# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/c9d1ba35-3157-455b-ae84-55aa45f04ae1/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 Na2Zr12B2I5Cl23 / Pc (7) / materials id 532604](https://mdr.nims.go.jp/datasets/51314cb8-338c-49a7-9824-55c4e5848b8c) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pc" number: 7 Hall_symbol: "P -2yc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 13.142337820000000, 0.000000000000000, 0.004919150000000 ] # a - [ 0.000000000000000, 13.332238700000000, 0.000000000000000 ] # b - [ -0.002700480000000, 0.000000000000000, 13.143844570000001 ] # c points: - symbol: B # 1 coordinates: [ 0.995258610000000, 0.747613610000000, 0.998995880000000 ] mass: 10.811000 - symbol: B # 2 coordinates: [ 0.995258610000000, 0.252386390000000, 0.498995880000000 ] mass: 10.811000 - symbol: B # 3 coordinates: [ 0.504852260000000, 0.749390600000000, 0.500440640000000 ] mass: 10.811000 - symbol: B # 4 coordinates: [ 0.504852260000000, 0.250609400000000, 0.000440640000000 ] mass: 10.811000 - symbol: Cl # 5 coordinates: [ 0.981335950000000, 0.631994400000000, 0.243216680000000 ] mass: 35.453000 - symbol: Cl # 6 coordinates: [ 0.981335950000000, 0.368005600000000, 0.743216680000000 ] mass: 35.453000 - symbol: Cl # 7 coordinates: [ 0.899312900000000, 0.380019340000000, 0.281898480000000 ] mass: 35.453000 - symbol: Cl # 8 coordinates: [ 0.899312900000000, 0.619980660000000, 0.781898480000000 ] mass: 35.453000 - symbol: Cl # 9 coordinates: [ 0.881048920000000, 0.507718250000000, 0.023271710000000 ] mass: 35.453000 - symbol: Cl # 10 coordinates: [ 0.881048920000000, 0.492281750000000, 0.523271710000000 ] mass: 35.453000 - symbol: Cl # 11 coordinates: [ 0.868441500000000, 0.960137130000000, 0.097587060000000 ] mass: 35.453000 - symbol: Cl # 12 coordinates: [ 0.868441500000000, 0.039862870000000, 0.597587060000000 ] mass: 35.453000 - symbol: Cl # 13 coordinates: [ 0.774054180000000, 0.158128690000000, 0.378691070000000 ] mass: 35.453000 - symbol: Cl # 14 coordinates: [ 0.774054180000000, 0.841871310000000, 0.878691070000000 ] mass: 35.453000 - symbol: Cl # 15 coordinates: [ 0.756866150000000, 0.722612070000000, 0.120537200000000 ] mass: 35.453000 - symbol: Cl # 16 coordinates: [ 0.756866150000000, 0.277387930000000, 0.620537200000000 ] mass: 35.453000 - symbol: Cl # 17 coordinates: [ 0.744230630000000, 0.229903340000000, 0.119773140000000 ] mass: 35.453000 - symbol: Cl # 18 coordinates: [ 0.744230630000000, 0.770096660000000, 0.619773140000000 ] mass: 35.453000 - symbol: Cl # 19 coordinates: [ 0.723038750000000, 0.652170210000000, 0.377378080000000 ] mass: 35.453000 - symbol: Cl # 20 coordinates: [ 0.723038750000000, 0.347829790000000, 0.877378080000000 ] mass: 35.453000 - symbol: Cl # 21 coordinates: [ 0.623154120000000, 0.468174380000000, 0.100193420000000 ] mass: 35.453000 - symbol: Cl # 22 coordinates: [ 0.623154120000000, 0.531825620000000, 0.600193420000000 ] mass: 35.453000 - symbol: Cl # 23 coordinates: [ 0.621418380000000, 0.011830440000000, 0.020624060000000 ] mass: 35.453000 - symbol: Cl # 24 coordinates: [ 0.621418380000000, 0.988169560000000, 0.520624060000000 ] mass: 35.453000 - symbol: Cl # 25 coordinates: [ 0.601503930000000, 0.870303910000000, 0.279680790000000 ] mass: 35.453000 - symbol: Cl # 26 coordinates: [ 0.601503930000000, 0.129696090000000, 0.779680790000000 ] mass: 35.453000 - symbol: Cl # 27 coordinates: [ 0.521023330000000, 0.133877390000000, 0.242639760000000 ] mass: 35.453000 - symbol: Cl # 28 coordinates: [ 0.521023330000000, 0.866122610000000, 0.742639760000000 ] mass: 35.453000 - symbol: Cl # 29 coordinates: [ 0.480295510000000, 0.630261980000000, 0.257752730000000 ] mass: 35.453000 - symbol: Cl # 30 coordinates: [ 0.480295510000000, 0.369738020000000, 0.757752730000000 ] mass: 35.453000 - symbol: Cl # 31 coordinates: [ 0.402186420000000, 0.369793580000000, 0.220819210000000 ] mass: 35.453000 - symbol: Cl # 32 coordinates: [ 0.402186420000000, 0.630206420000000, 0.720819210000000 ] mass: 35.453000 - symbol: Cl # 33 coordinates: [ 0.382423270000000, 0.489501370000000, 0.977757270000000 ] mass: 35.453000 - symbol: Cl # 34 coordinates: [ 0.382423270000000, 0.510498630000000, 0.477757270000000 ] mass: 35.453000 - symbol: Cl # 35 coordinates: [ 0.381798710000000, 0.967766050000000, 0.401456440000000 ] mass: 35.453000 - symbol: Cl # 36 coordinates: [ 0.381798710000000, 0.032233950000000, 0.901456440000000 ] mass: 35.453000 - symbol: Cl # 37 coordinates: [ 0.280569760000000, 0.151753650000000, 0.117601140000000 ] mass: 35.453000 - symbol: Cl # 38 coordinates: [ 0.280569760000000, 0.848246350000000, 0.617601140000000 ] mass: 35.453000 - symbol: Cl # 39 coordinates: [ 0.260706420000000, 0.728429950000000, 0.379127320000000 ] mass: 35.453000 - symbol: Cl # 40 coordinates: [ 0.260706420000000, 0.271570050000000, 0.879127320000000 ] mass: 35.453000 - symbol: Cl # 41 coordinates: [ 0.239419320000000, 0.230507380000000, 0.377927520000000 ] mass: 35.453000 - symbol: Cl # 42 coordinates: [ 0.239419320000000, 0.769492620000000, 0.877927520000000 ] mass: 35.453000 - symbol: Cl # 43 coordinates: [ 0.221484930000000, 0.652204170000000, 0.117435160000000 ] mass: 35.453000 - symbol: Cl # 44 coordinates: [ 0.221484930000000, 0.347795830000000, 0.617435160000000 ] mass: 35.453000 - symbol: Cl # 45 coordinates: [ 0.121674040000000, 0.527577600000000, 0.903458100000000 ] mass: 35.453000 - symbol: Cl # 46 coordinates: [ 0.121674040000000, 