.0001522800000000, 0.0000000000000000, -0.0004521500000000 ] - [ 0.0002379600000000, 0.0000000000000000, -0.0004503600000000 ] - [ -0.0000758600000000, 0.0001190200000000, -0.0002834600000000 ] - [ 0.0001622100000000, 0.0000508300000000, -0.0002828100000000 ] - [ -0.0000758600000000, -0.0001190200000000, -0.0002834600000000 ] - [ 0.0001622100000000, -0.0000508300000000, -0.0002828100000000 ] - [ -0.0002881500000000, 0.0000023100000000, -0.0004801800000000 ] - [ -0.0002390500000000, 0.0000033700000000, -0.0003185400000000 ] - [ -0.0002469700000000, 0.0000000000000000, -0.0003335600000000 ] - [ -0.0002206800000000, 0.0000000000000000, -0.0002416300000000 ] - [ -0.0002881500000000, -0.0000023100000000, -0.0004801800000000 ] - [ -0.0002390500000000, -0.0000033700000000, -0.0003185400000000 ] - [ -0.0006175900000000, 0.0001670900000000, 0.0005106300000000 ] - [ 0.0006734100000000, 0.0004174800000000, 0.0009908100000000 ] - [ -0.0003304000000000, 0.0000000000000000, 0.0003160800000000 ] - [ 0.0001822300000000, 0.0000000000000000, 0.0002886100000000 ] - [ -0.0006175900000000, -0.0001670900000000, 0.0005106300000000 ] - [ 0.0006734100000000, -0.0004174800000000, 0.0009908100000000 ] - [ -0.0034463800000000, 0.0000000000000000, -0.0085631900000000 ] - [ -0.0005410100000000, 0.0000000000000000, -0.0002531900000000 ] - [ 0.0007000500000000, -0.0008108100000000, -0.0004657700000000 ] - [ -0.0001241800000000, -0.0001243000000000, -0.0003489500000000 ] - [ 0.0007000500000000, 0.0008108100000000, -0.0004657700000000 ] - [ -0.0001241800000000, 0.0001243000000000, -0.0003489500000000 ] - [ -0.0002828200000000, 0.0002600500000000, 0.0007731600000000 ] - [ -0.0000752600000000, 0.0000485800000000, 0.0000696600000000 ] - [ -0.0001865600000000, 0.0000000000000000, 0.0002702800000000 ] - [ -0.0001120500000000, 0.0000000000000000, -0.0000232000000000 ] - [ -0.0002828200000000, -0.0002600500000000, 0.0007731600000000 ] - [ -0.0000752600000000, -0.0000485800000000, 0.0000696600000000 ] - [ 0.0007065300000000, 0.0000000000000000, 0.0003130700000000 ] - [ -0.0008726500000000, 0.0000000000000000, 0.0018181100000000 ] - [ 0.0003079300000000, -0.0001256000000000, 0.0001193100000000 ] - [ -0.0001995700000000, -0.0004816300000000, 0.0005858900000000 ] - [ 0.0003079300000000, 0.0001256000000000, 0.0001193100000000 ] - [ -0.0001995700000000, 0.0004816300000000, 0.0005858900000000 ] - [ 0.0000397000000000, 0.0000000000000000, 0.0016096400000000 ] - [ 0.0001057400000000, 0.0000000000000000, 0.0020003800000000 ] - [ 0.0000561600000000, 0.0000090200000000, 0.0013182900000000 ] - [ 0.0001176100000000, 0.0000170500000000, 0.0015322800000000 ] - [ 0.0000561600000000, -0.0000090200000000, 0.0013182900000000 ] - [ 0.0001176100000000, -0.0000170500000000, 0.0015322800000000 ] - [ 0.0001400200000000, -0.0005649300000000, 0.0015113200000000 ] - [ -0.0004286400000000, -0.0001546300000000, 0.0004532400000000 ] - [ 0.0000799500000000, 0.0000000000000000, 0.0004777600000000 ] - [ -0.0003072500000000, 0.0000000000000000, 0.0001620100000000 ] - [ 0.0001400200000000, 0.0005649300000000, 0.0015113200000000 ] - [ -0.0004286400000000, 0.0001546300000000, 0.0004532400000000 ] - [ 0.0100914900000000, 0.0000000000000000, -0.0216877700000000 ] - [ 0.0007186900000000, 0.0000000000000000, -0.0014883800000000 ] - [ -0.0006953300000000, 0.0030306700000000, -0.0021932400000000 ] - [ -0.0002502600000000, 0.0001751500000000, -0.0011528200000000 ] - [ -0.0006953300000000, -0.0030306700000000, -0.0021932400000000 ] - [ -0.0002502600000000, -0.0001751500000000, -0.0011528200000000 ] - [ -0.0008545100000000, 0.0002551800000000, -0.0018062700000000 ] - [ -0.0021742600000000, -0.0041789600000000, -0.0110166800000000 ] - [ -0.0005711000000000, 0.0000000000000000, -0.0006534200000000 ] - [ 0.0002781400000000, 0.0000000000000000, -0.0011606800000000 ] - [ -0.0008545100000000, -0.0002551800000000, -0.0018062700000000 ] - [ -0.0021742600000000, 0.0041789600000000, -0.0110166800000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0034937400000000, -0.0007045300000000, -0.0004653200000000 ] - [ -0.0007587700000000, -0.0003278900000000, 0.0005296400000000 ] - [ 0.0034937400000000, 0.0007045300000000, -0.0004653200000000 ] - [ -0.0007587700000000, 0.0003278900000000, 0.0005296400000000 ] - [ 0.0007264300000000, 0.0000000000000000, -0.0000512800000000 ] - [ -0.0001294600000000, 0.0000000000000000, 0.0002157800000000 ] - [ -0.0002314900000000, 0.0000000000000000, -0.0001245200000000 ] - [ -0.0003876000000000, 0.0000000000000000, -0.0000213800000000 ] - [ -0.0002601100000000, -0.0000188000000000, -0.0000832000000000 ] - [ -0.0003618500000000, 0.0000149900000000, -0.0000434600000000 ] - [ -0.0002601100000000, 0.0000188000000000, -0.0000832000000000 ] - [ -0.0003618500000000, -0.0000149900000000, -0.0000434600000000 ] - [ -0.0010600600000000, 0.0007636400000000, 0.0000993700000000 ] - [ 0.0045663700000000, 0.0025205500000000, -0.0007609600000000 ] - [ -0.0010600600000000, -0.0007636400000000, 0.0000993700000000 ] - [ 0.0045663700000000, -0.0025205500000000, -0.0007609600000000 ] - [ -0.0000235200000000, 0.0000000000000000, -0.0000176700000000 ] - [ 0.0006455900000000, 0.0000000000000000, 0.0000256200000000 ] - [ -0.0001059500000000, 0.0000000000000000, -0.0000484600000000 ] - [ -0.0005287300000000, 0.0000000000000000, -0.0000322400000000 ] - [ -0.0001335700000000, 0.0000482000000000, 0.0000033200000000 ] - [ -0.0004829900000000, -0.0000210500000000, -0.0000293700000000 ] - [ -0.0001335700000000, -0.0000482000000000, 0.0000033200000000 ] - [ -0.0004829900000000, 0.0000210500000000, -0.0000293700000000 ] - [ 0.0028077800000000, 0.0000000000000000, -0.0006801200000000 ] - [ -0.0013377700000000, 0.0000000000000000, 0.0000214600000000 ] - [ 0.0004568200000000, -0.0000375100000000, 0.0007809300000000 ] - [ -0.0006415400000000, -0.0000123000000000, 0.0003755600000000 ] - [ 0.0004568200000000, 0.0000375100000000, 0.0007809300000000 ] - [ -0.0006415400000000, 0.0000123000000000, 0.0003755600000000 ] - [ 0.0001449400000000, 0.0000544500000000, -0.0005908300000000 ] - [ 0.0003398100000000, -0.0000390400000000, -0.0004576200000000 ] - [ 0.0001449400000000, -0.0000544500000000, -0.0005908300000000 ] - [ 0.0003398100000000, 0.0000390400000000, -0.0004576200000000 ] - [ 0.0001637400000000, 0.0000000000000000, -0.0005569000000000 ] - [ 0.0003263700000000, 0.0000000000000000, -0.0004868600000000 ] - [ 0.0102900900000000, 0.0000000000000000, -0.0036645200000000 ] - [ -0.0019980400000000, 0.0000000000000000, -0.0014213500000000 ] - [ -0.0002089100000000, -0.0009673800000000, -0.0002706000000000 ] - [ -0.0008277300000000, 0.0008666200000000, -0.0005628700000000 ] - [ -0.0002089100000000, 0.0009673800000000, -0.0002706000000000 ] - [ -0.0008277300000000, -0.0008666200000000, -0.0005628700000000 ] - [ 0.0005540300000000, -0.0000499500000000, 0.0006340000000000 ] - [ -0.0000229500000000, -0.0000349600000000, 0.0004015700000000 ] - [ 0.0005540300000000, 0.0000499500000000, 0.0006340000000000 ] - [ -0.0000229500000000, 0.0000349600000000, 0.0004015700000000 ] - [ 0.0004025700000000, 0.0000000000000000, 0.0005127500000000 ] - [ 0.0000736200000000, 0.0000000000000000, 0.0004376200000000 ] - [ 0.0008623000000000, 0.0000000000000000, 0.0003145200000000 ] - [ 0.0001465700000000, 0.0000000000000000, 0.0002558500000000 ] - [ 0.0006816300000000, -0.0000734600000000, 0.0001944200000000 ] - [ 0.0002581300000000, -0.0000108600000000, 0.0002693700000000 ] - [ 0.0006816300000000, 0.0000734600000000, 0.0001944200000000 ] - [ 0.0002581300000000, 0.0000108600000000, 0.0002693700000000 ] - [ -0.0008033000000000, 0.0001517100000000, -0.0005375900000000 ] - [ -0.0001152200000000, -0.0002009700000000, 0.0001910300000000 ] - [ -0.0008033000000000, -0.0001517100000000, -0.0005375900000000 ] - [ -0.0001152200000000, 0.0002009700000000, 0.0001910300000000 ] - [ -0.0006330200000000, 0.0000000000000000, -0.0003126400000000 ] - [ -0.0002754300000000, 0.0000000000000000, -0.0001615500000000 ] - [ 0.0008387300000000, 0.0000000000000000, 0.0011102500000000 ] - [ -0.0003852400000000, 0.0000000000000000, -0.0011295400000000 ] - [ 0.0007905600000000, -0.0003814400000000, 0.0002049500000000 ] - [ 0.0000252500000000, 0.0004426500000000, -0.0007252300000000 ] - [ 0.0007905600000000, 0.0003814400000000, 0.0002049500000000 ] - [ 0.0000252500000000, -0.0004426500000000, -0.0007252300000000 ] - [ 0.0011227500000000, 0.0007178300000000, 0.0016776600000000 ] - [ -0.0016099400000000, -0.0001344000000000, -0.0001367200000000 ] - [ 0.0011227500000000, -0.0007178300000000, 0.0016776600000000 ] - [ -0.0016099400000000, 0.0001344000000000, -0.0001367200000000 ] - [ 0.0000652600000000, 0.0000000000000000, 0.0004003400000000 ] - [ -0.0009683700000000, 0.0000000000000000, 0.0000776800000000 ] - [ -0.0006544100000000, 0.0000471900000000, 0.0004877000000000 ] - [ 0.0010616500000000, -0.0003937600000000, -0.0008104700000000 ] - [ -0.0006544100000000, -0.0000471900000000, 0.0004877000000000 ] - [ 0.0010616500000000, 0.0003937600000000, -0.0008104700000000 ] - [ -0.0002229200000000, 0.0000000000000000, 0.0001977300000000 ] - [ 0.0005708700000000, 0.0000000000000000, -0.0003172500000000 ] - [ 0.0042466800000000, 0.0000000000000000, 0.0033498200000000 ] - [ -0.0015305100000000, 0.0000000000000000, 0.0006795800000000 ] - [ 0.0006274600000000, 0.0006628300000000, -0.0005680000000000 ] - [ -0.0009164400000000, -0.0004018100000000, 0.0002613300000000 ] - [ 0.0006274600000000, -0.0006628300000000, -0.0005680000000000 ] - [ -0.0009164400000000, 0.0004018100000000, 0.0002613300000000 ] - [ 0.0001888200000000, 0.0001101000000000, -0.0001468600000000 ] - [ 0.0000521900000000, -0.0000593200000000, 0.0000583600000000 ] - [ 0.0001888200000000, -0.0001101000000000, -0.0001468600000000 ] - [ 0.0000521900000000, 0.0000593200000000, 0.0000583600000000 ] - [ 0.0002221900000000, 0.0000000000000000, -0.0000510600000000 ] - [ 0.0000776600000000, 0.0000000000000000, 0.0000217400000000 ] - [ 0.0003041200000000, 0.0000000000000000, -0.0010028500000000 ] - [ -0.0007103700000000, 0.0000000000000000, 0.0005657500000000 ] - [ 0.0000041600000000, -0.0002231700000000, -0.0003318900000000 ] - [ -0.0003613400000000, 0.0000518600000000, 0.0001718900000000 ] - [ 0.0000041600000000, 0.0002231700000000, -0.0003318900000000 ] - [ -0.0003613400000000, -0.0000518600000000, 0.0001718900000000 ] - [ -0.0434433400000000, 0.0000000000000000, -0.0019335000000000 ] - [ 0.0015370400000000, 0.0000000000000000, 0.0001824100000000 ] - [ -0.0021611100000000, -0.0000363900000000, -0.0000762300000000 ] - [ 0.0006596300000000, 0.0000350000000000, 0.0002119400000000 ] - [ -0.0021611100000000, 0.0000363900000000, -0.0000762300000000 ] - [ 0.0006596300000000, -0.0000350000000000, 0.0002119400000000 ] - [ 0.0001721500000000, -0.0000436400000000, -0.0003182900000000 ] - [ 0.0001120900000000, 0.0000477700000000, 0.0000594400000000 ] - [ 0.0001721500000000, 0.0000436400000000, -0.0003182900000000 ] - [ 0.0001120900000000, -0.0000477700000000, 0.0000594400000000 ] - [ 0.0001662700000000, 0.0000000000000000, -0.0002452900000000 ] - [ 0.0000919900000000, 0.0000000000000000, -0.0000481200000000 ] - [ 0.0055734900000000, 0.0000000000000000, 0.0036362600000000 ] - [ 0.0055142500000000, 0.0000000000000000, -0.0041544300000000 ] - [ 0.0002311100000000, 0.0007474400000000, 0.0001483700000000 ] - [ 0.0002351900000000, -0.0007767600000000, -0.0008294400000000 ] - [ 0.0002311100000000, -0.0007474400000000, 0.0001483700000000 ] - [ 0.0002351900000000, 0.0007767600000000, -0.0008294400000000 ] - [ -0.0000323000000000, 0.0000008400000000, 0.0002560300000000 ] - [ 0.0002677000000000, 0.0000024700000000, 0.0002088200000000 ] - [ -0.0000323000000000, -0.0000008400000000, 0.0002560300000000 ] - [ 0.0002677000000000, -0.0000024700000000, 0.0002088200000000 ] - [ 0.0000088700000000, 0.0000000000000000, 0.0002307800000000 ] - [ 0.0002350300000000, 0.0000000000000000, 0.0002082800000000 ] - [ -0.0031145900000000, 0.0003470600000000, 0.0016620500000000 ] - [ 0.0015370900000000, -0.0000414000000000, 0.0000938600000000 ] - [ -0.0031145900000000, -0.0003470600000000, 0.0016620500000000 ] - [ 0.0015370900000000, 0.0000414000000000, 0.0000938600000000 ] - [ -0.0007248900000000, 0.0000000000000000, 0.0004785800000000 ] - [ 0.0008395300000000, 0.0000000000000000, 0.0002498300000000 ] - [ 0.0002938000000000, 0.0000000000000000, 0.0004109200000000 ] - [ -0.0002795500000000, 0.0000000000000000, -0.0010181700000000 ] - [ 0.0000784000000000, 0.0001961700000000, -0.0000734900000000 ] - [ -0.0002470200000000, -0.0001611500000000, -0.0006097600000000 ] - [ 0.0000784000000000, -0.0001961700000000, -0.0000734900000000 ] - [ -0.0002470200000000, 0.0001611500000000, -0.0006097600000000 ] - [ 0.0033277700000000, -0.0038914800000000, -0.0044778900000000 ] - [ 0.0036968900000000, 0.0035232100000000, 0.0049329700000000 ] - [ 0.0033277700000000, 0.0038914800000000, -0.0044778900000000 ] - [ 0.0036968900000000, -0.0035232100000000, 0.0049329700000000 ] - [ 0.0004160600000000, 0.0000000000000000, -0.0010792400000000 ] - [ 0.0001340600000000, 0.0000000000000000, 0.0002939500000000 ] - [ -0.0043269700000000, 0.0000000000000000, 0.0004788800000000 ] - [ 0.0019941800000000, 0.0000000000000000, 0.0005718700000000 ] - [ -0.0018233300000000, 0.0002028300000000, 0.0002861900000000 ] - [ 0.0012451600000000, -0.0000543100000000, 0.0005206600000000 ] - [ -0.0018233300000000, -0.0002028300000000, 0.0002861900000000 ] - [ 0.0012451600000000, 0.0000543100000000, 0.0005206600000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0028310200000000, 0.0006488900000000, 0.0005599000000000 ] - [ 0.0013919100000000, 0.0003318900000000, -0.0004907500000000 ] - [ -0.0028310200000000, -0.0006488900000000, 0.0005599000000000 ] - [ 0.0013919100000000, -0.0003318900000000, -0.0004907500000000 ] - [ -0.0000916500000000, 0.0000000000000000, 0.0000921600000000 ] - [ 0.0007600500000000, 0.0000000000000000, -0.0001753800000000 ] - [ -0.0003988100000000, 0.0000000000000000, 0.0000836300000000 ] - [ -0.0002459600000000, 0.0000000000000000, -0.0000177800000000 ] - [ -0.0003707600000000, 0.0000190600000000, 0.0000420100000000 ] - [ -0.0002704600000000, -0.0000149600000000, 0.0000018600000000 ] - [ -0.0003707600000000, -0.0000190600000000, 0.0000420100000000 ] - [ -0.0002704600000000, 0.0000149600000000, 0.0000018600000000 ] - [ 0.0016855400000000, -0.0007565600000000, -0.0001387800000000 ] - [ -0.0041539300000000, -0.0027493100000000, 0.0006803000000000 ] - [ 0.0016855400000000, 0.0007565600000000, -0.0001387800000000 ] - [ -0.0041539300000000, 0.0027493100000000, 0.0006803000000000 ] - [ 0.0006556900000000, 0.0000000000000000, -0.0000267000000000 ] - [ -0.0000181000000000, 0.0000000000000000, -0.0000705900000000 ] - [ -0.0005259900000000, 0.0000000000000000, 0.0000916100000000 ] - [ -0.0001024500000000, 0.0000000000000000, 0.0000764900000000 ] - [ -0.0004983000000000, -0.0000481300000000, 0.0000395700000000 ] - [ -0.0001480900000000, 0.0000209000000000, 0.0000734200000000 ] - [ -0.0004983000000000, 0.0000481300000000, 0.0000395700000000 ] - [ -0.0001480900000000, -0.0000209000000000, 0.0000734200000000 ] - [ -0.0032965500000000, 0.0000000000000000, 0.0017257700000000 ] - [ 0.0008361100000000, 0.0000000000000000, 0.0009643400000000 ] - [ -0.0009558500000000, 0.0000417400000000, 0.0002117800000000 ] - [ 0.0001455100000000, 0.0000106900000000, 0.0006149700000000 ] - [ -0.0009558500000000, -0.0000417400000000, 0.0002117800000000 ] - [ 0.0001455100000000, -0.0000106900000000, 0.0006149700000000 ] - [ 0.0003526400000000, -0.0000544200000000, -0.0004005400000000 ] - [ 0.0001556200000000, 0.0000384800000000, -0.0005328800000000 ] - [ 0.0003526400000000, 0.0000544200000000, -0.0004005400000000 ] - [ 0.0001556200000000, -0.0000384800000000, -0.0005328800000000 ] - [ 0.0003339800000000, 0.0000000000000000, -0.0004336900000000 ] - [ 0.0001689000000000, 0.0000000000000000, -0.0005046600000000 ] - [ -0.0101820100000000, 0.0000000000000000, 0.0023477000000000 ] - [ 0.0015128000000000, 0.0000000000000000, 0.0004407200000000 ] - [ -0.0002829400000000, 0.0009627700000000, -0.0007228300000000 ] - [ 0.0003290200000000, -0.0008674200000000, -0.0004304300000000 ] - [ -0.0002829400000000, -0.0009627700000000, -0.0007228300000000 ] - [ 0.0003290200000000, 0.0008674200000000, -0.0004304300000000 ] - [ -0.0000570100000000, 0.0000499100000000, 0.0003582200000000 ] - [ 0.0005176600000000, 0.0000355000000000, 0.0005923600000000 ] - [ -0.0000570100000000, -0.0000499100000000, 0.0003582200000000 ] - [ 0.0005176600000000, -0.0000355000000000, 0.0005923600000000 ] - [ 0.0000945300000000, 0.0000000000000000, 0.0004795500000000 ] - [ 0.0004211100000000, 0.0000000000000000, 0.0005560100000000 ] - [ 0.0000443300000000, 0.0000000000000000, 0.0001848100000000 ] - [ 0.0007633200000000, 0.0000000000000000, 0.0002342100000000 ] - [ 0.0002249100000000, 0.0000755900000000, 0.0003000700000000 ] - [ 0.0006514200000000, 0.0000101600000000, 0.0002216300000000 ] - [ 0.0002249100000000, -0.0000755900000000, 0.0003000700000000 ] - [ 0.0006514200000000, -0.0000101600000000, 0.0002216300000000 ] - [ -0.0001027500000000, -0.0001505700000000, 0.0000432100000000 ] - [ -0.0007999300000000, 0.0001990400000000, -0.0006811700000000 ] - [ -0.0001027500000000, 0.0001505700000000, 0.0000432100000000 ] - [ -0.0007999300000000, -0.0001990400000000, -0.0006811700000000 ] - [ -0.0002737300000000, 0.0000000000000000, -0.0001798100000000 ] - [ -0.0006355900000000, 0.0000000000000000, -0.0003293200000000 ] - [ 0.0000728400000000, 0.0000000000000000, -0.0015955000000000 ] - [ 0.0012904700000000, 0.0000000000000000, 0.0006403900000000 ] - [ 0.0001206000000000, 0.0003805300000000, -0.0006952400000000 ] - [ 0.0008818400000000, -0.0004441700000000, 0.0002337500000000 ] - [ 0.0001206000000000, -0.0003805300000000, -0.0006952400000000 ] - [ 0.0008818400000000, 0.0004441700000000, 0.0002337500000000 ] - [ -0.0020171700000000, -0.0007187500000000, -0.0011901700000000 ] - [ 0.0007017600000000, 0.0001363500000000, 0.0006305200000000 ] - [ -0.0020171700000000, 0.0007187500000000, -0.0011901700000000 ] - [ 0.0007017600000000, -0.0001363500000000, 0.0006305200000000 ] - [ -0.0009713800000000, 0.0000000000000000, 0.0000912300000000 ] - [ 0.0000587000000000, 0.0000000000000000, 0.0004138700000000 ] - [ 0.0009571600000000, -0.0000466600000000, -0.0005043100000000 ] - [ -0.0007594700000000, 0.0003928700000000, 0.0007915700000000 ] - [ 0.0009571600000000, 0.0000466600000000, -0.0005043100000000 ] - [ -0.0007594700000000, -0.0003928700000000, 0.0007915700000000 ] - [ 0.0005274800000000, 0.0000000000000000, -0.0002166000000000 ] - [ -0.0002672000000000, 0.0000000000000000, 0.0002980900000000 ] - [ -0.0046129900000000, 0.0000000000000000, -0.0034801600000000 ] - [ 0.0012263200000000, 0.0000000000000000, -0.0006575500000000 ] - [ -0.0009349000000000, -0.0006637100000000, 0.0005864700000000 ] - [ 0.0006111900000000, 0.0003992000000000, -0.0002409700000000 ] - [ -0.0009349000000000, 0.0006637100000000, 0.0005864700000000 ] - [ 0.0006111900000000, -0.0003992000000000, -0.0002409700000000 ] - [ 0.0001203900000000, -0.0001100900000000, 0.0001692700000000 ] - [ 0.0002498600000000, 0.0000594500000000, -0.0000395500000000 ] - [ 0.0001203900000000, 0.0001100900000000, 0.0001692700000000 ] - [ 0.0002498600000000, -0.0000594500000000, -0.0000395500000000 ] - [ 0.0000844700000000, 0.0000000000000000, 0.0000723500000000 ] - [ 0.0002257100000000, 0.0000000000000000, -0.0000028400000000 ] - [ -0.0005985900000000, 0.0000000000000000, 0.0009842600000000 ] - [ 0.0004044000000000, 0.0000000000000000, -0.0005909700000000 ] - [ -0.0003043800000000, 0.0002263500000000, 0.0003145700000000 ] - [ 0.0000543300000000, -0.0000526600000000, -0.0001925900000000 ] - [ -0.0003043800000000, -0.0002263500000000, 0.0003145700000000 ] - [ 0.0000543300000000, 0.0000526600000000, -0.0001925900000000 ] - [ 0.0429952300000000, 0.0000000000000000, 0.0026955600000000 ] - [ -0.0017854400000000, 0.0000000000000000, 0.0001863500000000 ] - [ 0.0019122600000000, 0.0000180000000000, 0.0004484000000000 ] - [ -0.0009075300000000, -0.0000327900000000, 0.0001575000000000 ] - [ 0.0019122600000000, -0.0000180000000000, 0.0004484000000000 ] - [ -0.0009075300000000, 0.0000327900000000, 0.0001575000000000 ] - [ 0.0000756500000000, 0.0000434100000000, -0.0000521700000000 ] - [ 0.0001378500000000, -0.0000477000000000, -0.0004293800000000 ] - [ 0.0000756500000000, -0.0000434100000000, -0.0000521700000000 ] - [ 0.0001378500000000, 0.0000477000000000, -0.0004293800000000 ] - [ 0.0000817800000000, 0.0000000000000000, -0.0001246800000000 ] - [ 0.0001577700000000, 0.0000000000000000, -0.0003214700000000 ] - [ -0.0057611300000000, 0.0000000000000000, -0.0039450200000000 ] - [ -0.0058204500000000, 0.0000000000000000, 0.0038414900000000 ] - [ -0.0004849900000000, -0.0007446000000000, -0.0005129800000000 ] - [ -0.0004810100000000, 0.0007795900000000, 0.0004620800000000 ] - [ -0.0004849900000000, 0.0007446000000000, -0.0005129800000000 ] - [ -0.0004810100000000, -0.0007795900000000, 0.0004620800000000 ] - [ 0.0002809900000000, -0.0000005900000000, 0.0001107900000000 ] - [ -0.0000182400000000, -0.0000025200000000, 0.0001587800000000 ] - [ 0.0002809900000000, 0.0000005900000000, 0.0001107900000000 ] - [ -0.0000182400000000, 0.0000025200000000, 0.0001587800000000 ] - [ 0.0002399700000000, 0.0000000000000000, 0.0001365200000000 ] - [ 0.0000142600000000, 0.0000000000000000, 0.0001593100000000 ] - [ 0.0033422000000000, -0.0003258200000000, -0.0008817600000000 ] - [ -0.0013037800000000, 0.0000365200000000, 0.0007277800000000 ] - [ 0.0033422000000000, 0.0003258200000000, -0.0008817600000000 ] - [ -0.0013037800000000, -0.0000365200000000, 0.0007277800000000 ] - [ 0.0009572100000000, 0.0000000000000000, 0.0003310600000000 ] - [ -0.0006060600000000, 0.0000000000000000, 0.0005665300000000 ] - [ -0.0005346400000000, 0.0000000000000000, -0.0012243300000000 ] - [ 0.0000573200000000, 0.0000000000000000, 0.0002022400000000 ] - [ -0.0003174100000000, -0.0001962200000000, -0.0007417000000000 ] - [ 0.0000195400000000, 0.0001604100000000, -0.0002053500000000 ] - [ -0.0003174100000000, 0.0001962200000000, -0.0007417000000000 ] - [ 0.0000195400000000, -0.0001604100000000, -0.0002053500000000 ] - [ -0.0030843900000000, 0.0038674300000000, 0.0036343400000000 ] - [ -0.0034650300000000, -0.0035501400000000, -0.0057706800000000 ] - [ -0.0030843900000000, -0.0038674300000000, 0.0036343400000000 ] - [ -0.0034650300000000, 0.0035501400000000, -0.0057706800000000 ] - [ -0.0001870900000000, 0.0000000000000000, 0.0002655500000000 ] - [ 0.0001047400000000, 0.0000000000000000, -0.0011044700000000 ] - [ 0.0040870500000000, 0.0000000000000000, 0.0003479300000000 ] - [ -0.0022256900000000, 0.0000000000000000, 0.0002346800000000 ] - [ 0.0015888100000000, -0.0002046100000000, 0.0005283900000000 ] - [ -0.0014768300000000, 0.0000566100000000, 0.0002892700000000 ] - [ 0.0015888100000000, 0.0002046100000000, 0.0005283900000000 ] - [ -0.0014768300000000, -0.0000566100000000, 0.0002892700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009985900000000, 0.0034371400000000, 0.0000943200000000 ] - [ 0.0001072300000000, 0.0001694900000000, 0.0002156700000000 ] - [ 0.0017218200000000, 0.0035739800000000, 0.0000934100000000 ] - [ 0.0005239500000000, 0.0001714900000000, -0.0001731000000000 ] - [ 0.0003143700000000, -0.0011629700000000, 0.0000157400000000 ] - [ 0.0003164700000000, -0.0003263900000000, 0.0000202300000000 ] - [ -0.0003155800000000, 0.0001069600000000, -0.0000209700000000 ] - [ -0.0003162700000000, 0.0000690600000000, -0.0000202700000000 ] - [ -0.0003220300000000, -0.0000534000000000, -0.0000531100000000 ] - [ -0.0002861700000000, -0.0000345200000000, -0.0000530800000000 ] - [ -0.0003089400000000, -0.0000538800000000, 0.0000105700000000 ] - [ -0.0003450200000000, -0.0000349200000000, 0.0000100100000000 ] - [ 0.0007720300000000, 0.0002135400000000, -0.0000682500000000 ] - [ 0.0023545700000000, 0.0045407300000000, -0.0010368500000000 ] - [ -0.0001389800000000, 0.0002188100000000, 0.0000277700000000 ] - [ -0.0019392300000000, 0.0047105300000000, 0.0009739100000000 ] - [ 0.0003146200000000, -0.0004571800000000, -0.0000213900000000 ] - [ 0.0003204600000000, -0.0012263500000000, -0.0000192100000000 ] - [ -0.0003163700000000, 0.0001510900000000, 0.0000198000000000 ] - [ -0.0003157800000000, 0.0000804300000000, 0.0000206300000000 ] - [ -0.0002271100000000, -0.0000740700000000, 0.0002499900000000 ] - [ -0.0003122700000000, -0.0000398600000000, 0.0000774400000000 ] - [ -0.0004044000000000, -0.0000748700000000, -0.0002075800000000 ] - [ -0.0003192600000000, -0.0000403500000000, -0.0000354100000000 ] - [ -0.0002406400000000, 0.0027083600000000, 0.0004803900000000 ] - [ -0.0002471100000000, 0.0002240900000000, 0.0004966500000000 ] - [ -0.0002251400000000, -0.0011037200000000, -0.0005210100000000 ] - [ -0.0003933100000000, -0.0001147800000000, 0.0003509900000000 ] - [ -0.0002722400000000, -0.0011030000000000, 0.0015029800000000 ] - [ -0.0001037500000000, -0.0001158500000000, 0.0006399300000000 ] - [ 0.0002716700000000, 0.0000786100000000, -0.0004757700000000 ] - [ 0.0002035900000000, 0.0000905100000000, -0.0004589700000000 ] - [ 0.0002247900000000, 0.0000793800000000, -0.0005158900000000 ] - [ 0.0002927400000000, 0.0000915900000000, -0.0005324900000000 ] - [ 0.0002484200000000, -0.0001558100000000, -0.0004955200000000 ] - [ 0.0002480500000000, -0.0001801000000000, -0.0004961800000000 ] - [ -0.0002620700000000, 0.0018613000000000, -0.0004932200000000 ] - [ -0.0002492400000000, 0.0015989500000000, -0.0004964600000000 ] - [ -0.0012100500000000, -0.0009441600000000, 0.0001971100000000 ] - [ 0.0000965400000000, -0.0007459500000000, -0.0002196200000000 ] - [ 0.0007051100000000, -0.0009446200000000, -0.0011821800000000 ] - [ -0.0005918500000000, -0.0007504300000000, -0.0007714200000000 ] - [ 0.0002533800000000, 0.0002554100000000, 0.0001528800000000 ] - [ 0.0002152000000000, 0.0000922600000000, 0.0004582100000000 ] - [ 0.0002429500000000, 0.0002590300000000, 0.0008388100000000 ] - [ 0.0002805000000000, 0.0000933100000000, 0.0005333900000000 ] - [ 0.0002481800000000, -0.0005115200000000, 0.0004961300000000 ] - [ 0.0002478100000000, -0.0001884100000000, 0.0004961100000000 ] - [ 0.0004544400000000, 0.0006973600000000, 0.0002469100000000 ] - [ 0.0004543300000000, 0.0001376700000000, 0.0002460200000000 ] - [ 0.0005523600000000, -0.0003557300000000, -0.0000069000000000 ] - [ 0.0004310700000000, -0.0000675500000000, 0.0002239100000000 ] - [ 0.0003564400000000, -0.0003575100000000, 0.0004971000000000 ] - [ 0.0004775400000000, -0.0000681600000000, 0.0002678200000000 ] - [ -0.0003341300000000, 0.0001047700000000, -0.0001013400000000 ] - [ -0.0008214200000000, 0.0001862100000000, 0.0000964800000000 ] - [ -0.0005743400000000, 0.0001059100000000, -0.0003901300000000 ] - [ -0.0000874300000000, 0.0001890400000000, -0.0005884600000000 ] - [ -0.0004544600000000, -0.0002120700000000, -0.0002462400000000 ] - [ -0.0004534400000000, -0.0003677900000000, -0.0002468700000000 ] - [ 0.0004548700000000, 0.0007293200000000, -0.0002480700000000 ] - [ 0.0004522900000000, 0.0007405800000000, -0.0002464300000000 ] - [ 0.0002201500000000, -0.0003680700000000, -0.0000644800000000 ] - [ 0.0006669800000000, -0.0003790400000000, -0.0000471900000000 ] - [ 0.0006872900000000, -0.0003712500000000, -0.0004263600000000 ] - [ 0.0002421100000000, -0.0003809900000000, -0.0004440800000000 ] - [ 0.0003237000000000, 0.0000027700000000, -0.0019844700000000 ] - [ -0.0008311100000000, 0.0001348900000000, 0.0000957200000000 ] - [ -0.0012315400000000, 0.0000229300000000, 0.0024715200000000 ] - [ -0.0000769900000000, 0.0001361900000000, 0.0003956200000000 ] - [ -0.0004546400000000, -0.0007643500000000, 0.0002484400000000 ] - [ -0.0004534700000000, -0.0002673800000000, 0.0002461300000000 ] - [ 0.0003182100000000, 0.0000881100000000, -0.0001785600000000 ] - [ 0.0002171800000000, 0.0003080700000000, -0.0004286400000000 ] - [ -0.0000125700000000, 0.0000892700000000, 0.0001577100000000 ] - [ 0.0000869000000000, 0.0003137000000000, 0.0004076400000000 ] - [ 0.0001517000000000, -0.0001800200000000, -0.0000096600000000 ] - [ 0.0001518000000000, -0.0005926900000000, -0.0000087300000000 ] - [ -0.0001460900000000, 0.0020105800000000, 0.0000256500000000 ] - [ -0.0001500700000000, 0.0004774600000000, 0.0000087800000000 ] - [ 0.0002834900000000, -0.0009216500000000, 0.0008232900000000 ] - [ -0.0002666800000000, -0.0002353800000000, 0.0001346300000000 ] - [ -0.0005833300000000, -0.0009215300000000, -0.0007957700000000 ] - [ -0.0000376500000000, -0.0002385100000000, -0.0001141100000000 ] - [ 0.0004585200000000, 0.0001216400000000, 0.0002710300000000 ] - [ 0.0001373200000000, 0.0000660800000000, 0.0000589200000000 ] - [ -0.0001536300000000, 0.0001225800000000, -0.0002513500000000 ] - [ 0.0001672400000000, 0.0000668600000000, -0.0000385800000000 ] - [ 0.0001517600000000, -0.0002422100000000, 0.0000094300000000 ] - [ 0.0001524800000000, -0.0001322000000000, 0.0000097200000000 ] - [ -0.0001521800000000, 0.0011187100000000, -0.0000084900000000 ] - [ -0.0001529300000000, 0.0001828600000000, -0.0000093100000000 ] - [ -0.0003024100000000, -0.0005274000000000, -0.0004917400000000 ] - [ -0.0000387200000000, -0.0000922000000000, -0.0001352800000000 ] - [ -0.0000031500000000, -0.0005304700000000, 0.0004705400000000 ] - [ -0.0002655700000000, -0.0000929900000000, 0.0001147400000000 ] - [ 0.0000117600000000, -0.0246565400000000, 0.0000566600000000 ] - [ -0.0001251300000000, -0.0003263500000000, 0.0001841800000000 ] - [ -0.0000970800000000, 0.0053871700000000, 0.0001040200000000 ] - [ -0.0001585500000000, 0.0001617200000000, 0.0001964300000000 ] - [ -0.0001513800000000, 0.0053302900000000, 0.0002633000000000 ] - [ -0.0000907300000000, 0.0001630500000000, 0.0001720500000000 ] - [ 0.0000808100000000, -0.0000531000000000, -0.0001251100000000 ] - [ 0.0001724900000000, -0.0000648400000000, -0.0000903300000000 ] - [ 0.0001678800000000, -0.0000537800000000, -0.0002430300000000 ] - [ 0.0000770000000000, -0.0000656900000000, -0.0002779500000000 ] - [ 0.0001245400000000, 0.0001065200000000, -0.0001844500000000 ] - [ 0.0001245100000000, 0.0001301200000000, -0.0001844800000000 ] - [ -0.0001359400000000, -0.0022059000000000, -0.0001918200000000 ] - [ -0.0001149500000000, -0.0022058700000000, -0.0001886700000000 ] - [ 0.0006561200000000, 0.0007517000000000, 0.0000763000000000 ] - [ -0.0008736800000000, 0.0007521300000000, 0.0002918500000000 ] - [ -0.0009002200000000, 0.0007527300000000, -0.0004422600000000 ] - [ 0.0006184600000000, 0.0007522300000000, -0.0006585100000000 ] - [ 0.0001252300000000, -0.0000637600000000, 0.0001781500000000 ] - [ 0.0001271000000000, -0.0000296100000000, 0.0001886600000000 ] - [ 0.0001238100000000, -0.0000644700000000, 0.0001909900000000 ] - [ 0.0001220800000000, -0.0000299800000000, 0.0001800800000000 ] - [ 0.0001245900000000, 0.0001289300000000, 0.0001844800000000 ] - [ 0.0001245200000000, 0.0000598800000000, 0.0001843100000000 ] - [ 0.0009530900000000, -0.0008405300000000, -0.0044433800000000 ] - [ 0.0001389400000000, -0.0002668800000000, 0.0001749200000000 ] - [ -0.0007181200000000, -0.0008596500000000, 0.0052659100000000 ] - [ 0.0000936000000000, -0.0002702600000000, 0.0006375200000000 ] - [ 0.0001172800000000, 0.0022953700000000, 0.0004131900000000 ] - [ 0.0001161900000000, 0.0005359800000000, 0.0004074900000000 ] - [ -0.0001170100000000, -0.0005995500000000, -0.0004076400000000 ] - [ -0.0001159000000000, -0.0006317100000000, -0.0004075100000000 ] - [ 0.0001490000000000, 0.0002993900000000, -0.0000717000000000 ] - [ -0.0003440100000000, 0.0003149800000000, -0.0000946100000000 ] - [ -0.0003813100000000, 0.0003016600000000, -0.0007404100000000 ] - [ 0.0001097100000000, 0.0003173600000000, -0.0007164900000000 ] - [ -0.0024119700000000, -0.0007820000000000, 0.0009578800000000 ] - [ 0.0035119800000000, -0.0007798100000000, 0.0034983800000000 ] - [ 0.0026422100000000, -0.0008113100000000, -0.0017674500000000 ] - [ -0.0032831500000000, -0.0008024500000000, -0.0043201400000000 ] - [ 0.0001201900000000, 0.0019674200000000, -0.0004101000000000 ] - [ 0.0001117700000000, 0.0022839400000000, -0.0004105200000000 ] - [ -0.0001190700000000, -0.0031857500000000, 0.0004221400000000 ] - [ -0.0001169500000000, -0.0006347600000000, 0.0004078900000000 ] - [ -0.0001035500000000, 0.0014627000000000, -0.0011283700000000 ] - [ -0.0002154500000000, 0.0003158800000000, 0.0001520800000000 ] - [ -0.0001275100000000, 0.0014693100000000, 0.0019335600000000 ] - [ -0.0000184500000000, 0.0003187000000000, 0.0006608500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0010108100000000, -0.0010102000000000, 0.0028318800000000 ] - [ 0.0005060200000000, 0.0002105100000000, 0.0004896800000000 ] - [ 0.0010108100000000, 0.0010102000000000, 0.0028318800000000 ] - [ 0.0005060200000000, -0.0002105100000000, 0.0004896800000000 ] - [ 0.0001960200000000, 0.0000000000000000, 0.0006678000000000 ] - [ 0.0002995700000000, 0.0000000000000000, 0.0004457600000000 ] - [ -0.0001547800000000, 0.0000000000000000, -0.0009564000000000 ] - [ -0.0001363500000000, 0.0000000000000000, -0.0008670300000000 ] - [ -0.0001961200000000, -0.0000196800000000, -0.0007485900000000 ] - [ -0.0001765800000000, 0.0000041000000000, -0.0006859100000000 ] - [ -0.0001961200000000, 0.0000196800000000, -0.0007485900000000 ] - [ -0.0001765800000000, -0.0000041000000000, -0.0006859100000000 ] - [ 0.0005913900000000, -0.0000917800000000, 0.0014368300000000 ] - [ 0.0005477900000000, -0.0000634400000000, 0.0031022200000000 ] - [ 0.0005913900000000, 0.0000917800000000, 0.0014368300000000 ] - [ 0.0005477900000000, 0.0000634400000000, 0.0031022200000000 ] - [ 0.0004150500000000, 0.0000000000000000, 0.0007855500000000 ] - [ 0.0005418000000000, 0.0000000000000000, 0.0008268700000000 ] - [ -0.0008427200000000, 0.0000000000000000, -0.0015925800000000 ] - [ -0.0003548800000000, 0.0000000000000000, -0.0005502500000000 ] - [ -0.0005325000000000, 0.0001046400000000, -0.0008527100000000 ] - [ -0.0003588800000000, 0.0000363500000000, -0.0004473200000000 ] - [ -0.0005325000000000, -0.0001046400000000, -0.0008527100000000 ] - [ -0.0003588800000000, -0.0000363500000000, -0.0004473200000000 ] - [ -0.0027209400000000, 0.0000000000000000, 0.0067830300000000 ] - [ -0.0005751700000000, 0.0000000000000000, 0.0005551600000000 ] - [ 0.0001845400000000, -0.0011958800000000, 0.0006677100000000 ] - [ -0.0003332100000000, -0.0001056200000000, 0.0006886400000000 ] - [ 0.0001845400000000, 0.0011958800000000, 0.0006677100000000 ] - [ -0.0003332100000000, 0.0001056200000000, 0.0006886400000000 ] - [ 0.0000388500000000, 0.0001192900000000, -0.0010065300000000 ] - [ 0.0002519800000000, 0.0001364100000000, -0.0011757300000000 ] - [ 0.0000388500000000, -0.0001192900000000, -0.0010065300000000 ] - [ 0.0002519800000000, -0.0001364100000000, -0.0011757300000000 ] - [ 0.0000944600000000, 0.0000000000000000, -0.0009137200000000 ] - [ 0.0002127200000000, 0.0000000000000000, -0.0009890900000000 ] - [ -0.0047002600000000, 0.0000000000000000, 0.0028467900000000 ] - [ -0.0012411800000000, 0.0000000000000000, 0.0004991000000000 ] - [ -0.0001675400000000, 0.0005329800000000, 0.0003141200000000 ] - [ -0.0005418300000000, 0.0004343600000000, 0.0001412700000000 ] - [ -0.0001675400000000, -0.0005329800000000, 0.0003141200000000 ] - [ -0.0005418300000000, -0.0004343600000000, 0.0001412700000000 ] - [ 0.0005842400000000, -0.0006178600000000, -0.0005472500000000 ] - [ 0.0002268300000000, -0.0001104000000000, 0.0001611600000000 ] - [ 0.0005842400000000, 0.0006178600000000, -0.0005472500000000 ] - [ 0.0002268300000000, 0.0001104000000000, 0.0001611600000000 ] - [ 0.0005074900000000, 0.0000000000000000, -0.0000281500000000 ] - [ 0.0002631700000000, 0.0000000000000000, 0.0002060300000000 ] - [ 0.0009541300000000, 0.0000000000000000, -0.0012277400000000 ] - [ 0.0003323400000000, 0.0000000000000000, 0.0001163300000000 ] - [ 0.0008437600000000, -0.0005647100000000, -0.0004050400000000 ] - [ 0.0003770200000000, -0.0000768900000000, 0.0001379500000000 ] - [ 0.0008437600000000, 0.0005647100000000, -0.0004050400000000 ] - [ 0.0003770200000000, 0.0000768900000000, 0.0001379500000000 ] - [ -0.0008438300000000, 0.0001759100000000, -0.0004617500000000 ] - [ 0.0005734400000000, 0.0005906600000000, -0.0011543000000000 ] - [ -0.0008438300000000, -0.0001759100000000, -0.0004617500000000 ] - [ 0.0005734400000000, -0.0005906600000000, -0.0011543000000000 ] - [ -0.0006584000000000, 0.0000000000000000, -0.0003051200000000 ] - [ -0.0001126100000000, 0.0000000000000000, -0.0004326000000000 ] - [ 0.0014274300000000, 0.0000000000000000, -0.0006645900000000 ] - [ -0.0004477400000000, 0.0000000000000000, -0.0006818200000000 ] - [ 0.0008376400000000, 0.0004997900000000, -0.0003613800000000 ] - [ 0.0001657700000000, 0.0003014700000000, -0.0004455800000000 ] - [ 0.0008376400000000, -0.0004997900000000, -0.0003613800000000 ] - [ 0.0001657700000000, -0.0003014700000000, -0.0004455800000000 ] - [ 0.0008901900000000, -0.0021876500000000, -0.0015670700000000 ] - [ -0.0008544500000000, -0.0001118000000000, 0.0001892200000000 ] - [ 0.0008901900000000, 0.0021876500000000, -0.0015670700000000 ] - [ -0.0008544500000000, 0.0001118000000000, 0.0001892200000000 ] - [ -0.0002831600000000, 0.0000000000000000, 0.0005047400000000 ] - [ -0.0005518900000000, 0.0000000000000000, 0.0002893900000000 ] - [ 0.0004625400000000, -0.0001173000000000, -0.0003367800000000 ] - [ -0.0003133600000000, -0.0009162600000000, -0.0008141100000000 ] - [ 0.0004625400000000, 0.0001173000000000, -0.0003367800000000 ] - [ -0.0003133600000000, 0.0009162600000000, -0.0008141100000000 ] - [ 0.0002282000000000, 0.0000000000000000, -0.0001411500000000 ] - [ -0.0001367900000000, 0.0000000000000000, -0.0001127300000000 ] - [ 0.0033141600000000, 0.0000000000000000, 0.0079443000000000 ] - [ 0.0003946000000000, 0.0000000000000000, 0.0000743600000000 ] - [ -0.0004449300000000, 0.0006819300000000, 0.0002864800000000 ] - [ 0.0001171700000000, 0.0002741200000000, 0.0001721600000000 ] - [ -0.0004449300000000, -0.0006819300000000, 0.0002864800000000 ] - [ 0.0001171700000000, -0.0002741200000000, 0.0001721600000000 ] - [ -0.0005429100000000, 0.0002203100000000, -0.0009503900000000 ] - [ 0.0003485800000000, 0.0001049500000000, -0.0002419800000000 ] - [ -0.0005429100000000, -0.0002203100000000, -0.0009503900000000 ] - [ 0.0003485800000000, -0.0001049500000000, -0.0002419800000000 ] - [ -0.0000503200000000, 0.0000000000000000, -0.0004437000000000 ] - [ 0.0002874900000000, 0.0000000000000000, -0.0001493900000000 ] - [ -0.0015309100000000, 0.0000000000000000, -0.0016494700000000 ] - [ 0.0002270700000000, 0.0000000000000000, -0.0001371900000000 ] - [ -0.0008064200000000, -0.0007250200000000, -0.0004125900000000 ] - [ -0.0000290100000000, -0.0001208200000000, 0.0000553900000000 ] - [ -0.0008064200000000, 0.0007250200000000, -0.0004125900000000 ] - [ -0.0000290100000000, 0.0001208200000000, 0.0000553900000000 ] - [ -0.0023434600000000, 0.0000000000000000, -0.0367552400000000 ] - [ -0.0001265500000000, 0.0000000000000000, -0.0006313300000000 ] - [ -0.0003877900000000, 0.0000695800000000, -0.0020206200000000 ] - [ -0.0000970800000000, -0.0000124200000000, -0.0003840900000000 ] - [ -0.0003877900000000, -0.0000695800000000, -0.0020206200000000 ] - [ -0.0000970800000000, 0.0000124200000000, -0.0003840900000000 ] - [ -0.0000079400000000, 0.0000587400000000, 0.0005028600000000 ] - [ 0.0003682200000000, 0.0000935300000000, 0.0005714500000000 ] - [ -0.0000079400000000, -0.0000587400000000, 0.0005028600000000 ] - [ 0.0003682200000000, -0.0000935300000000, 0.0005714500000000 ] - [ 0.0000645000000000, 0.0000000000000000, 0.0003389700000000 ] - [ 0.0002609300000000, 0.0000000000000000, 0.0003555400000000 ] - [ 0.0038765900000000, 0.0000000000000000, -0.0011670300000000 ] - [ -0.0039187100000000, 0.0000000000000000, -0.0011678600000000 ] - [ 0.0005207500000000, 0.0004748000000000, -0.0009187800000000 ] - [ -0.0004544700000000, 0.0002585400000000, -0.0009200600000000 ] - [ 0.0005207500000000, -0.0004748000000000, -0.0009187800000000 ] - [ -0.0004544700000000, -0.0002585400000000, -0.0009200600000000 ] - [ 0.0000519100000000, 0.0000060100000000, 0.0011759100000000 ] - [ 0.0000994500000000, -0.0000043900000000, 0.0006977800000000 ] - [ 0.0000519100000000, -0.0000060100000000, 0.0011759100000000 ] - [ 0.0000994500000000, 0.0000043900000000, 0.0006977800000000 ] - [ 0.0000774100000000, 0.0000000000000000, 0.0008994800000000 ] - [ 0.0000999400000000, 0.0000000000000000, 0.0006249100000000 ] - [ 0.0005786600000000, -0.0051356500000000, 0.0071797900000000 ] - [ 0.0001750200000000, -0.0003646800000000, 0.0002792500000000 ] - [ 0.0005786600000000, 0.0051356500000000, 0.0071797900000000 ] - [ 0.0001750200000000, 0.0003646800000000, 0.0002792500000000 ] - [ 0.0002065300000000, 0.0000000000000000, 0.0007554800000000 ] - [ 0.0002256600000000, 0.0000000000000000, 0.0001521200000000 ] - [ 0.0011245200000000, 0.0000000000000000, 0.0016279600000000 ] - [ -0.0015196700000000, 0.0000000000000000, 0.0017849600000000 ] - [ 0.0005275500000000, 0.0004116200000000, 0.0008401300000000 ] - [ -0.0008835100000000, 0.0004987200000000, 0.0008439600000000 ] - [ 0.0005275500000000, -0.0004116200000000, 0.0008401300000000 ] - [ -0.0008835100000000, -0.0004987200000000, 0.0008439600000000 ] - [ -0.0036461800000000, 0.0021749500000000, -0.0009381500000000 ] - [ 0.0044369300000000, 0.0034846300000000, -0.0006848900000000 ] - [ -0.0036461800000000, -0.0021749500000000, -0.0009381500000000 ] - [ 0.0044369300000000, -0.0034846300000000, -0.0006848900000000 ] - [ -0.0004576000000000, 0.0000000000000000, -0.0013434900000000 ] - [ 0.0005460700000000, 0.0000000000000000, -0.0012469200000000 ] - [ -0.0010080600000000, 0.0000000000000000, 0.0093761100000000 ] - [ 0.0000934800000000, 0.0000000000000000, 0.0012064900000000 ] - [ 0.0001161900000000, -0.0020686200000000, 0.0020011800000000 ] - [ -0.0000143100000000, -0.0003091600000000, 0.0009582900000000 ] - [ 0.0001161900000000, 0.0020686200000000, 0.0020011800000000 ] - [ -0.0000143100000000, 0.0003091600000000, 0.0009582900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003165500000000, 0.0008958900000000, -0.0026738200000000 ] - [ 0.0001237300000000, -0.0002104000000000, -0.0004441600000000 ] - [ -0.0003165500000000, -0.0008958900000000, -0.0026738200000000 ] - [ 0.0001237300000000, 0.0002104000000000, -0.0004441600000000 ] - [ 0.0004361400000000, 0.0000000000000000, -0.0006218000000000 ] - [ 0.0003306500000000, 0.0000000000000000, -0.0004020900000000 ] - [ -0.0004771400000000, 0.0000000000000000, 0.0009139000000000 ] - [ -0.0004949900000000, 0.0000000000000000, 0.0008253700000000 ] - [ -0.0004354500000000, 0.0000192100000000, 0.0007061200000000 ] - [ -0.0004542400000000, -0.0000042700000000, 0.0006426800000000 ] - [ -0.0004354500000000, -0.0000192100000000, 0.0007061200000000 ] - [ -0.0004542400000000, 0.0000042700000000, 0.0006426800000000 ] - [ 0.0000431800000000, 0.0000894000000000, -0.0014792000000000 ] - [ 0.0000850500000000, 0.0000724600000000, -0.0031555600000000 ] - [ 0.0000431800000000, -0.0000894000000000, -0.0014792000000000 ] - [ 0.0000850500000000, -0.0000724600000000, -0.0031555600000000 ] - [ 0.0002161900000000, 0.0000000000000000, -0.0008287800000000 ] - [ 0.0000872700000000, 0.0000000000000000, -0.0008710300000000 ] - [ 0.0002149600000000, 0.0000000000000000, 0.0016406100000000 ] - [ -0.0002778700000000, 0.0000000000000000, 0.0005901400000000 ] - [ -0.0000987900000000, -0.0001053200000000, 0.0008943300000000 ] - [ -0.0002733400000000, -0.0000364000000000, 0.0004880700000000 ] - [ -0.0000987900000000, 0.0001053200000000, 0.0008943300000000 ] - [ -0.0002733400000000, 0.0000364000000000, 0.0004880700000000 ] - [ 0.0020781500000000, 0.0000000000000000, -0.0052714400000000 ] - [ 0.0000790000000000, 0.0000000000000000, 0.0004384700000000 ] - [ -0.0006797500000000, 0.0011906400000000, 0.0003285200000000 ] - [ -0.0001631300000000, 0.0001055200000000, 0.0003046100000000 ] - [ -0.0006797500000000, -0.0011906400000000, 0.0003285200000000 ] - [ -0.0001631300000000, -0.0001055200000000, 0.0003046100000000 ] - [ 0.0004566800000000, -0.0001184200000000, 0.0000142500000000 ] - [ 0.0002453200000000, -0.0001357600000000, 0.0001837400000000 ] - [ 0.0004566800000000, 0.0001184200000000, 0.0000142500000000 ] - [ 0.0002453200000000, 0.0001357600000000, 0.0001837400000000 ] - [ 0.0004019200000000, 0.0000000000000000, -0.0000777100000000 ] - [ 0.0002835500000000, 0.0000000000000000, -0.0000033600000000 ] - [ 0.0043419900000000, 0.0000000000000000, -0.0038673200000000 ] - [ 0.0007437700000000, 0.0000000000000000, -0.0014976900000000 ] - [ -0.0003264200000000, -0.0005310400000000, -0.0013100000000000 ] - [ 0.0000436200000000, -0.0004318100000000, -0.0011362500000000 ] - [ -0.0003264200000000, 0.0005310400000000, -0.0013100000000000 ] - [ 0.0000436200000000, 0.0004318100000000, -0.0011362500000000 ] - [ -0.0000896000000000, 0.0006219400000000, 0.0015414200000000 ] - [ 0.0002692300000000, 0.0001102800000000, 0.0008295000000000 ] - [ -0.0000896000000000, -0.0006219400000000, 0.0015414200000000 ] - [ 0.0002692300000000, -0.0001102800000000, 0.0008295000000000 ] - [ -0.0000116800000000, 0.0000000000000000, 0.0010195100000000 ] - [ 0.0002323900000000, 0.0000000000000000, 0.0007853100000000 ] - [ -0.0000429400000000, 0.0000000000000000, 0.0017174000000000 ] - [ 0.0005748000000000, 0.0000000000000000, 0.0003759000000000 ] - [ 0.0000661700000000, 0.0005615000000000, 0.0008959800000000 ] - [ 0.0005308900000000, 0.0000766500000000, 0.0003547400000000 ] - [ 0.0000661700000000, -0.0005615000000000, 0.0008959800000000 ] - [ 0.0005308900000000, -0.0000766500000000, 0.0003547400000000 ] - [ -0.0000667400000000, -0.0001749500000000, -0.0000291500000000 ] - [ -0.0014777700000000, -0.0005877100000000, 0.0006585500000000 ] - [ -0.0000667400000000, 0.0001749500000000, -0.0000291500000000 ] - [ -0.0014777700000000, 0.0005877100000000, 0.0006585500000000 ] - [ -0.0002509500000000, 0.0000000000000000, -0.0001857000000000 ] - [ -0.0007955600000000, 0.0000000000000000, -0.0000579500000000 ] - [ -0.0005268000000000, 0.0000000000000000, 0.0001686100000000 ] - [ 0.0013550400000000, 0.0000000000000000, 0.0001872000000000 ] - [ 0.0000678600000000, -0.0005005500000000, -0.0001323200000000 ] - [ 0.0007420100000000, -0.0003011000000000, -0.0000483600000000 ] - [ 0.0000678600000000, 0.0005005500000000, -0.0001323200000000 ] - [ 0.0007420100000000, 0.0003011000000000, -0.0000483600000000 ] - [ -0.0018057200000000, 0.0021966000000000, 0.0020464000000000 ] - [ -0.0000549000000000, 0.0001113200000000, 0.0003008900000000 ] - [ -0.0018057200000000, -0.0021966000000000, 0.0020464000000000 ] - [ -0.0000549000000000, -0.0001113200000000, 0.0003008900000000 ] - [ -0.0006254500000000, 0.0000000000000000, -0.0000157000000000 ] - [ -0.0003573600000000, 0.0000000000000000, 0.0002008500000000 ] - [ -0.0001581200000000, 0.0001172800000000, 0.0003154100000000 ] - [ 0.0006237000000000, 0.0009201400000000, 0.0007942700000000 ] - [ -0.0001581200000000, -0.0001172800000000, 0.0003154100000000 ] - [ 0.0006237000000000, -0.0009201400000000, 0.0007942700000000 ] - [ 0.0000759400000000, 0.0000000000000000, 0.0001200900000000 ] - [ 0.0004431400000000, 0.0000000000000000, 0.0000909700000000 ] - [ -0.0039285600000000, 0.0000000000000000, -0.0083814300000000 ] - [ -0.0006955700000000, 0.0000000000000000, -0.0000585000000000 ] - [ 0.0001437700000000, -0.0006823700000000, -0.0002720300000000 ] - [ -0.0004207200000000, -0.0002734300000000, -0.0001536700000000 ] - [ 0.0001437700000000, 0.0006823700000000, -0.0002720300000000 ] - [ -0.0004207200000000, 0.0002734300000000, -0.0001536700000000 ] - [ 0.0008447700000000, -0.0002186500000000, 0.0009670800000000 ] - [ -0.0000426800000000, -0.0001046200000000, 0.0002623600000000 ] - [ 0.0008447700000000, 0.0002186500000000, 0.0009670800000000 ] - [ -0.0000426800000000, 0.0001046200000000, 0.0002623600000000 ] - [ 0.0003550200000000, 0.0000000000000000, 0.0004637900000000 ] - [ 0.0000182600000000, 0.0000000000000000, 0.0001695000000000 ] - [ 0.0012158400000000, 0.0000000000000000, 0.0016200300000000 ] - [ -0.0005305100000000, 0.0000000000000000, 0.0001197600000000 ] - [ 0.0005001100000000, 0.0007230100000000, 0.0003952400000000 ] - [ -0.0002752300000000, 0.0001204200000000, -0.0000731700000000 ] - [ 0.0005001100000000, -0.0007230100000000, 0.0003952400000000 ] - [ -0.0002752300000000, -0.0001204200000000, -0.0000731700000000 ] - [ 0.0022919000000000, 0.0000000000000000, 0.0369117800000000 ] - [ -0.0001225200000000, 0.0000000000000000, 0.0009987900000000 ] - [ 0.0001367900000000, -0.0000896800000000, 0.0023877700000000 ] - [ -0.0001513800000000, 0.0000118600000000, 0.0007521900000000 ] - [ 0.0001367900000000, 0.0000896800000000, 0.0023877700000000 ] - [ -0.0001513800000000, -0.0000118600000000, 0.0007521900000000 ] - [ 0.0002581300000000, -0.0000590800000000, -0.0008709600000000 ] - [ -0.0001205900000000, -0.0000940600000000, -0.0009395900000000 ] - [ 0.0002581300000000, 0.0000590800000000, -0.0008709600000000 ] - [ -0.0001205900000000, 0.0000940600000000, -0.0009395900000000 ] - [ 0.0001850800000000, 0.0000000000000000, -0.0007069900000000 ] - [ -0.0000124000000000, 0.0000000000000000, -0.0007232400000000 ] - [ -0.0041187400000000, 0.0000000000000000, 0.0007747800000000 ] - [ 0.0036618300000000, 0.0000000000000000, 0.0007739300000000 ] - [ -0.0007707700000000, -0.0004756000000000, 0.0005471600000000 ] - [ 0.0002067900000000, -0.0002600100000000, 0.0005458600000000 ] - [ -0.0007707700000000, 0.0004756000000000, 0.0005471600000000 ] - [ 0.0002067900000000, 0.0002600100000000, 0.0005458600000000 ] - [ 0.0001972400000000, -0.0000068000000000, -0.0008071200000000 ] - [ 0.0001496000000000, 0.0000043000000000, -0.0003286700000000 ] - [ 0.0001972400000000, 0.0000068000000000, -0.0008071200000000 ] - [ 0.0001496000000000, -0.0000043000000000, -0.0003286700000000 ] - [ 0.0001717400000000, 0.0000000000000000, -0.0005305400000000 ] - [ 0.0001490200000000, 0.0000000000000000, -0.0002559700000000 ] - [ -0.0003348200000000, 0.0050870500000000, -0.0063253500000000 ] - [ 0.0000585900000000, 0.0003641500000000, 0.0005288100000000 ] - [ -0.0003348200000000, -0.0050870500000000, -0.0063253500000000 ] - [ 0.0000585900000000, -0.0003641500000000, 0.0005288100000000 ] - [ 0.0000278100000000, 0.0000000000000000, 0.0000518500000000 ] - [ 0.0000079600000000, 0.0000000000000000, 0.0006571800000000 ] - [ -0.0013497500000000, 0.0000000000000000, -0.0024378200000000 ] - [ 0.0012801400000000, 0.0000000000000000, -0.0025950400000000 ] - [ -0.0007582700000000, -0.0004093700000000, -0.0016546200000000 ] - [ 0.0006471000000000, -0.0004959000000000, -0.0016573400000000 ] - [ -0.0007582700000000, 0.0004093700000000, -0.0016546200000000 ] - [ 0.0006471000000000, 0.0004959000000000, -0.0016573400000000 ] - [ 0.0038859400000000, -0.0021657600000000, 0.0001459600000000 ] - [ -0.0042166900000000, -0.0034950800000000, -0.0001007100000000 ] - [ 0.0038859400000000, 0.0021657600000000, 0.0001459600000000 ] - [ -0.0042166900000000, 0.0034950800000000, -0.0001007100000000 ] - [ 0.0006905500000000, 0.0000000000000000, 0.0005354900000000 ] - [ -0.0003129000000000, 0.0000000000000000, 0.0004412400000000 ] - [ 0.0007772800000000, 0.0000000000000000, -0.0086401700000000 ] - [ -0.0003258300000000, 0.0000000000000000, -0.0003875100000000 ] - [ -0.0003516200000000, 0.0020786700000000, -0.0011863900000000 ] - [ -0.0002179000000000, 0.0003088700000000, -0.0001408200000000 ] - [ -0.0003516200000000, -0.0020786700000000, -0.0011863900000000 ] - [ -0.0002179000000000, -0.0003088700000000, -0.0001408200000000 ]- atom: 121 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0204986300000000, 0.0000000000000000, -0.0155583900000000 ] - [ -0.0024126700000000, 0.0000000000000000, 0.0001185100000000 ] - [ 0.0033497800000000, -0.0010210300000000, -0.0000702200000000 ] - [ -0.0010510600000000, 0.0004157700000000, 0.0001563700000000 ] - [ 0.0033497800000000, 0.0010210300000000, -0.0000702200000000 ] - [ -0.0010510600000000, -0.0004157700000000, 0.0001563700000000 ] - [ 0.0006826400000000, -0.0012689100000000, -0.0032014800000000 ] - [ -0.0022337100000000, 0.0003170200000000, 0.0028903800000000 ] - [ 0.0002991900000000, 0.0000000000000000, -0.0007841900000000 ] - [ -0.0010582500000000, 0.0000000000000000, 0.0008097400000000 ] - [ 0.0006826400000000, 0.0012689100000000, -0.0032014800000000 ] - [ -0.0022337100000000, -0.0003170200000000, 0.0028903800000000 ] - [ -0.0007549700000000, 0.0000000000000000, 0.0015654400000000 ] - [ 0.0006351100000000, 0.0000000000000000, -0.0028663900000000 ] - [ -0.0001911200000000, -0.0005042900000000, 0.0007336000000000 ] - [ 0.0006573700000000, 0.0003882200000000, -0.0010617800000000 ] - [ -0.0001911200000000, 0.0005042900000000, 0.0007336000000000 ] - [ 0.0006573700000000, -0.0003882200000000, -0.0010617800000000 ] - [ 0.0005283700000000, -0.0000135400000000, 0.0005054900000000 ] - [ -0.0010551000000000, -0.0000570700000000, -0.0002719700000000 ] - [ 0.0002216300000000, 0.0000000000000000, 0.0003605100000000 ] - [ -0.0008456400000000, 0.0000000000000000, -0.0001568300000000 ] - [ 0.0005283700000000, 0.0000135400000000, 0.0005054900000000 ] - [ -0.0010551000000000, 0.0000570700000000, -0.0002719700000000 ] - [ 0.0148199400000000, -0.0041228200000000, 0.0063572700000000 ] - [ -0.0028364800000000, -0.0003673300000000, 0.0002160500000000 ] - [ 0.0008961000000000, 0.0000000000000000, 0.0008334000000000 ] - [ -0.0012796000000000, 0.0000000000000000, 0.0004115800000000 ] - [ 0.0148199400000000, 0.0041228200000000, 0.0063572700000000 ] - [ -0.0028364800000000, 0.0003673300000000, 0.0002160500000000 ] - [ -0.0025224500000000, 0.0000000000000000, -0.0027897400000000 ] - [ -0.0002298200000000, 0.0000000000000000, 0.0051680900000000 ] - [ -0.0009430500000000, -0.0021150100000000, -0.0017552100000000 ] - [ 0.0010389200000000, 0.0021700000000000, 0.0008989100000000 ] - [ -0.0009430500000000, 0.0021150100000000, -0.0017552100000000 ] - [ 0.0010389200000000, -0.0021700000000000, 0.0008989100000000 ] - [ -0.0001880600000000, -0.0004956100000000, 0.0006600600000000 ] - [ -0.0005560600000000, 0.0001985300000000, -0.0012351200000000 ] - [ -0.0000439600000000, 0.0000000000000000, -0.0003354600000000 ] - [ -0.0004573300000000, 0.0000000000000000, -0.0007049100000000 ] - [ -0.0001880600000000, 0.0004956100000000, 0.0006600600000000 ] - [ -0.0005560600000000, -0.0001985300000000, -0.0012351200000000 ] - [ 0.0007914600000000, 0.0000000000000000, 0.0001692500000000 ] - [ -0.0003173200000000, 0.0000000000000000, 0.0008160500000000 ] - [ 0.0006587100000000, -0.0000732500000000, 0.0003698100000000 ] - [ -0.0001661900000000, 0.0000322800000000, 0.0007139800000000 ] - [ 0.0006587100000000, 0.0000732500000000, 0.0003698100000000 ] - [ -0.0001661900000000, -0.0000322800000000, 0.0007139800000000 ] - [ 0.0112252500000000, 0.0010214000000000, -0.0011324100000000 ] - [ -0.0034131500000000, -0.0004138500000000, 0.0009041400000000 ] - [ 0.0018855600000000, 0.0000000000000000, -0.0000047000000000 ] - [ -0.0011517900000000, 0.0000000000000000, 0.0005263300000000 ] - [ 0.0112252500000000, -0.0010214000000000, -0.0011324100000000 ] - [ -0.0034131500000000, 0.0004138500000000, 0.0009041400000000 ] - [ -0.0088425500000000, 0.0000000000000000, -0.0007985700000000 ] - [ 0.0210519100000000, 0.0000000000000000, 0.0041124500000000 ] - [ -0.0027564500000000, -0.0019934000000000, 0.0001675800000000 ] - [ 0.0001797400000000, 0.0029425200000000, -0.0002331300000000 ] - [ -0.0027564500000000, 0.0019934000000000, 0.0001675800000000 ] - [ 0.0001797400000000, -0.0029425200000000, -0.0002331300000000 ] - [ 0.0007284400000000, -0.0001308100000000, -0.0000585400000000 ] - [ 0.0001773300000000, 0.0001086800000000, -0.0003412300000000 ] - [ 0.0007075300000000, 0.0000000000000000, -0.0001382700000000 ] - [ 0.0002219300000000, 0.0000000000000000, -0.0003044800000000 ] - [ 0.0007284400000000, 0.0001308100000000, -0.0000585400000000 ] - [ 0.0001773300000000, -0.0001086800000000, -0.0003412300000000 ] - [ 0.0001647200000000, 0.0000000000000000, 0.0006179400000000 ] - [ -0.0010437500000000, 0.0000000000000000, 0.0001173900000000 ] - [ -0.0000041100000000, -0.0000851300000000, 0.0004053800000000 ] - [ -0.0008830200000000, 0.0000289700000000, 0.0001479500000000 ] - [ -0.0000041100000000, 0.0000851300000000, 0.0004053800000000 ] - [ -0.0008830200000000, -0.0000289700000000, 0.0001479500000000 ] - [ -0.0004320700000000, 0.0000000000000000, 0.0000682400000000 ] - [ 0.0007366500000000, 0.0000000000000000, -0.0000019700000000 ] - [ -0.0002656900000000, -0.0000297200000000, 0.0000511900000000 ] - [ 0.0005590000000000, 0.0000051800000000, -0.0000126500000000 ] - [ -0.0002656900000000, 0.0000297200000000, 0.0000511900000000 ] - [ 0.0005590000000000, -0.0000051800000000, -0.0000126500000000 ] - [ 0.0003535800000000, 0.0001334600000000, -0.0002498300000000 ] - [ -0.0006617400000000, -0.0001445300000000, 0.0003229000000000 ] - [ 0.0002011900000000, 0.0000000000000000, -0.0001880800000000 ] - [ -0.0005436200000000, 0.0000000000000000, 0.0002013000000000 ] - [ 0.0003535800000000, -0.0001334600000000, -0.0002498300000000 ] - [ -0.0006617400000000, 0.0001445300000000, 0.0003229000000000 ] - [ 0.0153531900000000, 0.0000000000000000, 0.0108342700000000 ] - [ -0.0050269200000000, 0.0000000000000000, 0.0005939300000000 ] - [ 0.0026520600000000, -0.0028144900000000, -0.0007929100000000 ] - [ -0.0021927600000000, 0.0013744100000000, -0.0003653400000000 ] - [ 0.0026520600000000, 0.0028144900000000, -0.0007929100000000 ] - [ -0.0021927600000000, -0.0013744100000000, -0.0003653400000000 ] - [ 0.0149312600000000, 0.0024447000000000, -0.0020375300000000 ] - [ -0.0049580100000000, 0.0014422600000000, -0.0007522600000000 ] - [ 0.0020301400000000, 0.0000000000000000, 0.0003928200000000 ] - [ -0.0016069900000000, 0.0000000000000000, -0.0004666900000000 ] - [ 0.0149312600000000, -0.0024447000000000, -0.0020375300000000 ] - [ -0.0049580100000000, -0.0014422600000000, -0.0007522600000000 ] - [ -0.0033486900000000, 0.0008285700000000, 0.0006551000000000 ] - [ 0.0012946500000000, 0.0000236200000000, 0.0002395300000000 ] - [ -0.0009651000000000, 0.0000000000000000, 0.0002765000000000 ] - [ 0.0005979200000000, 0.0000000000000000, 0.0002919100000000 ] - [ -0.0033486900000000, -0.0008285700000000, 0.0006551000000000 ] - [ 0.0012946500000000, -0.0000236200000000, 0.0002395300000000 ] - [ 0.0005366200000000, 0.0000000000000000, 0.0010539700000000 ] - [ -0.0000426700000000, 0.0000000000000000, -0.0015805500000000 ] - [ 0.0003209100000000, 0.0002653600000000, 0.0004594800000000 ] - [ -0.0000073800000000, -0.0002261900000000, -0.0009485300000000 ] - [ 0.0003209100000000, -0.0002653600000000, 0.0004594800000000 ] - [ -0.0000073800000000, 0.0002261900000000, -0.0009485300000000 ] - [ 0.0034532000000000, 0.0034052700000000, -0.0045271200000000 ] - [ 0.0030836100000000, -0.0025141800000000, 0.0035676000000000 ] - [ -0.0001141500000000, 0.0000000000000000, -0.0006136800000000 ] - [ 0.0001813900000000, 0.0000000000000000, 0.0003891800000000 ] - [ 0.0034532000000000, -0.0034052700000000, -0.0045271200000000 ] - [ 0.0030836100000000, 0.0025141800000000, 0.0035676000000000 ] - [ -0.0040829100000000, 0.0000000000000000, 0.0010664400000000 ] - [ 0.0022324600000000, 0.0000000000000000, -0.0000221300000000 ] - [ -0.0015820700000000, 0.0000106700000000, -0.0000528000000000 ] - [ 0.0014844100000000, -0.0000974100000000, 0.0000841000000000 ] - [ -0.0015820700000000, -0.0000106700000000, -0.0000528000000000 ] - [ 0.0014844100000000, 0.0000974100000000, 0.0000841000000000 ] - [ -0.1439010400000000, 0.0000000000000000, 0.0011662900000000 ] - [ 0.0137180900000000, 0.0000000000000000, 0.0000622500000000 ] - [ -0.0178606400000000, -0.0011356100000000, -0.0006400200000000 ] - [ 0.0064706500000000, -0.0001535700000000, 0.0003135500000000 ] - [ -0.0178606400000000, 0.0011356100000000, -0.0006400200000000 ] - [ 0.0064706500000000, 0.0001535700000000, 0.0003135500000000 ] - [ 0.0133468300000000, 0.0122783600000000, 0.0105603200000000 ] - [ 0.0116242800000000, -0.0148561600000000, -0.0127930500000000 ] - [ 0.0000655700000000, 0.0000000000000000, -0.0000519600000000 ] - [ 0.0009729800000000, 0.0000000000000000, -0.0010959600000000 ] - [ 0.0133468300000000, -0.0122783600000000, 0.0105603200000000 ] - [ 0.0116242800000000, 0.0148561600000000, -0.0127930500000000 ] - [ 0.0004365500000000, 0.0000000000000000, -0.0026192500000000 ] - [ 0.0004491300000000, 0.0000000000000000, 0.0014311600000000 ] - [ 0.0001870400000000, 0.0006260000000000, -0.0014193300000000 ] - [ 0.0001962300000000, -0.0003384200000000, 0.0005248200000000 ] - [ 0.0001870400000000, -0.0006260000000000, -0.0014193300000000 ] - [ 0.0001962300000000, 0.0003384200000000, 0.0005248200000000 ] - [ -0.0016964300000000, 0.0001670200000000, 0.0002317600000000 ] - [ 0.0013744400000000, -0.0000226300000000, 0.0003247300000000 ] - [ -0.0013092800000000, 0.0000000000000000, 0.0002537800000000 ] - [ 0.0010438800000000, 0.0000000000000000, 0.0003543400000000 ] - [ -0.0016964300000000, -0.0001670200000000, 0.0002317600000000 ] - [ 0.0013744400000000, 0.0000226300000000, 0.0003247300000000 ]- atom: 121 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0196776200000000, 0.0000000000000000, 0.0149637200000000 ] - [ 0.0030486400000000, 0.0000000000000000, -0.0000611900000000 ] - [ -0.0027020600000000, 0.0010255100000000, 0.0001076000000000 ] - [ 0.0016796800000000, -0.0004200900000000, -0.0001077600000000 ] - [ -0.0027020600000000, -0.0010255100000000, 0.0001076000000000 ] - [ 0.0016796800000000, 0.0004200900000000, -0.0001077600000000 ] - [ -0.0013048200000000, 0.0012694600000000, 0.0031508900000000 ] - [ 0.0016063300000000, -0.0003193900000000, -0.0029475100000000 ] - [ -0.0009256600000000, 0.0000000000000000, 0.0007402100000000 ] - [ 0.0004241200000000, 0.0000000000000000, -0.0008535900000000 ] - [ -0.0013048200000000, -0.0012694600000000, 0.0031508900000000 ] - [ 0.0016063300000000, 0.0003193900000000, -0.0029475100000000 ] - [ 0.0013928600000000, 0.0000000000000000, -0.0016033400000000 ] - [ -0.0000187400000000, 