0.472422400000000, 0.403458100000000 ] mass: 35.453000 - symbol: Cl # 47 coordinates: [ 0.114299760000000, 0.987970460000000, 0.976448100000000 ] mass: 35.453000 - symbol: Cl # 48 coordinates: [ 0.114299760000000, 0.012029540000000, 0.476448100000000 ] mass: 35.453000 - symbol: Cl # 49 coordinates: [ 0.097557190000000, 0.867454560000000, 0.218977860000000 ] mass: 35.453000 - symbol: Cl # 50 coordinates: [ 0.097557190000000, 0.132545440000000, 0.718977860000000 ] mass: 35.453000 - symbol: I # 51 coordinates: [ 0.869564000000000, 0.883923460000000, 0.370936660000000 ] mass: 126.904470 - symbol: I # 52 coordinates: [ 0.869564000000000, 0.116076540000000, 0.870936660000000 ] mass: 126.904470 - symbol: I # 53 coordinates: [ 0.629204260000000, 0.384336300000000, 0.370560870000000 ] mass: 126.904470 - symbol: I # 54 coordinates: [ 0.629204260000000, 0.615663700000000, 0.870560870000000 ] mass: 126.904470 - symbol: I # 55 coordinates: [ 0.365624290000000, 0.114541110000000, 0.633349020000000 ] mass: 126.904470 - symbol: I # 56 coordinates: [ 0.365624290000000, 0.885458890000000, 0.133349020000000 ] mass: 126.904470 - symbol: I # 57 coordinates: [ 0.136998660000000, 0.611622050000000, 0.635634480000000 ] mass: 126.904470 - symbol: I # 58 coordinates: [ 0.136998660000000, 0.388377950000000, 0.135634480000000 ] mass: 126.904470 - symbol: I # 59 coordinates: [ 0.012094280000000, 0.129582260000000, 0.227205460000000 ] mass: 126.904470 - symbol: I # 60 coordinates: [ 0.012094280000000, 0.870417740000000, 0.727205460000000 ] mass: 126.904470 - symbol: Na # 61 coordinates: [ 0.286141360000000, 0.535621070000000, 0.282486420000000 ] mass: 22.989769 - symbol: Na # 62 coordinates: [ 0.286141360000000, 0.464378930000000, 0.782486420000000 ] mass: 22.989769 - symbol: Na # 63 coordinates: [ 0.221483770000000, 0.031190020000000, 0.283865620000000 ] mass: 22.989769 - symbol: Na # 64 coordinates: [ 0.221483770000000, 0.968809980000000, 0.783865620000000 ] mass: 22.989769 - symbol: Zr # 65 coordinates: [ 0.945287710000000, 0.099888980000000, 0.435083650000000 ] mass: 91.224000 - symbol: Zr # 66 coordinates: [ 0.945287710000000, 0.900111020000000, 0.935083650000000 ] mass: 91.224000 - symbol: Zr # 67 coordinates: [ 0.931147000000000, 0.792228740000000, 0.154547680000000 ] mass: 91.224000 - symbol: Zr # 68 coordinates: [ 0.931147000000000, 0.207771260000000, 0.654547680000000 ] mass: 91.224000 - symbol: Zr # 69 coordinates: [ 0.841993660000000, 0.319141680000000, 0.453722000000000 ] mass: 91.224000 - symbol: Zr # 70 coordinates: [ 0.841993660000000, 0.680858320000000, 0.953722000000000 ] mass: 91.224000 - symbol: Zr # 71 coordinates: [ 0.658733420000000, 0.813861530000000, 0.453552850000000 ] mass: 91.224000 - symbol: Zr # 72 coordinates: [ 0.658733420000000, 0.186138470000000, 0.953552850000000 ] mass: 91.224000 - symbol: Zr # 73 coordinates: [ 0.568951210000000, 0.296349550000000, 0.155246830000000 ] mass: 91.224000 - symbol: Zr # 74 coordinates: [ 0.568951210000000, 0.703650450000000, 0.655246830000000 ] mass: 91.224000 - symbol: Zr # 75 coordinates: [ 0.551753450000000, 0.596726180000000, 0.436291410000000 ] mass: 91.224000 - symbol: Zr # 76 coordinates: [ 0.551753450000000, 0.403273820000000, 0.936291410000000 ] mass: 91.224000 - symbol: Zr # 77 coordinates: [ 0.458767260000000, 0.098210300000000, 0.065555680000000 ] mass: 91.224000 - symbol: Zr # 78 coordinates: [ 0.458767260000000, 0.901789700000000, 0.565555680000000 ] mass: 91.224000 - symbol: Zr # 79 coordinates: [ 0.440513450000000, 0.795507590000000, 0.345402990000000 ] mass: 91.224000 - symbol: Zr # 80 coordinates: [ 0.440513450000000, 0.204492410000000, 0.845402990000000 ] mass: 91.224000 - symbol: Zr # 81 coordinates: [ 0.349234740000000, 0.313873140000000, 0.045642220000000 ] mass: 91.224000 - symbol: Zr # 82 coordinates: [ 0.349234740000000, 0.686126860000000, 0.545642220000000 ] mass: 91.224000 - symbol: Zr # 83 coordinates: [ 0.150240350000000, 0.187489160000000, 0.543452030000000 ] mass: 91.224000 - symbol: Zr # 84 coordinates: [ 0.150240350000000, 0.812510840000000, 0.043452030000000 ] mass: 91.224000 - symbol: Zr # 85 coordinates: [ 0.060937220000000, 0.697286420000000, 0.845160670000000 ] mass: 91.224000 - symbol: Zr # 86 coordinates: [ 0.060937220000000, 0.302713580000000, 0.345160670000000 ] mass: 91.224000 - symbol: Zr # 87 coordinates: [ 0.043474950000000, 0.595977840000000, 0.066114620000000 ] mass: 91.224000 - symbol: Zr # 88 coordinates: [ 0.043474950000000, 0.404022160000000, 0.566114620000000 ] mass: 91.224000 reciprocal_lattice: # without 2pi - [ 0.076089957265936, 0.000000000000000, 0.000015633128245 ] # a* - [ 0.000000000000000, 0.075006157818041, 0.000000000000000 ] # b* - [ -0.000028477049564, 0.000000000000000, 0.076081234662553 ] # c*unit_cell: lattice: - [ 13.142337820000000, 0.000000000000000, 0.004919150000000 ] # a - [ 0.000000000000000, 13.332238700000000, 0.000000000000000 ] # b - [ -0.002700480000000, 0.000000000000000, 13.143844570000001 ] # c points: - symbol: B # 1 coordinates: [ 0.995258610000000, 0.747613610000000, 0.998995880000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.995258610000000, 0.252386390000000, 0.498995880000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 3 coordinates: [ 0.504852260000000, 0.749390600000000, 0.500440640000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.504852260000000, 0.250609400000000, 0.000440640000000 ] mass: 10.811000 reduced_to: 4 - symbol: Cl # 5 coordinates: [ 0.981335950000000, 0.631994400000000, 0.243216680000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 6 coordinates: [ 0.981335950000000, 0.368005600000000, 0.743216680000000 ] mass: 35.453000 reduced_to: 6 - symbol: Cl # 7 coordinates: [ 0.899312900000000, 0.380019340000000, 0.281898480000000 ] mass: 35.453000 reduced_to: 7 - symbol: Cl # 8 coordinates: [ 0.899312900000000, 0.619980660000000, 0.781898480000000 ] mass: 35.453000 reduced_to: 8 - symbol: Cl # 9 coordinates: [ 0.881048920000000, 0.507718250000000, 0.023271710000000 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 10 coordinates: [ 0.881048920000000, 0.492281750000000, 0.523271710000000 ] mass: 35.453000 reduced_to: 10 - symbol: Cl # 11 coordinates: [ 0.868441500000000, 0.960137130000000, 0.097587060000000 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 12 coordinates: [ 0.868441500000000, 0.039862870000000, 0.597587060000000 ] mass: 35.453000 reduced_to: 12 - symbol: Cl # 13 coordinates: [ 0.774054180000000, 0.158128690000000, 0.378691070000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 14 coordinates: [ 0.774054180000000, 0.841871310000000, 0.878691070000000 ] mass: 35.453000 reduced_to: 14 - symbol: Cl # 15 coordinates: [ 0.756866150000000, 0.722612070000000, 0.120537200000000 ] mass: 35.453000 reduced_to: 15 - symbol: Cl # 16 coordinates: [ 0.756866150000000, 0.277387930000000, 0.620537200000000 ] mass: 35.453000 reduced_to: 16 - symbol: Cl # 17 coordinates: [ 0.744230630000000, 0.229903340000000, 0.119773140000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 18 coordinates: [ 0.744230630000000, 0.770096660000000, 0.619773140000000 ] mass: 35.453000 reduced_to: 18 - symbol: Cl # 19 coordinates: [ 0.723038750000000, 0.652170210000000, 0.377378080000000 ] mass: 35.453000 reduced_to: 19 - symbol: Cl # 20 coordinates: [ 0.723038750000000, 0.347829790000000, 0.877378080000000 ] mass: 35.453000 reduced_to: 20 - symbol: Cl # 21 coordinates: [ 0.623154120000000, 0.468174380000000, 0.100193420000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 22 coordinates: [ 0.623154120000000, 0.531825620000000, 0.600193420000000 ] mass: 35.453000 reduced_to: 22 - symbol: Cl # 23 coordinates: [ 0.621418380000000, 0.011830440000000, 0.020624060000000 ] mass: 35.453000 reduced_to: 23 - symbol: Cl # 24 coordinates: [ 0.621418380000000, 0.988169560000000, 0.520624060000000 ] mass: 35.453000 reduced_to: 24 - symbol: Cl # 25 coordinates: [ 0.601503930000000, 0.870303910000000, 0.279680790000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 26 coordinates: [ 0.601503930000000, 0.129696090000000, 0.779680790000000 ] mass: 35.453000 reduced_to: 26 - symbol: Cl # 27 coordinates: [ 0.521023330000000, 0.133877390000000, 0.242639760000000 ] mass: 35.453000 reduced_to: 27 - symbol: Cl # 28 coordinates: [ 0.521023330000000, 0.866122610000000, 0.742639760000000 ] mass: 35.453000 reduced_to: 28 - symbol: Cl # 29 coordinates: [ 0.480295510000000, 0.630261980000000, 0.257752730000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 30 coordinates: [ 0.480295510000000, 0.369738020000000, 0.757752730000000 ] mass: 35.453000 reduced_to: 30 - symbol: Cl # 31 coordinates: [ 0.402186420000000, 0.369793580000000, 0.220819210000000 ] mass: 35.453000 reduced_to: 31 - symbol: Cl # 32 coordinates: [ 0.402186420000000, 0.630206420000000, 0.720819210000000 ] mass: 35.453000 reduced_to: 32 - symbol: Cl # 33 coordinates: [ 0.382423270000000, 0.489501370000000, 0.977757270000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 34 coordinates: [ 0.382423270000000, 0.510498630000000, 0.477757270000000 ] mass: 35.453000 reduced_to: 34 - symbol: Cl # 35 coordinates: [ 0.381798710000000, 0.967766050000000, 0.401456440000000 ] mass: 35.453000 reduced_to: 35 - symbol: Cl # 36 coordinates: [ 0.381798710000000, 0.032233950000000, 0.901456440000000 ] mass: 35.453000 reduced_to: 36 - symbol: Cl # 37 coordinates: [ 0.280569760000000, 0.151753650000000, 0.117601140000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 38 coordinates: [ 0.280569760000000, 0.848246350000000, 0.617601140000000 ] mass: 35.453000 reduced_to: 38 - symbol: Cl # 39 coordinates: [ 0.260706420000000, 0.728429950000000, 0.379127320000000 ] mass: 35.453000 reduced_to: 39 - symbol: Cl # 40 coordinates: [ 0.260706420000000, 0.271570050000000, 0.879127320000000 ] mass: 35.453000 reduced_to: 40 - symbol: Cl # 41 coordinates: [ 0.239419320000000, 0.230507380000000, 0.377927520000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 42 coordinates: [ 0.239419320000000, 0.769492620000000, 0.877927520000000 ] mass: 35.453000 reduced_to: 42 - symbol: Cl # 43 coordinates: [ 0.221484930000000, 0.652204170000000, 0.117435160000000 ] mass: 35.453000 reduced_to: 43 - symbol: Cl # 44 coordinates: [ 0.221484930000000, 0.347795830000000, 0.617435160000000 ] mass: 35.453000 reduced_to: 44 - symbol: Cl # 45 coordinates: [ 0.121674040000000, 0.527577600000000, 0.903458100000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.121674040000000, 0.472422400000000, 0.403458100000000 ] mass: 35.453000 reduced_to: 46 - symbol: Cl # 47 coordinates: [ 0.114299760000000, 0.987970460000000, 0.976448100000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 48 coordinates: [ 0.114299760000000, 0.012029540000000, 0.476448100000000 ] mass: 35.453000 reduced_to: 48 - symbol: Cl # 49 coordinates: [ 0.097557190000000, 0.867454560000000, 0.218977860000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 