0.0000000000000000, 0.0028287100000000 ] - [ 0.0008255100000000, 0.0005030800000000, -0.0007746100000000 ] - [ -0.0000357200000000, -0.0003870200000000, 0.0010139700000000 ] - [ 0.0008255100000000, -0.0005030800000000, -0.0007746100000000 ] - [ -0.0000357200000000, 0.0003870200000000, 0.0010139700000000 ] - [ -0.0011626000000000, 0.0000130600000000, -0.0004631800000000 ] - [ 0.0004249900000000, 0.0000564600000000, 0.0003117700000000 ] - [ -0.0008543800000000, 0.0000000000000000, -0.0003171600000000 ] - [ 0.0002149500000000, 0.0000000000000000, 0.0001973100000000 ] - [ -0.0011626000000000, -0.0000130600000000, -0.0004631800000000 ] - [ 0.0004249900000000, -0.0000564600000000, 0.0003117700000000 ] - [ -0.0154346700000000, 0.0044625600000000, -0.0055422200000000 ] - [ 0.0023399600000000, 0.0003567400000000, 0.0007824700000000 ] - [ -0.0013998400000000, 0.0000000000000000, 0.0001560500000000 ] - [ 0.0007861800000000, 0.0000000000000000, 0.0005839500000000 ] - [ -0.0154346700000000, -0.0044625600000000, -0.0055422200000000 ] - [ 0.0023399600000000, -0.0003567400000000, 0.0007824700000000 ] - [ 0.0030280600000000, 0.0000000000000000, 0.0017890600000000 ] - [ 0.0007160500000000, 0.0000000000000000, -0.0062061000000000 ] - [ 0.0014416900000000, 0.0021057900000000, 0.0007609000000000 ] - [ -0.0005588300000000, -0.0021746900000000, -0.0018907200000000 ] - [ 0.0014416900000000, -0.0021057900000000, 0.0007609000000000 ] - [ -0.0005588300000000, 0.0021746900000000, -0.0018907200000000 ] - [ -0.0002995700000000, 0.0004987400000000, -0.0016574300000000 ] - [ 0.0000568000000000, -0.0001992200000000, 0.0002458300000000 ] - [ -0.0004485300000000, 0.0000000000000000, -0.0006595900000000 ] - [ -0.0000412500000000, 0.0000000000000000, -0.0002877200000000 ] - [ -0.0002995700000000, -0.0004987400000000, -0.0016574300000000 ] - [ 0.0000568000000000, 0.0001992200000000, 0.0002458300000000 ] - [ -0.0002941900000000, 0.0000000000000000, 0.0008221400000000 ] - [ 0.0008135900000000, 0.0000000000000000, 0.0001733800000000 ] - [ -0.0001615100000000, 0.0000733400000000, 0.0006216900000000 ] - [ 0.0006616400000000, -0.0000329100000000, 0.0002767200000000 ] - [ -0.0001615100000000, -0.0000733400000000, 0.0006216900000000 ] - [ 0.0006616400000000, 0.0000329100000000, 0.0002767200000000 ] - [ -0.0104211900000000, -0.0009144600000000, 0.0017302000000000 ] - [ 0.0043208500000000, 0.0004043700000000, -0.0004154100000000 ] - [ -0.0009873200000000, 0.0000000000000000, 0.0005058200000000 ] - [ 0.0020640500000000, 0.0000000000000000, -0.0000356800000000 ] - [ -0.0104211900000000, 0.0009144600000000, 0.0017302000000000 ] - [ 0.0043208500000000, -0.0004043700000000, -0.0004154100000000 ] - [ 0.0078676000000000, 0.0000000000000000, 0.0002789300000000 ] - [ -0.0240766500000000, 0.0000000000000000, -0.0043195400000000 ] - [ 0.0018552900000000, 0.0019871200000000, -0.0006598600000000 ] - [ -0.0011136100000000, -0.0029477600000000, -0.0002511900000000 ] - [ 0.0018552900000000, -0.0019871200000000, -0.0006598600000000 ] - [ -0.0011136100000000, 0.0029477600000000, -0.0002511900000000 ] - [ 0.0001813400000000, 0.0001312300000000, -0.0004350000000000 ] - [ 0.0007283700000000, -0.0001091000000000, -0.0001522800000000 ] - [ 0.0002018600000000, 0.0000000000000000, -0.0003546800000000 ] - [ 0.0006842900000000, 0.0000000000000000, -0.0001892700000000 ] - [ 0.0001813400000000, -0.0001312300000000, -0.0004350000000000 ] - [ 0.0007283700000000, 0.0001091000000000, -0.0001522800000000 ] - [ -0.0010715700000000, 0.0000000000000000, -0.0001314600000000 ] - [ 0.0001342400000000, 0.0000000000000000, 0.0003743000000000 ] - [ -0.0009029400000000, 0.0000861400000000, 0.0000839500000000 ] - [ -0.0000266500000000, -0.0000293900000000, 0.0003433200000000 ] - [ -0.0009029400000000, -0.0000861400000000, 0.0000839500000000 ] - [ -0.0000266500000000, 0.0000293900000000, 0.0003433200000000 ] - [ 0.0007388000000000, 0.0000000000000000, -0.0000897700000000 ] - [ -0.0004344000000000, 0.0000000000000000, -0.0000192800000000 ] - [ 0.0005719200000000, 0.0000295500000000, -0.0000722500000000 ] - [ -0.0002557600000000, -0.0000049000000000, -0.0000078000000000 ] - [ 0.0005719200000000, -0.0000295500000000, -0.0000722500000000 ] - [ -0.0002557600000000, 0.0000049000000000, -0.0000078000000000 ] - [ -0.0006623000000000, -0.0001336400000000, 0.0002651200000000 ] - [ 0.0003606000000000, 0.0001447700000000, -0.0003038900000000 ] - [ -0.0005072900000000, 0.0000000000000000, 0.0002059000000000 ] - [ 0.0002414700000000, 0.0000000000000000, -0.0001824000000000 ] - [ -0.0006623000000000, 0.0001336400000000, 0.0002651200000000 ] - [ 0.0003606000000000, -0.0001447700000000, -0.0003038900000000 ] - [ -0.0143972400000000, 0.0000000000000000, -0.0100182700000000 ] - [ 0.0053396200000000, 0.0000000000000000, -0.0005815700000000 ] - [ -0.0023284800000000, 0.0028093900000000, 0.0008213100000000 ] - [ 0.0024974700000000, -0.0013855800000000, 0.0003841200000000 ] - [ -0.0023284800000000, -0.0028093900000000, 0.0008213100000000 ] - [ 0.0024974700000000, 0.0013855800000000, 0.0003841200000000 ] - [ -0.0147429200000000, -0.0018283900000000, 0.0020539000000000 ] - [ 0.0046675900000000, -0.0014594800000000, 0.0007318800000000 ] - [ -0.0023182200000000, 0.0000000000000000, -0.0004071400000000 ] - [ 0.0012956000000000, 0.0000000000000000, 0.0004476100000000 ] - [ -0.0147429200000000, 0.0018283900000000, 0.0020539000000000 ] - [ 0.0046675900000000, 0.0014594800000000, 0.0007318800000000 ] - [ 0.0031067200000000, -0.0008423800000000, -0.0002582700000000 ] - [ -0.0015453400000000, -0.0000218200000000, 0.0001230500000000 ] - [ 0.0007168100000000, 0.0000000000000000, 0.0000976900000000 ] - [ -0.0008474600000000, 0.0000000000000000, 0.0000740800000000 ] - [ 0.0031067200000000, 0.0008423800000000, -0.0002582700000000 ] - [ -0.0015453400000000, 0.0000218200000000, 0.0001230500000000 ] - [ -0.0002908800000000, 0.0000000000000000, -0.0014197300000000 ] - [ 0.0002950000000000, 0.0000000000000000, 0.0012187500000000 ] - [ -0.0000745800000000, -0.0002647800000000, -0.0008261300000000 ] - [ 0.0002591700000000, 0.0002276000000000, 0.0005821100000000 ] - [ -0.0000745800000000, 0.0002647800000000, -0.0008261300000000 ] - [ 0.0002591700000000, -0.0002276000000000, 0.0005821100000000 ] - [ -0.0037085800000000, -0.0033899800000000, 0.0041265100000000 ] - [ -0.0033285000000000, 0.0025401500000000, -0.0039647500000000 ] - [ -0.0001429900000000, 0.0000000000000000, 0.0002449700000000 ] - [ -0.0004210800000000, 0.0000000000000000, -0.0007587100000000 ] - [ -0.0037085800000000, 0.0033899800000000, 0.0041265100000000 ] - [ -0.0033285000000000, -0.0025401500000000, -0.0039647500000000 ] - [ 0.0043306200000000, 0.0000000000000000, -0.0007188100000000 ] - [ -0.0019864500000000, 0.0000000000000000, 0.0003974400000000 ] - [ 0.0018286400000000, -0.0000132400000000, 0.0004150600000000 ] - [ -0.0012363700000000, 0.0000996200000000, 0.0002877600000000 ] - [ 0.0018286400000000, 0.0000132400000000, 0.0004150600000000 ] - [ -0.0012363700000000, -0.0000996200000000, 0.0002877600000000 ] - [ 0.1449667300000000, 0.0000000000000000, -0.0008726600000000 ] - [ -0.0134812400000000, 0.0000000000000000, 0.0007406400000000 ] - [ 0.0180581500000000, 0.0010262200000000, 0.0014334100000000 ] - [ -0.0062419400000000, 0.0001750800000000, 0.0004953100000000 ] - [ 0.0180581500000000, -0.0010262200000000, 0.0014334100000000 ] - [ -0.0062419400000000, -0.0001750800000000, 0.0004953100000000 ] - [ -0.0135680200000000, -0.0122013200000000, -0.0112977800000000 ] - [ -0.0118701800000000, 0.0150046000000000, 0.0120893200000000 ] - [ -0.0003222900000000, 0.0000000000000000, -0.0007665600000000 ] - [ -0.0011805900000000, 0.0000000000000000, 0.0002786100000000 ] - [ -0.0135680200000000, 0.0122013200000000, -0.0112977800000000 ] - [ -0.0118701800000000, -0.0150046000000000, 0.0120893200000000 ] - [ -0.0002179000000000, 0.0000000000000000, 0.0018138200000000 ] - [ -0.0002056600000000, 0.0000000000000000, -0.0022425300000000 ] - [ 0.0000370000000000, -0.0006281700000000, 0.0006097500000000 ] - [ 0.0000459200000000, 0.0003393800000000, -0.0013332600000000 ] - [ 0.0000370000000000, 0.0006281700000000, 0.0006097500000000 ] - [ 0.0000459200000000, -0.0003393800000000, -0.0013332600000000 ] - [ 0.0014642900000000, -0.0001678500000000, 0.0005883300000000 ] - [ -0.0016083200000000, 0.0000237300000000, 0.0004937200000000 ] - [ 0.0010763700000000, 0.0000000000000000, 0.0005631900000000 ] - [ -0.0012770500000000, 0.0000000000000000, 0.0004631600000000 ] - [ 0.0014642900000000, 0.0001678500000000, 0.0005883300000000 ] - [ -0.0016083200000000, -0.0000237300000000, 0.0004937200000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003224800000000, 0.0140237700000000, 0.0000099700000000 ] - [ 0.0003156200000000, 0.0013577200000000, 0.0000187400000000 ] - [ -0.0019435100000000, -0.0042803900000000, 0.0040816600000000 ] - [ 0.0008177800000000, -0.0006786200000000, 0.0001916300000000 ] - [ 0.0025574700000000, -0.0042700800000000, -0.0040092100000000 ] - [ -0.0001834500000000, -0.0006814200000000, -0.0001497700000000 ] - [ -0.0004972300000000, 0.0007422300000000, -0.0017930400000000 ] - [ 0.0004196000000000, 0.0003902000000000, -0.0016920000000000 ] - [ -0.0003164700000000, -0.0013866000000000, -0.0000249600000000 ] - [ -0.0003136400000000, -0.0007856900000000, -0.0000246600000000 ] - [ -0.0001335700000000, 0.0007258300000000, 0.0017575000000000 ] - [ -0.0010512200000000, 0.0003871400000000, 0.0016509900000000 ] - [ 0.0003190600000000, 0.0010318000000000, -0.0000239400000000 ] - [ 0.0003121800000000, 0.0021690800000000, -0.0000233400000000 ] - [ 0.0000355300000000, -0.0005198000000000, 0.0005777700000000 ] - [ 0.0010746400000000, -0.0010562000000000, 0.0016159900000000 ] - [ 0.0005950000000000, -0.0005238500000000, -0.0006187000000000 ] - [ -0.0004411600000000, -0.0010596400000000, -0.0016507100000000 ] - [ -0.0003165700000000, 0.0003339400000000, -0.0005899600000000 ] - [ -0.0003705600000000, 0.0001575300000000, -0.0001619100000000 ] - [ -0.0003154700000000, -0.0006610800000000, 0.0000199000000000 ] - [ -0.0003155800000000, -0.0003130300000000, 0.0000206600000000 ] - [ -0.0003157100000000, 0.0003301500000000, 0.0006326900000000 ] - [ -0.0002594900000000, 0.0001557100000000, 0.0002057100000000 ] - [ -0.0087090000000000, 0.0222321900000000, -0.0109517100000000 ] - [ -0.0009558200000000, 0.0006819500000000, 0.0002990000000000 ] - [ -0.0002398000000000, -0.0091728100000000, 0.0005055700000000 ] - [ -0.0002495800000000, -0.0013618900000000, 0.0004946900000000 ] - [ 0.0075449100000000, 0.0208924100000000, 0.0110938700000000 ] - [ 0.0004611500000000, 0.0006754800000000, 0.0006924600000000 ] - [ 0.0002576100000000, 0.0034779600000000, -0.0004924600000000 ] - [ 0.0002466200000000, 0.0055978600000000, -0.0004878900000000 ] - [ -0.0003632100000000, -0.0017312700000000, -0.0009761900000000 ] - [ 0.0017862900000000, -0.0027357100000000, -0.0015699900000000 ] - [ 0.0008579900000000, -0.0017427900000000, -0.0000145600000000 ] - [ -0.0012849400000000, -0.0027481700000000, 0.0005756300000000 ] - [ -0.0009225000000000, 0.0004089200000000, 0.0005472200000000 ] - [ -0.0002010700000000, 0.0003651200000000, 0.0002067600000000 ] - [ -0.0002496800000000, -0.0007848300000000, -0.0004930100000000 ] - [ -0.0002477600000000, -0.0007221200000000, -0.0004943900000000 ] - [ 0.0004291300000000, 0.0004002300000000, -0.0015442000000000 ] - [ -0.0002944800000000, 0.0003620000000000, -0.0011969700000000 ] - [ 0.0002475700000000, 0.0004998300000000, 0.0004974200000000 ] - [ 0.0002478100000000, 0.0002983000000000, 0.0004964000000000 ] - [ 0.0002976300000000, -0.0002504600000000, 0.0001496700000000 ] - [ 0.0003532900000000, -0.0001497700000000, 0.0003456300000000 ] - [ 0.0001984400000000, -0.0002527400000000, 0.0008405800000000 ] - [ 0.0001431100000000, -0.0001509900000000, 0.0006456500000000 ] - [ 0.0041824000000000, 0.0103396100000000, 0.0013825100000000 ] - [ -0.0005486500000000, 0.0006134100000000, 0.0005507900000000 ] - [ 0.0004628400000000, -0.0065570300000000, 0.0002347000000000 ] - [ 0.0004528500000000, -0.0012281300000000, 0.0002461700000000 ] - [ -0.0035078400000000, 0.0096141800000000, -0.0003918700000000 ] - [ 0.0014593100000000, 0.0006075300000000, -0.0000599300000000 ] - [ -0.0004456100000000, 0.0041928700000000, -0.0002480400000000 ] - [ -0.0004794700000000, 0.0135490800000000, -0.0002175900000000 ] - [ -0.0023897400000000, -0.0020492500000000, -0.0006590800000000 ] - [ 0.0037617300000000, -0.0045820700000000, -0.0021489800000000 ] - [ 0.0014753000000000, -0.0020588500000000, 0.0001644300000000 ] - [ -0.0046396100000000, -0.0045735800000000, 0.0016416800000000 ] - [ 0.0003743500000000, 0.0001937400000000, -0.0001831800000000 ] - [ 0.0005341400000000, 0.0002036100000000, -0.0001733800000000 ] - [ 0.0004536800000000, -0.0003872800000000, -0.0002456900000000 ] - [ 0.0004543500000000, -0.0004082300000000, -0.0002457300000000 ] - [ 0.0005336000000000, 0.0001913700000000, -0.0003089600000000 ] - [ 0.0003737600000000, 0.0002019800000000, -0.0003175900000000 ] - [ -0.0004545200000000, 0.0006127800000000, 0.0002440000000000 ] - [ -0.0004537900000000, 0.0002938900000000, 0.0002458400000000 ] - [ -0.0004861200000000, -0.0003051600000000, 0.0005489800000000 ] - [ -0.0003260200000000, -0.0001453700000000, 0.0003466500000000 ] - [ -0.0004224800000000, -0.0003077800000000, -0.0000562700000000 ] - [ -0.0005808700000000, -0.0001464500000000, 0.0001455000000000 ] - [ 0.0001533500000000, 0.0002136700000000, -0.0000101400000000 ] - [ 0.0001519600000000, 0.0004256000000000, -0.0000097800000000 ] - [ 0.0000393600000000, -0.0001067900000000, -0.0000001800000000 ] - [ 0.0000562300000000, -0.0002124100000000, 0.0000079900000000 ] - [ 0.0002656400000000, -0.0001078600000000, -0.0000198800000000 ] - [ 0.0002474100000000, -0.0002141600000000, -0.0000274900000000 ] - [ 0.0001814000000000, 0.0002873900000000, 0.0005722900000000 ] - [ -0.0001872800000000, 0.0001861900000000, 0.0001637700000000 ] - [ -0.0001519700000000, -0.0005701800000000, 0.0000117200000000 ] - [ -0.0001521000000000, -0.0003692700000000, 0.0000103800000000 ] - [ -0.0004876400000000, 0.0002851500000000, -0.0005522000000000 ] - [ -0.0001160300000000, 0.0001838600000000, -0.0001446300000000 ] - [ 0.0002051800000000, 0.0130245000000000, 0.0000344100000000 ] - [ 0.0001460800000000, 0.0025730200000000, 0.0000152800000000 ] - [ -0.0032581100000000, -0.0043368700000000, -0.0030367300000000 ] - [ 0.0008814400000000, -0.0012963900000000, -0.0001634900000000 ] - [ 0.0035346000000000, -0.0043328700000000, 0.0030375100000000 ] - [ -0.0005723200000000, -0.0013034500000000, 0.0001822700000000 ] - [ 0.0016849400000000, 0.0128926600000000, -0.0041981000000000 ] - [ 0.0013741600000000, 0.0007976100000000, 0.0002501600000000 ] - [ -0.0001675700000000, -0.0069528000000000, -0.0000144400000000 ] - [ -0.0001485200000000, -0.0015148000000000, -0.0000099500000000 ] - [ -0.0013152000000000, 0.0120415000000000, 0.0041853500000000 ] - [ -0.0016830100000000, 0.0007841800000000, -0.0002719100000000 ] - [ 0.0002179400000000, -0.0008643700000000, -0.0049303700000000 ] - [ -0.0001645600000000, -0.0002693600000000, -0.0001797000000000 ] - [ -0.0001252100000000, 0.0022946000000000, 0.0001774400000000 ] - [ -0.0001246400000000, 0.0005361900000000, 0.0001833500000000 ] - [ -0.0004546300000000, -0.0008352700000000, 0.0052917200000000 ] - [ -0.0000865100000000, -0.0002668100000000, 0.0005485600000000 ] - [ 0.0001231200000000, -0.0005991200000000, -0.0001867300000000 ] - [ 0.0001249500000000, -0.0006313300000000, -0.0001852400000000 ] - [ 0.0003207000000000, 0.0002986100000000, 0.0002265900000000 ] - [ -0.0000366100000000, 0.0003146400000000, 0.0003139100000000 ] - [ -0.0000716600000000, 0.0003013900000000, -0.0005940900000000 ] - [ 0.0002848500000000, 0.0003166500000000, -0.0006804600000000 ] - [ 0.0034110400000000, -0.0008068200000000, -0.0036786100000000 ] - [ -0.0040089900000000, -0.0008033500000000, -0.0023553800000000 ] - [ -0.0001188400000000, 0.0022836500000000, -0.0001873200000000 ] - [ -0.0001287500000000, 0.0019670400000000, -0.0001873800000000 ] - [ -0.0036620900000000, -0.0007747100000000, 0.0033008600000000 ] - [ 0.0037497100000000, -0.0007892300000000, 0.0019851300000000 ] - [ 0.0001299100000000, -0.0031854300000000, 0.0001710900000000 ] - [ 0.0001237100000000, -0.0006343200000000, 0.0001826800000000 ] - [ 0.0003285700000000, 0.0014642900000000, 0.0022625400000000 ] - [ 0.0000684900000000, 0.0003153900000000, 0.0004939500000000 ] - [ -0.0000789000000000, 0.0014678300000000, -0.0018842600000000 ] - [ 0.0001793200000000, 0.0003178100000000, -0.0001248500000000 ] - [ 0.0003326500000000, -0.1727816500000000, 0.0006759300000000 ] - [ 0.0001172800000000, -0.0042311100000000, 0.0004102200000000 ] - [ 0.0012010100000000, 0.0445860700000000, 0.0020212400000000 ] - [ 0.0002793100000000, 0.0021087100000000, 0.0001383700000000 ] - [ -0.0009608700000000, 0.0441944700000000, -0.0011928100000000 ] - [ -0.0000492500000000, 0.0021244200000000, 0.0006757900000000 ] - [ 0.0121246400000000, -0.0036680000000000, 0.0101994500000000 ] - [ -0.0150659100000000, -0.0036836500000000, 0.0059867400000000 ] - [ -0.0000991500000000, 0.0084335300000000, -0.0003971700000000 ] - [ -0.0001317700000000, 0.0087339700000000, -0.0003937900000000 ] - [ -0.0123548100000000, -0.0035642200000000, -0.0109804600000000 ] - [ 0.0147937000000000, -0.0035951300000000, -0.0068034000000000 ] - [ 0.0001132200000000, -0.0017400000000000, -0.0003996500000000 ] - [ 0.0001180200000000, -0.0017399100000000, -0.0004059100000000 ] - [ 0.0004553200000000, 0.0008665200000000, -0.0012937300000000 ] - [ -0.0005117200000000, 0.0008687500000000, -0.0016331800000000 ] - [ -0.0002223200000000, 0.0008759900000000, 0.0004782600000000 ] - [ 0.0007427000000000, 0.0008736400000000, 0.0008135700000000 ] - [ 0.0000523900000000, -0.0006392700000000, 0.0003874300000000 ] - [ -0.0001407400000000, -0.0003644900000000, 0.0004400700000000 ] - [ -0.0001154300000000, 0.0012717200000000, 0.0004067500000000 ] - [ -0.0001171200000000, 0.0007255100000000, 0.0004068000000000 ] - [ -0.0002826600000000, -0.0006325400000000, 0.0004259300000000 ] - [ -0.0000944000000000, -0.0003610000000000, 0.0003727500000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0149236700000000, 0.0000000000000000, 0.0464261200000000 ] - [ -0.0007472900000000, 0.0000000000000000, 0.0019352300000000 ] - [ 0.0007311300000000, 0.0028313000000000, 0.0025801200000000 ] - [ -0.0004050200000000, 0.0003206100000000, 0.0014222600000000 ] - [ 0.0007311300000000, -0.0028313000000000, 0.0025801200000000 ] - [ -0.0004050200000000, -0.0003206100000000, 0.0014222600000000 ] - [ -0.0020261100000000, -0.0018468300000000, -0.0019714700000000 ] - [ 0.0007456300000000, -0.0005793500000000, -0.0015078000000000 ] - [ -0.0006409900000000, 0.0000000000000000, -0.0001967900000000 ] - [ -0.0000178300000000, 0.0000000000000000, -0.0003394000000000 ] - [ -0.0020261100000000, 0.0018468300000000, -0.0019714700000000 ] - [ 0.0007456300000000, 0.0005793500000000, -0.0015078000000000 ] - [ 0.0017410800000000, 0.0000000000000000, -0.0015012700000000 ] - [ -0.0032600700000000, 0.0000000000000000, -0.0045113000000000 ] - [ 0.0008172100000000, 0.0005934600000000, -0.0006194900000000 ] - [ -0.0009821600000000, 0.0010634500000000, -0.0012231700000000 ] - [ 0.0008172100000000, -0.0005934600000000, -0.0006194900000000 ] - [ -0.0009821600000000, -0.0010634500000000, -0.0012231700000000 ] - [ -0.0004761700000000, -0.0006211700000000, -0.0027640300000000 ] - [ -0.0007590700000000, -0.0001469600000000, -0.0013735600000000 ] - [ -0.0005166000000000, 0.0000000000000000, -0.0015493200000000 ] - [ -0.0006381900000000, 0.0000000000000000, -0.0010740000000000 ] - [ -0.0004761700000000, 0.0006211700000000, -0.0027640300000000 ] - [ -0.0007590700000000, 0.0001469600000000, -0.0013735600000000 ] - [ 0.0059664900000000, -0.0062354900000000, 0.0205775500000000 ] - [ 0.0007791100000000, -0.0000530100000000, 0.0022835000000000 ] - [ 0.0000062600000000, 0.0000000000000000, 0.0022487100000000 ] - [ 0.0000787900000000, 0.0000000000000000, 0.0015759100000000 ] - [ 0.0059664900000000, 0.0062354900000000, 0.0205775500000000 ] - [ 0.0007791100000000, 0.0000530100000000, 0.0022835000000000 ] - [ -0.0022214700000000, 0.0000000000000000, -0.0012250100000000 ] - [ 0.0054707900000000, 0.0000000000000000, -0.0023196000000000 ] - [ -0.0003874400000000, -0.0014511800000000, -0.0009710200000000 ] - [ 0.0012143900000000, -0.0021171300000000, -0.0008402500000000 ] - [ -0.0003874400000000, 0.0014511800000000, -0.0009710200000000 ] - [ 0.0012143900000000, 0.0021171300000000, -0.0008402500000000 ] - [ 0.0012988000000000, 0.0009614600000000, -0.0028659900000000 ] - [ -0.0007356700000000, 0.0004886800000000, -0.0012600100000000 ] - [ 0.0000362900000000, 0.0000000000000000, -0.0010364700000000 ] - [ -0.0005549900000000, 0.0000000000000000, -0.0007493900000000 ] - [ 0.0012988000000000, -0.0009614600000000, -0.0028659900000000 ] - [ -0.0007356700000000, -0.0004886800000000, -0.0012600100000000 ] - [ 0.0004766100000000, 0.0000000000000000, -0.0019028300000000 ] - [ 0.0005885900000000, 0.0000000000000000, -0.0006545300000000 ] - [ 0.0004243700000000, -0.0001242800000000, -0.0008386900000000 ] - [ 0.0004529100000000, -0.0000310100000000, -0.0004004900000000 ] - [ 0.0004243700000000, 0.0001242800000000, -0.0008386900000000 ] - [ 0.0004529100000000, 0.0000310100000000, -0.0004004900000000 ] - [ 0.0018028400000000, -0.0013195100000000, 0.0131919300000000 ] - [ -0.0007525700000000, -0.0001924900000000, 0.0014377200000000 ] - [ -0.0003762500000000, 0.0000000000000000, 0.0021059000000000 ] - [ 0.0001340000000000, 0.0000000000000000, 0.0009402700000000 ] - [ 0.0018028400000000, 0.0013195100000000, 0.0131919300000000 ] - [ -0.0007525700000000, 0.0001924900000000, 0.0014377200000000 ] - [ -0.0024905100000000, 0.0000000000000000, 0.0036044500000000 ] - [ -0.0014481600000000, 0.0000000000000000, 0.0105098500000000 ] - [ -0.0008931900000000, -0.0006612500000000, 0.0014711300000000 ] - [ -0.0010361300000000, -0.0007556900000000, 0.0031660600000000 ] - [ -0.0008931900000000, 0.0006612500000000, 0.0014711300000000 ] - [ -0.0010361300000000, 0.0007556900000000, 0.0031660600000000 ] - [ 0.0001703500000000, 0.0001424900000000, -0.0015783500000000 ] - [ 0.0000312900000000, 0.0001871200000000, -0.0013151700000000 ] - [ 0.0002003100000000, 0.0000000000000000, -0.0011661800000000 ] - [ 0.0001562500000000, 0.0000000000000000, -0.0010477400000000 ] - [ 0.0001703500000000, -0.0001424900000000, -0.0015783500000000 ] - [ 0.0000312900000000, -0.0001871200000000, -0.0013151700000000 ] - [ -0.0006538100000000, 0.0000000000000000, -0.0019525200000000 ] - [ -0.0010100800000000, 0.0000000000000000, -0.0005733600000000 ] - [ -0.0006395900000000, 0.0002927800000000, -0.0010258200000000 ] - [ -0.0008051100000000, 0.0000833200000000, -0.0003938000000000 ] - [ -0.0006395900000000, -0.0002927800000000, -0.0010258200000000 ] - [ -0.0008051100000000, -0.0000833200000000, -0.0003938000000000 ] - [ 0.0005642600000000, 0.0000000000000000, -0.0012116900000000 ] - [ 0.0005646400000000, 0.0000000000000000, -0.0016013100000000 ] - [ 0.0004580000000000, 0.0000207300000000, -0.0009196500000000 ] - [ 0.0004319100000000, 0.0000375500000000, -0.0011333000000000 ] - [ 0.0004580000000000, -0.0000207300000000, -0.0009196500000000 ] - [ 0.0004319100000000, -0.0000375500000000, -0.0011333000000000 ] - [ -0.0003452500000000, 0.0003704100000000, -0.0019019100000000 ] - [ 0.0005317700000000, 0.0002392800000000, -0.0008517800000000 ] - [ 0.0000460800000000, 0.0000000000000000, -0.0008754800000000 ] - [ 0.0003662500000000, 0.0000000000000000, -0.0005611200000000 ] - [ -0.0003452500000000, -0.0003704100000000, -0.0019019100000000 ] - [ 0.0005317700000000, -0.0002392800000000, -0.0008517800000000 ] - [ 0.0059015400000000, 0.0000000000000000, 0.0222566800000000 ] - [ 0.0019924500000000, 0.0000000000000000, 0.0011070500000000 ] - [ 0.0001045400000000, -0.0018464500000000, 0.0018176700000000 ] - [ 0.0011517800000000, -0.0009540500000000, 0.0007628200000000 ] - [ 0.0001045400000000, 0.0018464500000000, 0.0018176700000000 ] - [ 0.0011517800000000, 0.0009540500000000, 0.0007628200000000 ] - [ -0.0000449600000000, -0.0016921300000000, 0.0114086500000000 ] - [ 0.0007406900000000, -0.0003553900000000, 0.0022041600000000 ] - [ 0.0009059200000000, 0.0000000000000000, 0.0015596100000000 ] - [ 0.0001199800000000, 0.0000000000000000, 0.0010494300000000 ] - [ -0.0000449600000000, 0.0016921300000000, 0.0114086500000000 ] - [ 0.0007406900000000, 0.0003553900000000, 0.0022041600000000 ] - [ 0.0011405400000000, -0.0048269600000000, 0.0069133700000000 ] - [ -0.0004395600000000, -0.0002306500000000, 0.0000623900000000 ] - [ -0.0000510300000000, 0.0000000000000000, 0.0005399300000000 ] - [ -0.0002818900000000, 0.0000000000000000, -0.0000647800000000 ] - [ 0.0011405400000000, 0.0048269600000000, 0.0069133700000000 ] - [ -0.0004395600000000, 0.0002306500000000, 0.0000623900000000 ] - [ 0.0009447200000000, 0.0000000000000000, 0.0018473300000000 ] - [ -0.0004891300000000, 0.0000000000000000, 0.0020050000000000 ] - [ 0.0004591200000000, 0.0003354400000000, 0.0010606700000000 ] - [ -0.0000789600000000, 0.0003118300000000, 0.0010628900000000 ] - [ 0.0004591200000000, -0.0003354400000000, 0.0010606700000000 ] - [ -0.0000789600000000, -0.0003118300000000, 0.0010628900000000 ] - [ -0.0054611400000000, -0.0038950300000000, -0.0004661000000000 ] - [ 0.0039268900000000, -0.0013603800000000, -0.0007136100000000 ] - [ -0.0008240400000000, 0.0000000000000000, -0.0010233500000000 ] - [ 0.0005485100000000, 0.0000000000000000, -0.0011189800000000 ] - [ -0.0054611400000000, 0.0038950300000000, -0.0004661000000000 ] - [ 0.0039268900000000, 0.0013603800000000, -0.0007136100000000 ] - [ 0.0000602900000000, 0.0000000000000000, 0.0092316900000000 ] - [ -0.0000434300000000, 0.0000000000000000, 0.0009771500000000 ] - [ 0.0002447900000000, 0.0015346200000000, 0.0017740400000000 ] - [ 0.0000095000000000, 0.0002548300000000, 0.0007305000000000 ] - [ 0.0002447900000000, -0.0015346200000000, 0.0017740400000000 ] - [ 0.0000095000000000, -0.0002548300000000, 0.0007305000000000 ] - [ 0.0002988700000000, 0.0000000000000000, -0.1538134000000000 ] - [ -0.0002116500000000, 0.0000000000000000, -0.0048113400000000 ] - [ -0.0009169500000000, -0.0016604700000000, -0.0181390900000000 ] - [ 0.0000278500000000, 0.0002669200000000, -0.0032983000000000 ] - [ -0.0009169500000000, 0.0016604700000000, -0.0181390900000000 ] - [ 0.0000278500000000, -0.0002669200000000, -0.0032983000000000 ] - [ 0.0108225200000000, 0.0106110600000000, -0.0039008400000000 ] - [ -0.0125611100000000, 0.0063853900000000, -0.0025811800000000 ] - [ 0.0002364700000000, 0.0000000000000000, -0.0027890700000000 ] - [ -0.0007986200000000, 0.0000000000000000, -0.0029630800000000 ] - [ 0.0108225200000000, -0.0106110600000000, -0.0039008400000000 ] - [ -0.0125611100000000, -0.0063853900000000, -0.0025811800000000 ] - [ -0.0017125100000000, 0.0000000000000000, 0.0047835100000000 ] - [ 0.0023233300000000, 0.0000000000000000, 0.0047814800000000 ] - [ -0.0008086600000000, -0.0012183100000000, 0.0024417400000000 ] - [ 0.0011280800000000, -0.0008818700000000, 0.0024432800000000 ] - [ -0.0008086600000000, 0.0012183100000000, 0.0024417400000000 ] - [ 0.0011280800000000, 0.0008818700000000, 0.0024432800000000 ] - [ 0.0000614000000000, 0.0000243300000000, 0.0058961300000000 ] - [ -0.0000317100000000, -0.0000321200000000, 0.0033918100000000 ] - [ 0.0000367600000000, 0.0000000000000000, 0.0038606800000000 ] - [ -0.0000616900000000, 0.0000000000000000, 0.0027961900000000 ] - [ 0.0000614000000000, -0.0000243300000000, 0.0058961300000000 ] - [ -0.0000317100000000, 0.0000321200000000, 0.0033918100000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0170067800000000, 0.0000000000000000, -0.0491382100000000 ] - [ 0.0013750000000000, 0.0000000000000000, -0.0019032500000000 ] - [ -0.0000923100000000, -0.0028406200000000, -0.0025681900000000 ] - [ 0.0010351700000000, -0.0003203500000000, -0.0013861600000000 ] - [ -0.0000923100000000, 0.0028406200000000, -0.0025681900000000 ] - [ 0.0010351700000000, 0.0003203500000000, -0.0013861600000000 ] - [ 0.0013769300000000, 0.0018354700000000, 0.0019343500000000 ] - [ -0.0013778300000000, 0.0005750800000000, 0.0014797100000000 ] - [ 0.0000090100000000, 0.0000000000000000, 0.0001624400000000 ] - [ -0.0006155400000000, 0.0000000000000000, 0.0003040300000000 ] - [ 0.0013769300000000, -0.0018354700000000, 0.0019343500000000 ] - [ -0.0013778300000000, -0.0005750800000000, 0.0014797100000000 ] - [ -0.0011192700000000, 0.0000000000000000, 0.0014591000000000 ] - [ 0.0039261600000000, 0.0000000000000000, 0.0044972200000000 ] - [ -0.0001896100000000, -0.0005967500000000, 0.0005723300000000 ] - [ 0.0016187700000000, -0.0010693800000000, 0.0011730500000000 ] - [ -0.0001896100000000, 0.0005967500000000, 0.0005723300000000 ] - [ 0.0016187700000000, 0.0010693800000000, 0.0011730500000000 ] - [ -0.0001508500000000, 0.0006147200000000, 0.0028051100000000 ] - [ 0.0001272000000000, 0.0001463600000000, 0.0014220100000000 ] - [ -0.0001122100000000, 0.0000000000000000, 0.0015987300000000 ] - [ 0.0000066600000000, 0.0000000000000000, 0.0011215200000000 ] - [ -0.0001508500000000, -0.0006147200000000, 0.0028051100000000 ] - [ 0.0001272000000000, -0.0001463600000000, 0.0014220100000000 ] - [ -0.0066960600000000, 0.0067821200000000, -0.0198297700000000 ] - [ -0.0012812400000000, 0.0000536500000000, -0.0012997000000000 ] - [ -0.0005065600000000, 0.0000000000000000, -0.0012699900000000 ] - [ -0.0005768500000000, 0.0000000000000000, -0.0005893700000000 ] - [ -0.0066960600000000, -0.0067821200000000, -0.0198297700000000 ] - [ -0.0012812400000000, -0.0000536500000000, -0.0012997000000000 ] - [ 0.0027182500000000, 0.0000000000000000, 0.0002413000000000 ] - [ -0.0049077800000000, 0.0000000000000000, 0.0013360500000000 ] - [ 0.0008847700000000, 0.0014490500000000, -0.0000155200000000 ] - [ -0.0007159800000000, 0.0021221900000000, -0.0001399000000000 ] - [ 0.0008847700000000, -0.0014490500000000, -0.0000155200000000 ] - [ -0.0007159800000000, -0.0021221900000000, -0.0001399000000000 ] - [ -0.0018046100000000, -0.0009679300000000, 0.0018824800000000 ] - [ 0.0002440200000000, -0.0004927400000000, 0.0002644200000000 ] - [ -0.0005314400000000, 0.0000000000000000, 0.0000402100000000 ] - [ 0.0000607000000000, 0.0000000000000000, -0.0002470000000000 ] - [ -0.0018046100000000, 0.0009679300000000, 0.0018824800000000 ] - [ 0.0002440200000000, 0.0004927400000000, 0.0002644200000000 ] - [ 0.0000181000000000, 0.0000000000000000, 0.0028899500000000 ] - [ -0.0000925900000000, 0.0000000000000000, 0.0016503500000000 ] - [ 0.0000708200000000, 0.0001212400000000, 0.0018341000000000 ] - [ 0.0000421000000000, 0.0000301500000000, 0.0013964500000000 ] - [ 0.0000708200000000, -0.0001212400000000, 0.0018341000000000 ] - [ 0.0000421000000000, -0.0000301500000000, 0.0013964500000000 ] - [ -0.0010424300000000, 0.0017663300000000, -0.0123471600000000 ] - [ 0.0016586300000000, 0.0001936900000000, -0.0009437900000000 ] - [ 0.0012807100000000, 0.0000000000000000, -0.0016048100000000 ] - [ 0.0007752300000000, 0.0000000000000000, -0.0004468500000000 ] - [ -0.0010424300000000, -0.0017663300000000, -0.0123471600000000 ] - [ 0.0016586300000000, -0.0001936900000000, -0.0009437900000000 ] - [ 0.0015840600000000, 0.0000000000000000, -0.0040909500000000 ] - [ 0.0004166700000000, 0.0000000000000000, -0.0109481900000000 ] - [ -0.0000073200000000, 0.0006651600000000, -0.0019615500000000 ] - [ 0.0001182300000000, 0.0007611100000000, -0.0036520700000000 ] - [ -0.0000073200000000, -0.0006651600000000, -0.0019615500000000 ] - [ 0.0001182300000000, -0.0007611100000000, -0.0036520700000000 ] - [ 0.0007363000000000, -0.0001448300000000, 0.0010885300000000 ] - [ 0.0008794800000000, -0.0001895900000000, 0.0008251400000000 ] - [ 0.0007077000000000, 0.0000000000000000, 0.0006756900000000 ] - [ 0.0007530200000000, 0.0000000000000000, 0.0005567100000000 ] - [ 0.0007363000000000, 0.0001448300000000, 0.0010885300000000 ] - [ 0.0008794800000000, 0.0001895900000000, 0.0008251400000000 ] - [ -0.0002557500000000, 0.0000000000000000, 0.0024516800000000 ] - [ 0.0001043800000000, 0.0000000000000000, 0.0010660800000000 ] - [ -0.0002692500000000, -0.0002965300000000, 0.0015201800000000 ] - [ -0.0001025900000000, -0.0000842800000000, 0.0008858900000000 ] - [ -0.0002692500000000, 0.0002965300000000, 0.0015201800000000 ] - [ -0.0001025900000000, 0.0000842800000000, 0.0008858900000000 ] - [ -0.0002630600000000, 0.0000000000000000, 0.0011950000000000 ] - [ -0.0002595600000000, 0.0000000000000000, 0.0015837900000000 ] - [ -0.0001553500000000, -0.0000215000000000, 0.0009023700000000 ] - [ -0.0001258200000000, -0.0000402500000000, 0.0011154000000000 ] - [ -0.0001553500000000, 0.0000215000000000, 0.0009023700000000 ] - [ -0.0001258200000000, 0.0000402500000000, 0.0011154000000000 ] - [ 0.0000462000000000, -0.0003742600000000, 0.0019278300000000 ] - [ -0.0008397900000000, -0.0002410900000000, 0.0008722100000000 ] - [ -0.0003496500000000, 0.0000000000000000, 0.0008942500000000 ] - [ -0.0006731200000000, 0.0000000000000000, 0.0005803400000000 ] - [ 0.0000462000000000, 0.0003742600000000, 0.0019278300000000 ] - [ -0.0008397900000000, 0.0002410900000000, 0.0008722100000000 ] - [ -0.0046507300000000, 0.0000000000000000, -0.0212216200000000 ] - [ -0.0017036200000000, 0.0000000000000000, -0.0010719900000000 ] - [ 0.0002055100000000, 0.0018497000000000, -0.0017774300000000 ] - [ -0.0008512000000000, 0.0009562600000000, -0.0007414700000000 ] - [ 0.0002055100000000, -0.0018497000000000, -0.0017774300000000 ] - [ -0.0008512000000000, -0.0009562600000000, -0.0007414700000000 ] - [ -0.0002247900000000, 0.0016861000000000, -0.0113884100000000 ] - [ -0.0010597900000000, 0.0003647900000000, -0.0022258400000000 ] - [ -0.0012003600000000, 0.0000000000000000, -0.0015800500000000 ] - [ -0.0004278500000000, 0.0000000000000000, -0.0010711600000000 ] - [ -0.0002247900000000, -0.0016861000000000, -0.0113884100000000 ] - [ -0.0010597900000000, -0.0003647900000000, -0.0022258400000000 ] - [ -0.0014031500000000, 0.0048825800000000, -0.0065918000000000 ] - [ 0.0001942800000000, 0.0002316700000000, 0.0003118700000000 ] - [ -0.0001985400000000, 0.0000000000000000, -0.0001625800000000 ] - [ 0.0000347700000000, 0.0000000000000000, 0.0004386500000000 ] - [ -0.0014031500000000, -0.0048825800000000, -0.0065918000000000 ] - [ 0.0001942800000000, -0.0002316700000000, 0.0003118700000000 ] - [ -0.0006900900000000, 0.0000000000000000, -0.0022173000000000 ] - [ 0.0007305800000000, 0.0000000000000000, -0.0023737900000000 ] - [ -0.0002090300000000, -0.0003333800000000, -0.0014330500000000 ] - [ 0.0003253700000000, -0.0003100800000000, -0.0014372000000000 ] - [ -0.0002090300000000, 0.0003333800000000, -0.0014330500000000 ] - [ 0.0003253700000000, 0.0003100800000000, -0.0014372000000000 ] - [ 0.0052417600000000, 0.0039229200000000, 0.0001172900000000 ] - [ -0.0041843100000000, 0.0013644400000000, 0.0003698900000000 ] - [ 0.0005735400000000, 0.0000000000000000, 0.0006646100000000 ] - [ -0.0007952400000000, 0.0000000000000000, 0.0007600300000000 ] - [ 0.0052417600000000, -0.0039229200000000, 0.0001172900000000 ] - [ -0.0041843100000000, -0.0013644400000000, 0.0003698900000000 ] - [ 0.0001913000000000, 0.0000000000000000, -0.0087840500000000 ] - [ 0.0002937900000000, 0.0000000000000000, -0.0006161000000000 ] - [ 0.0000025100000000, -0.0015267100000000, -0.0014132300000000 ] - [ 0.0002407500000000, -0.0002547200000000, -0.0003680700000000 ] - [ 0.0000025100000000, 0.0015267100000000, -0.0014132300000000 ] - [ 0.0002407500000000, 0.0002547200000000, -0.0003680700000000 ] - [ -0.0017477700000000, 0.0000000000000000, 0.1561758000000000 ] - [ 0.0004668600000000, 0.0000000000000000, 0.0056365200000000 ] - [ 0.0011563700000000, 0.0015529600000000, 0.0189566500000000 ] - [ 0.0002098100000000, -0.0002707300000000, 0.0041195600000000 ] - [ 0.0011563700000000, -0.0015529600000000, 0.0189566500000000 ] - [ 0.0002098100000000, 0.0002707300000000, 0.0041195600000000 ] - [ -0.0110359400000000, -0.0105696900000000, 0.0030157400000000 ] - [ 0.0123212400000000, -0.0064055200000000, 0.0016750300000000 ] - [ -0.0004784700000000, 0.0000000000000000, 0.0019592400000000 ] - [ 0.0005762700000000, 0.0000000000000000, 0.0021367300000000 ] - [ -0.0110359400000000, 0.0105696900000000, 0.0030157400000000 ] - [ 0.0123212400000000, 0.0064055200000000, 0.0016750300000000 ] - [ 0.0019607800000000, 0.0000000000000000, -0.0056085600000000 ] - [ -0.0021099100000000, 0.0000000000000000, -0.0056105600000000 ] - [ 0.0010490800000000, 0.0012281800000000, -0.0032557100000000 ] - [ -0.0009012100000000, 0.0008897100000000, -0.0032541400000000 ] - [ 0.0010490800000000, -0.0012281800000000, -0.0032557100000000 ] - [ -0.0009012100000000, -0.0008897100000000, -0.0032541400000000 ] - [ -0.0002950600000000, -0.0000145800000000, -0.0050893300000000 ] - [ -0.0002006600000000, 0.0000347800000000, -0.0025861400000000 ] - [ -0.0002723700000000, 0.0000000000000000, -0.0030545100000000 ] - [ -0.0001702800000000, 0.0000000000000000, -0.0019890800000000 ] - [ -0.0002950600000000, 0.0000145800000000, -0.0050893300000000 ] - [ -0.0002006600000000, -0.0000347800000000, -0.0025861400000000 ]