50 coordinates: [ 0.097557190000000, 0.132545440000000, 0.718977860000000 ] mass: 35.453000 reduced_to: 50 - symbol: I # 51 coordinates: [ 0.869564000000000, 0.883923460000000, 0.370936660000000 ] mass: 126.904470 reduced_to: 51 - symbol: I # 52 coordinates: [ 0.869564000000000, 0.116076540000000, 0.870936660000000 ] mass: 126.904470 reduced_to: 52 - symbol: I # 53 coordinates: [ 0.629204260000000, 0.384336300000000, 0.370560870000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.629204260000000, 0.615663700000000, 0.870560870000000 ] mass: 126.904470 reduced_to: 54 - symbol: I # 55 coordinates: [ 0.365624290000000, 0.114541110000000, 0.633349020000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 56 coordinates: [ 0.365624290000000, 0.885458890000000, 0.133349020000000 ] mass: 126.904470 reduced_to: 56 - symbol: I # 57 coordinates: [ 0.136998660000000, 0.611622050000000, 0.635634480000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.136998660000000, 0.388377950000000, 0.135634480000000 ] mass: 126.904470 reduced_to: 58 - symbol: I # 59 coordinates: [ 0.012094280000000, 0.129582260000000, 0.227205460000000 ] mass: 126.904470 reduced_to: 59 - symbol: I # 60 coordinates: [ 0.012094280000000, 0.870417740000000, 0.727205460000000 ] mass: 126.904470 reduced_to: 60 - symbol: Na # 61 coordinates: [ 0.286141360000000, 0.535621070000000, 0.282486420000000 ] mass: 22.989769 reduced_to: 61 - symbol: Na # 62 coordinates: [ 0.286141360000000, 0.464378930000000, 0.782486420000000 ] mass: 22.989769 reduced_to: 62 - symbol: Na # 63 coordinates: [ 0.221483770000000, 0.031190020000000, 0.283865620000000 ] mass: 22.989769 reduced_to: 63 - symbol: Na # 64 coordinates: [ 0.221483770000000, 0.968809980000000, 0.783865620000000 ] mass: 22.989769 reduced_to: 64 - symbol: Zr # 65 coordinates: [ 0.945287710000000, 0.099888980000000, 0.435083650000000 ] mass: 91.224000 reduced_to: 65 - symbol: Zr # 66 coordinates: [ 0.945287710000000, 0.900111020000000, 0.935083650000000 ] mass: 91.224000 reduced_to: 66 - symbol: Zr # 67 coordinates: [ 0.931147000000000, 0.792228740000000, 0.154547680000000 ] mass: 91.224000 reduced_to: 67 - symbol: Zr # 68 coordinates: [ 0.931147000000000, 0.207771260000000, 0.654547680000000 ] mass: 91.224000 reduced_to: 68 - symbol: Zr # 69 coordinates: [ 0.841993660000000, 0.319141680000000, 0.453722000000000 ] mass: 91.224000 reduced_to: 69 - symbol: Zr # 70 coordinates: [ 0.841993660000000, 0.680858320000000, 0.953722000000000 ] mass: 91.224000 reduced_to: 70 - symbol: Zr # 71 coordinates: [ 0.658733420000000, 0.813861530000000, 0.453552850000000 ] mass: 91.224000 reduced_to: 71 - symbol: Zr # 72 coordinates: [ 0.658733420000000, 0.186138470000000, 0.953552850000000 ] mass: 91.224000 reduced_to: 72 - symbol: Zr # 73 coordinates: [ 0.568951210000000, 0.296349550000000, 0.155246830000000 ] mass: 91.224000 reduced_to: 73 - symbol: Zr # 74 coordinates: [ 0.568951210000000, 0.703650450000000, 0.655246830000000 ] mass: 91.224000 reduced_to: 74 - symbol: Zr # 75 coordinates: [ 0.551753450000000, 0.596726180000000, 0.436291410000000 ] mass: 91.224000 reduced_to: 75 - symbol: Zr # 76 coordinates: [ 0.551753450000000, 0.403273820000000, 0.936291410000000 ] mass: 91.224000 reduced_to: 76 - symbol: Zr # 77 coordinates: [ 0.458767260000000, 0.098210300000000, 0.065555680000000 ] mass: 91.224000 reduced_to: 77 - symbol: Zr # 78 coordinates: [ 0.458767260000000, 0.901789700000000, 0.565555680000000 ] mass: 91.224000 reduced_to: 78 - symbol: Zr # 79 coordinates: [ 0.440513450000000, 0.795507590000000, 0.345402990000000 ] mass: 91.224000 reduced_to: 79 - symbol: Zr # 80 coordinates: [ 0.440513450000000, 0.204492410000000, 0.845402990000000 ] mass: 91.224000 reduced_to: 80 - symbol: Zr # 81 coordinates: [ 0.349234740000000, 0.313873140000000, 0.045642220000000 ] mass: 91.224000 reduced_to: 81 - symbol: Zr # 82 coordinates: [ 0.349234740000000, 0.686126860000000, 0.545642220000000 ] mass: 91.224000 reduced_to: 82 - symbol: Zr # 83 coordinates: [ 0.150240350000000, 0.187489160000000, 0.543452030000000 ] mass: 91.224000 reduced_to: 83 - symbol: Zr # 84 coordinates: [ 0.150240350000000, 0.812510840000000, 0.043452030000000 ] mass: 91.224000 reduced_to: 84 - symbol: Zr # 85 coordinates: [ 0.060937220000000, 0.697286420000000, 0.845160670000000 ] mass: 91.224000 reduced_to: 85 - symbol: Zr # 86 coordinates: [ 0.060937220000000, 0.302713580000000, 0.345160670000000 ] mass: 91.224000 reduced_to: 86 - symbol: Zr # 87 coordinates: [ 0.043474950000000, 0.595977840000000, 0.066114620000000 ] mass: 91.224000 reduced_to: 87 - symbol: Zr # 88 coordinates: [ 0.043474950000000, 0.404022160000000, 0.566114620000000 ] mass: 91.224000 reduced_to: 88supercell: lattice: - [ 13.142337820000000, 0.000000000000000, 0.004919150000000 ] # a - [ 0.000000000000000, 13.332238700000000, 0.000000000000000 ] # b - [ -0.002700480000000, 0.000000000000000, 13.143844570000001 ] # c points: - symbol: B # 1 coordinates: [ 0.995258610000000, 0.747613610000000, 0.998995880000000 ] mass: 10.811000 reduced_to: 1 - symbol: B # 2 coordinates: [ 0.995258610000000, 0.252386390000000, 0.498995880000000 ] mass: 10.811000 reduced_to: 2 - symbol: B # 3 coordinates: [ 0.504852260000000, 0.749390600000000, 0.500440640000000 ] mass: 10.811000 reduced_to: 3 - symbol: B # 4 coordinates: [ 0.504852260000000, 0.250609400000000, 0.000440640000000 ] mass: 10.811000 reduced_to: 4 - symbol: Cl # 5 coordinates: [ 0.981335950000000, 0.631994400000000, 0.243216680000000 ] mass: 35.453000 reduced_to: 5 - symbol: Cl # 6 coordinates: [ 0.981335950000000, 0.368005600000000, 0.743216680000000 ] mass: 35.453000 reduced_to: 6 - symbol: Cl # 7 coordinates: [ 0.899312900000000, 0.380019340000000, 0.281898480000000 ] mass: 35.453000 reduced_to: 7 - symbol: Cl # 8 coordinates: [ 0.899312900000000, 0.619980660000000, 0.781898480000000 ] mass: 35.453000 reduced_to: 8 - symbol: Cl # 9 coordinates: [ 0.881048920000000, 0.507718250000000, 0.023271710000000 ] mass: 35.453000 reduced_to: 9 - symbol: Cl # 10 coordinates: [ 0.881048920000000, 0.492281750000000, 0.523271710000000 ] mass: 35.453000 reduced_to: 10 - symbol: Cl # 11 coordinates: [ 0.868441500000000, 0.960137130000000, 0.097587060000000 ] mass: 35.453000 reduced_to: 11 - symbol: Cl # 12 coordinates: [ 0.868441500000000, 0.039862870000000, 0.597587060000000 ] mass: 35.453000 reduced_to: 12 - symbol: Cl # 13 coordinates: [ 0.774054180000000, 0.158128690000000, 0.378691070000000 ] mass: 35.453000 reduced_to: 13 - symbol: Cl # 14 coordinates: [ 0.774054180000000, 0.841871310000000, 0.878691070000000 ] mass: 35.453000 reduced_to: 14 - symbol: Cl # 15 coordinates: [ 0.756866150000000, 0.722612070000000, 0.120537200000000 ] mass: 35.453000 reduced_to: 15 - symbol: Cl # 16 coordinates: [ 0.756866150000000, 0.277387930000000, 0.620537200000000 ] mass: 35.453000 reduced_to: 16 - symbol: Cl # 17 coordinates: [ 0.744230630000000, 0.229903340000000, 0.119773140000000 ] mass: 35.453000 reduced_to: 17 - symbol: Cl # 18 coordinates: [ 0.744230630000000, 0.770096660000000, 0.619773140000000 ] mass: 35.453000 reduced_to: 18 - symbol: Cl # 19 coordinates: [ 0.723038750000000, 0.652170210000000, 0.377378080000000 ] mass: 35.453000 reduced_to: 19 - symbol: Cl # 20 coordinates: [ 0.723038750000000, 0.347829790000000, 0.877378080000000 ] mass: 35.453000 reduced_to: 20 - symbol: Cl # 21 coordinates: [ 0.623154120000000, 0.468174380000000, 0.100193420000000 ] mass: 35.453000 reduced_to: 21 - symbol: Cl # 22 coordinates: [ 0.623154120000000, 0.531825620000000, 0.600193420000000 ] mass: 35.453000 reduced_to: 22 - symbol: Cl # 23 coordinates: [ 0.621418380000000, 0.011830440000000, 0.020624060000000 ] mass: 35.453000 reduced_to: 23 - symbol: Cl # 24 coordinates: [ 0.621418380000000, 0.988169560000000, 0.520624060000000 ] mass: 35.453000 reduced_to: 24 - symbol: Cl # 25 coordinates: [ 0.601503930000000, 0.870303910000000, 0.279680790000000 ] mass: 35.453000 reduced_to: 25 - symbol: Cl # 26 coordinates: [ 0.601503930000000, 0.129696090000000, 0.779680790000000 ] mass: 35.453000 reduced_to: 26 - symbol: Cl # 27 coordinates: [ 0.521023330000000, 0.133877390000000, 0.242639760000000 ] mass: 35.453000 reduced_to: 27 - symbol: Cl # 28 coordinates: [ 0.521023330000000, 0.866122610000000, 0.742639760000000 ] mass: 35.453000 reduced_to: 28 - symbol: Cl # 29 coordinates: [ 0.480295510000000, 0.630261980000000, 0.257752730000000 ] mass: 35.453000 reduced_to: 29 - symbol: Cl # 30 coordinates: [ 0.480295510000000, 0.369738020000000, 0.757752730000000 ] mass: 35.453000 reduced_to: 30 - symbol: Cl # 31 coordinates: [ 0.402186420000000, 0.369793580000000, 0.220819210000000 ] mass: 35.453000 reduced_to: 31 - symbol: Cl # 32 coordinates: [ 0.402186420000000, 0.630206420000000, 0.720819210000000 ] mass: 35.453000 reduced_to: 32 - symbol: Cl # 33 coordinates: [ 0.382423270000000, 0.489501370000000, 0.977757270000000 ] mass: 35.453000 reduced_to: 33 - symbol: Cl # 34 coordinates: [ 0.382423270000000, 0.510498630000000, 0.477757270000000 ] mass: 35.453000 reduced_to: 34 - symbol: Cl # 35 coordinates: [ 0.381798710000000, 0.967766050000000, 0.401456440000000 ] mass: 35.453000 reduced_to: 35 - symbol: Cl # 36 coordinates: [ 0.381798710000000, 0.032233950000000, 0.901456440000000 ] mass: 35.453000 reduced_to: 36 - symbol: Cl # 37 coordinates: [ 0.280569760000000, 0.151753650000000, 0.117601140000000 ] mass: 35.453000 reduced_to: 37 - symbol: Cl # 38 coordinates: [ 0.280569760000000, 0.848246350000000, 0.617601140000000 ] mass: 35.453000 reduced_to: 38 - symbol: Cl # 39 coordinates: [ 0.260706420000000, 0.728429950000000, 0.379127320000000 ] mass: 35.453000 reduced_to: 39 - symbol: Cl # 40 coordinates: [ 0.260706420000000, 0.271570050000000, 0.879127320000000 ] mass: 35.453000 reduced_to: 40 - symbol: Cl # 41 coordinates: [ 0.239419320000000, 0.230507380000000, 0.377927520000000 ] mass: 35.453000 reduced_to: 41 - symbol: Cl # 42 coordinates: [ 0.239419320000000, 0.769492620000000, 0.877927520000000 ] mass: 35.453000 reduced_to: 42 - symbol: Cl # 43 coordinates: [ 0.221484930000000, 0.652204170000000, 0.117435160000000 ] mass: 35.453000 reduced_to: 43 - symbol: Cl # 44 coordinates: [ 0.221484930000000, 0.347795830000000, 0.617435160000000 ] mass: 35.453000 reduced_to: 44 - symbol: Cl # 45 coordinates: [ 0.121674040000000, 0.527577600000000, 0.903458100000000 ] mass: 35.453000 reduced_to: 45 - symbol: Cl # 46 coordinates: [ 0.121674040000000, 0.472422400000000, 0.403458100000000 ] mass: 35.453000 reduced_to: 46 - symbol: Cl # 47 coordinates: [ 0.114299760000000, 0.987970460000000, 0.976448100000000 ] mass: 35.453000 reduced_to: 47 - symbol: Cl # 48 coordinates: [ 0.114299760000000, 0.012029540000000, 0.476448100000000 ] mass: 35.453000 reduced_to: 48 - symbol: Cl # 49 coordinates: [ 0.097557190000000, 0.867454560000000, 0.218977860000000 ] mass: 35.453000 reduced_to: 49 - symbol: Cl # 50 coordinates: [ 0.097557190000000, 0.132545440000000, 0.718977860000000 ] mass: 35.453000 reduced_to: 50 - symbol: I # 51 coordinates: [ 0.869564000000000, 0.883923460000000, 0.370936660000000 ] mass: 126.904470 reduced_to: 51 - symbol: I # 52 coordinates: [ 0.869564000000000, 0.116076540000000, 0.870936660000000 ] mass: 126.904470 reduced_to: 52 - symbol: I # 53 coordinates: [ 0.629204260000000, 0.384336300000000, 0.370560870000000 ] mass: 126.904470 reduced_to: 53 - symbol: I # 54 coordinates: [ 0.629204260000000, 0.615663700000000, 0.870560870000000 ] mass: 126.904470 reduced_to: 54 - symbol: I # 55 coordinates: [ 0.365624290000000, 0.114541110000000, 0.633349020000000 ] mass: 126.904470 reduced_to: 55 - symbol: I # 56 coordinates: [ 0.365624290000000, 0.885458890000000, 0.133349020000000 ] mass: 126.904470 reduced_to: 56 - symbol: I # 57 coordinates: [ 0.136998660000000, 0.611622050000000, 0.635634480000000 ] mass: 126.904470 reduced_to: 57 - symbol: I # 58 coordinates: [ 0.136998660000000, 0.388377950000000, 0.135634480000000 ] mass: 126.904470 reduced_to: 58 - symbol: I # 59 coordinates: [ 0.012094280000000, 0.129582260000000, 0.227205460000000 ] mass: 126.904470 reduced_to: 59 - symbol: I # 60 coordinates: [ 0.012094280000000, 0.870417740000000, 0.727205460000000 ] mass: 126.904470 reduced_to: 60 - symbol: Na # 61 coordinates: [ 0.286141360000000, 0.535621070000000, 0.282486420000000 ] mass: 22.989769 reduced_to: 61 - symbol: Na # 62 coordinates: [ 0.286141360000000, 0.464378930000000, 0.782486420000000 ] mass: 22.989769 reduced_to: 62 - symbol: Na # 63 coordinates: [ 0.221483770000000, 0.031190020000000, 0.283865620000000 ] mass: 22.989769 reduced_to: 63 - symbol: Na # 64 coordinates: [ 0.221483770000000, 0.968809980000000, 0.783865620000000 ] mass: 22.989769 reduced_to: 64 - symbol: Zr # 65 coordinates: [ 0.945287710000000, 0.099888980000000, 0.435083650000000 ] mass: 91.224000 reduced_to: 65 - symbol: Zr # 66 coordinates: [ 0.945287710000000, 0.900111020000000, 0.935083650000000 ] mass: 91.224000 reduced_to: 66 - symbol: Zr # 67 coordinates: [ 0.931147000000000, 0.792228740000000, 0.154547680000000 ] mass: 91.224000 reduced_to: 67 - symbol: Zr # 68 coordinates: [ 0.931147000000000, 0.207771260000000, 0.654547680000000 ] mass: 91.224000 reduced_to: 68 - symbol: Zr # 69 coordinates: [ 0.841993660000000, 0.319141680000000, 0.453722000000000 ] mass: 91.224000 reduced_to: 69 - symbol: Zr # 70 coordinates: [ 0.841993660000000, 0.680858320000000, 0.953722000000000 ] mass: 91.224000 reduced_to: 70 - symbol: Zr # 71 coordinates: [ 0.658733420000000, 0.813861530000000, 0.453552850000000 ] mass: 91.224000 reduced_to: 71 - symbol: Zr # 72 coordinates: [ 0.658733420000000, 0.186138470000000, 0.953552850000000 ] mass: 91.224000 reduced_to: 72 - symbol: Zr # 73 coordinates: [ 0.568951210000000, 0.296349550000000, 0.155246830000000 ] mass: 91.224000 reduced_to: 73 - symbol: Zr # 74 coordinates: [ 0.568951210000000, 0.703650450000000, 0.655246830000000 ] mass: 91.224000 reduced_to: 74 - symbol: Zr # 75 coordinates: [ 0.551753450000000, 0.596726180000000, 0.436291410000000 ] mass: 91.224000 reduced_to: 75 - symbol: Zr # 76 coordinates: [ 0.551753450000000, 0.403273820000000, 0.936291410000000 ] mass: 91.224000 reduced_to: 76 - symbol: Zr # 77 coordinates: [ 0.458767260000000, 0.098210300000000, 0.065555680000000 ] mass: 91.224000 reduced_to: 77 - symbol: Zr # 78 coordinates: [ 0.458767260000000, 0.901789700000000, 0.565555680000000 ] mass: 91.224000 reduced_to: 78 - symbol: Zr # 79 coordinates: [ 0.440513450000000, 0.795507590000000, 0.345402990000000 ] mass: 91.224000 reduced_to: 79 - symbol: Zr # 80 coordinates: [ 0.440513450000000, 0.204492410000000, 0.845402990000000 ] mass: 91.224000 reduced_to: 80 - symbol: Zr # 81 coordinates: [ 0.349234740000000, 0.313873140000000, 0.045642220000000 ] mass: 91.224000 reduced_to: 81 - symbol: Zr # 82 coordinates: [ 0.349234740000000, 0.686126860000000, 0.545642220000000 ] mass: 91.224000 reduced_to: 82 - symbol: Zr # 83 coordinates: [ 0.150240350000000, 0.187489160000000, 0.543452030000000 ] mass: 91.224000 reduced_to: 83 - symbol: Zr # 84 coordinates: [ 0.150240350000000, 0.812510840000000, 0.043452030000000 ] mass: 91.224000 reduced_to: 84 - symbol: Zr # 85 coordinates: [ 0.060937220000000, 0.697286420000000, 0.845160670000000 ] mass: 91.224000 reduced_to: 85 - symbol: Zr # 86 coordinates: [ 0.060937220000000, 0.302713580000000, 0.345160670000000 ] mass: 91.224000 reduced_to: 86 - symbol: Zr # 87 coordinates: [ 0.043474950000000, 0.595977840000000, 0.066114620000000 ] mass: 91.224000 reduced_to: 87 - symbol: Zr # 88 coordinates: [ 0.043474950000000, 0.404022160000000, 0.566114620000000 ] mass: 91.224000 reduced_to: 88displacements:- atom: 1 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ -0.1682304300000000, -0.0012749400000000, -0.0001481400000000 ] - [ 0.0000669800000000, 0.0000132000000000, -0.0000709000000000 ] - [ -0.0000926200000000, 0.0000841200000000, 0.0000260600000000 ] - [ -0.0000872900000000, -0.0000974000000000, 0.0000384900000000 ] - [ -0.0006042500000000, -0.0006238200000000, -0.0001624700000000 ] - [ 0.0000602500000000, 0.0001656700000000, 0.0000131300000000 ] - [ -0.0000892800000000, -0.0000834400000000, -0.0000108100000000 ] - [ -0.0004967500000000, 0.0003761700000000, 0.0005290800000000 ] - [ 0.0002540600000000, 0.0001579000000000, 0.0002737400000000 ] - [ 0.0000846400000000, 0.0002635900000000, -0.0000662400000000 ] - [ -0.0004292000000000, -0.0010136200000000, -0.0002337600000000 ] - [ 0.0000547800000000, 0.0000988000000000, 0.0001030900000000 ] - [ -0.0000360300000000, -0.0000698300000000, 0.0001573100000000 ] - [ 0.0003680500000000, -0.0004931800000000, 0.0008928800000000 ] - [ 0.0007513400000000, 0.0001068700000000, -0.0004507100000000 ] - [ 0.0000502900000000, 0.0001773000000000, 0.0000805300000000 ] - [ -0.0000500100000000, -0.0001912800000000, 0.0000705000000000 ] - [ -0.0001015200000000, 0.0001931600000000, 0.0000505700000000 ] - [ -0.0000011400000000, 0.0000082100000000, 0.0002658100000000 ] - [ 0.0000147500000000, -0.0000052700000000, 0.0002746100000000 ] - [ -0.0001200300000000, -0.0000460800000000, 0.0000402000000000 ] - [ -0.0001162100000000, -0.0000028300000000, 0.0000551300000000 ] - [ -0.0002434700000000, -0.0001620100000000, 0.0000193900000000 ] - [ -0.0002349800000000, 0.0001987300000000, 0.0000336700000000 ] - [ -0.0000190100000000, -0.0001305000000000, -0.0000577700000000 ] - [ -0.0000640000000000, 0.0000924100000000, -0.0001297500000000 ] - [ -0.0000939000000000, -0.0001016100000000, 0.0000293000000000 ] - [ -0.0001184400000000, 0.0001245500000000, 0.0000066900000000 ] - [ 0.0000040100000000, 0.0000366000000000, -0.0002154800000000 ] - [ 0.0000449200000000, -0.0000272900000000, -0.0001656500000000 ] - [ -0.0000964700000000, -0.0000517200000000, 0.0000331200000000 ] - [ -0.0000296200000000, 0.0000349500000000, 0.0001173500000000 ] - [ -0.0000493400000000, 0.0001731600000000, -0.0000747200000000 ] - [ -0.0000316100000000, -0.0001110200000000, -0.0000535700000000 ] - [ 0.0000063500000000, 0.0001445800000000, 0.0000490400000000 ] - [ -0.0000164400000000, -0.0002287800000000, 0.0000209900000000 ] - [ -0.0000661600000000, -0.0000557400000000, -0.0000872400000000 ] - [ -0.0000871700000000, 0.0000225300000000, -0.0000771000000000 ] - [ -0.0001558000000000, -0.0000508300000000, -0.0000757400000000 ] - [ -0.0001173200000000, 0.0000565600000000, -0.0000378800000000 ] - [ -0.0000295300000000, -0.0000439900000000, -0.0000038300000000 ] - [ 0.0007336000000000, 0.0002852000000000, -0.0004997900000000 ] - [ 0.0008735000000000, -0.0003002700000000, 0.0005699600000000 ] - [ 0.0002723200000000, 0.0000659200000000, 0.0000218100000000 ] - [ -0.0005202200000000, -0.0007602800000000, -0.0004039500000000 ] - [ 0.0000332100000000, -0.0000718500000000, -0.0001246100000000 ] - [ 0.0002971700000000, 0.0005739300000000, 0.0002513100000000 ] - [ 0.0000587800000000, -0.0002423700000000, -0.0000824500000000 ] - [ -0.0002415000000000, 0.0001882300000000, 0.0005142300000000 ] - [ 0.0001525100000000, 0.0000896600000000, -0.0000299100000000 ] - [ -0.0000612300000000, -0.0005091700000000, -0.0005664500000000 ] - [ 0.0000638600000000, -0.0006974600000000, 0.0004261500000000 ] - [ -0.0001371700000000, -0.0000319300000000, 0.0001180500000000 ] - [ 0.0019501000000000, 0.0006097000000000, 0.0012663700000000 ] - [ -0.0000610200000000, -0.0000568400000000, 0.0000098200000000 ] - [ 0.0018250300000000, 0.0007505400000000, 0.0010699900000000 ] - [ 0.0000743400000000, -0.0005977900000000, -0.0009461800000000 ] - [ 0.0002929000000000, -0.0008636200000000, 0.0004023600000000 ] - [ -0.0000802400000000, 0.0001350100000000, 0.0001209500000000 ] - [ -0.0007819100000000, -0.0002853100000000, -0.0000525000000000 ] - [ 0.0001540200000000, -0.0003014400000000, 0.0000906900000000 ] - [ 0.0001792200000000, 0.0000716800000000, -0.0001751400000000 ] - [ 0.0000268900000000, 0.0000224300000000, 0.0000205400000000 ] - [ 0.0000121200000000, 0.0003271800000000, -0.0003102900000000 ] - [ -0.0002409700000000, 0.0001374000000000, -0.0002453100000000 ] - [ 0.0067366700000000, -0.0190667000000000, 0.0074830000000000 ] - [ 0.0119423700000000, -0.0067694500000000, -0.0266715100000000 ] - [ -0.0001287200000000, -0.0001325500000000, -0.0000011300000000 ] - [ 0.0000269000000000, 0.0000833000000000, -0.0000369100000000 ] - [ 0.0641200700000000, 0.0287144000000000, 0.0172021300000000 ] - [ 0.0001079000000000, 0.0000369900000000, -0.0000519600000000 ] - [ 0.0000946900000000, -0.0000553900000000, -0.0000740000000000 ] - [ 0.0001423600000000, 0.0000243800000000, -0.0000125700000000 ] - [ 0.0003076300000000, 0.0000846100000000, 0.0000568500000000 ] - [ 0.0002179700000000, 0.0000192000000000, -0.0000862600000000 ] - [ 0.0003553800000000, 0.0000311900000000, -0.0000662800000000 ] - [ 0.0000831300000000, -0.0000871600000000, 0.0001192800000000 ] - [ -0.0000471600000000, 0.0001271200000000, 0.0000469900000000 ] - [ 0.0001706900000000, 0.0001883100000000, 0.0000411900000000 ] - [ 0.0000526300000000, -0.0000311100000000, 0.0000214900000000 ] - [ 0.0000978400000000, -0.0001366600000000, -0.0000610700000000 ] - [ 0.0001475100000000, 0.0000612300000000, -0.0001025900000000 ] - [ -0.0000963600000000, 0.0000543500000000, 0.0000243100000000 ] - [ 0.0642449900000000, 0.0282053800000000, 0.0174197900000000 ] - [ 0.0114947500000000, -0.0082629800000000, -0.0263175900000000 ] - [ 0.0000009200000000, 0.0000379200000000, 0.0000422200000000 ] - [ 0.0052292500000000, -0.0193817000000000, 0.0085120300000000 ] - [ -0.0000291500000000, 0.0000529100000000, 0.0000080300000000 ]- atom: 1 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.1684389800000000, 0.0013052800000000, 0.0000500700000000 ] - [ 0.0000729500000000, 0.0000064300000000, -0.0000652100000000 ] - [ -0.0001651800000000, 0.0000882400000000, 0.0000437700000000 ] - [ -0.0001706400000000, -0.0000748100000000, 0.0000311600000000 ] - [ 0.0007282200000000, 0.0002831800000000, 0.0001358300000000 ] - [ 0.0000612500000000, 0.0001725000000000, -0.0000379000000000 ] - [ -0.0000890100000000, -0.0000834600000000, 0.0000221400000000 ] - [ 0.0003603300000000, -0.0001984800000000, -0.0005231600000000 ] - [ -0.0000699900000000, -0.0007400300000000, -0.0003765200000000 ] - [ 0.0000540800000000, 0.0003140100000000, -0.0000541100000000 ] - [ 0.0004786800000000, 0.0007604800000000, 0.0004881600000000 ] - [ -0.0000059000000000, 0.0001698400000000, 0.0001463100000000 ] - [ -0.0000734100000000, -0.0001021700000000, 0.0001447700000000 ] - [ -0.0004784400000000, 0.0007109700000000, -0.0006119600000000 ] - [ -0.0006956700000000, -0.0004558200000000, 0.0006757100000000 ] - [ 0.0000220100000000, 0.0001818700000000, 0.0000909400000000 ] - [ 0.0000268200000000, -0.0002148200000000, 0.0000676300000000 ] - [ 0.0000786500000000, 0.0002132400000000, 0.0000873400000000 ] - [ 0.0001348800000000, -0.0000139800000000, 0.0002192000000000 ] - [ 0.0001203100000000, 0.0000099900000000, 0.0002093100000000 ] - [ -0.0000500100000000, 0.0000725000000000, 0.0001063600000000 ] - [ -0.0000537600000000, -0.0000244700000000, 0.0000909400000000 ] - [ -0.0001532500000000, -0.0002427400000000, 0.0000171600000000 ] - [ -0.0001614500000000, 0.0002086600000000, 0.0000035700000000 ] - [ -0.0000100300000000, -0.0000291100000000, -0.0002104000000000 ] - [ 0.0000343300000000, 0.0000664300000000, -0.0001409900000000 ] - [ -0.0000717300000000, -0.0001272500000000, 0.0000356900000000 ] - [ -0.0000478100000000, 0.0001050200000000, 0.0000565600000000 ] - [ 0.0001246000000000, 0.0000525900000000, -0.0000963700000000 ] - [ 0.0000838000000000, -0.0000630400000000, -0.0001475300000000 ] - [ 0.0000330300000000, -0.0001179000000000, 0.0000046900000000 ] - [ -0.0000358300000000, 0.0001342400000000, -0.0000817200000000 ] - [ 0.0000394300000000, 0.0000419400000000, -0.0000476700000000 ] - [ 0.0000214600000000, -0.0001056400000000, -0.0000689600000000 ] - [ 0.0000871700000000, 0.0001236800000000, 0.0000793200000000 ] - [ 0.0001101600000000, -0.0000390700000000, 0.0001063500000000 ] - [ -0.0000065600000000, 0.0000484300000000, -0.0001360000000000 ] - [ 0.0000155800000000, -0.0000142600000000, -0.0001467600000000 ] - [ 0.0000169400000000, -0.0000111400000000, 0.0000103200000000 ] - [ -0.0000207800000000, 0.0000048400000000, -0.0000295300000000 ] - [ -0.0000470300000000, -0.0000314100000000, -0.0000293900000000 ] - [ -0.0007962700000000, -0.0002164500000000, 0.0004303100000000 ] - [ -0.0003654500000000, 0.0001964300000000, -0.0005481700000000 ] - [ 0.0002332500000000, 0.0000054800000000, -0.0000167700000000 ] - [ 0.0005289700000000, 0.0008449700000000, 0.0002437100000000 ] - [ -0.0000272200000000, -0.0000238300000000, -0.0000307700000000 ] - [ -0.0002385000000000, -0.0001537800000000, -0.0003905300000000 ] - [ 0.0000302700000000, -0.0001758800000000, -0.0000467000000000 ] - [ 0.0004943900000000, -0.0004000300000000, -0.0005823700000000 ] - [ 0.0001328100000000, 0.0001140100000000, -0.0000444900000000 ] - [ 0.0003785400000000, 0.0004811100000000, 0.0007156000000000 ] - [ 0.0002576800000000, 0.0007012200000000, -0.0002593300000000 ] - [ -0.0001368300000000, -0.0000372800000000, 0.0001058700000000 ] - [ -0.0022516700000000, -0.0005441000000000, -0.0010564000000000 ] - [ -0.0000530400000000, -0.0000473000000000, 0.0000014400000000 ] - [ -0.0019103600000000, -0.0006388500000000, -0.0010417400000000 ] - [ 0.0000629800000000, 0.0005401600000000, 0.0009444000000000 ] - [ -0.0001620000000000, 0.0009503100000000, -0.0004270100000000 ] - [ -0.0000239400000000, 0.0001704100000000, 0.0001125800000000 ] - [ 0.0006765700000000, -0.0000145200000000, 0.0002798000000000 ] - [ 0.0000161400000000, -0.0000078700000000, -0.0003053200000000 ] - [ -0.0000095400000000, 0.0002396300000000, -0.0000367300000000 ] - [ -0.0000625700000000, -0.0002212100000000, -0.0001660700000000 ] - [ -0.0000489600000000, -0.0001276900000000, 0.0001644700000000 ] - [ -0.0000949700000000, 0.0000793700000000, -0.0001361800000000 ] - [ -0.0071411700000000, 0.0189424300000000, -0.0079138300000000 ] - [ -0.0122499700000000, 0.0069980800000000, 0.0268737100000000 ] - [ -0.0000614100000000, -0.0000254300000000, -0.0000316000000000 ] - [ 0.0000431700000000, 0.0000593300000000, -0.0000871100000000 ] - [ -0.0660025000000000, -0.0297244900000000, -0.0178893100000000 ] - [ -0.0000812700000000, -0.0000025400000000, -0.0000158500000000 ] - [ -0.0000697200000000, 0.0000168700000000, 0.0000083000000000 ] - [ 0.0000539300000000, -0.0000536900000000, 0.0000442600000000 ] - [ -0.0001099500000000, -0.0000567600000000, -0.0000186400000000 ] - [ 0.0001003500000000, 0.0000437200000000, -0.0001087600000000 ] - [ -0.0000373900000000, -0.0000851900000000, -0.0001304100000000 ] - [ -0.0002747200000000, -0.0001760400000000, -0.0000136900000000 ] - [ -0.0001467900000000, 0.0001286000000000, 0.0000562300000000 ] - [ -0.0001582400000000, -0.0000247100000000, 0.0000158000000000 ] - [ -0.0000393400000000, -0.0001295300000000, 0.0000418000000000 ] - [ 0.0000637500000000, 0.0000401600000000, -0.0000438100000000 ] - [ 0.0000163200000000, 0.0000365800000000, -0.0000002000000000 ] - [ -0.0001056700000000, 0.0000108600000000, 0.0000264200000000 ] - [ -0.0624869900000000, -0.0274053000000000, -0.0167989900000000 ] - [ -0.0114785700000000, 0.0079683900000000, 0.0261059200000000 ] - [ -0.0000599400000000, 0.0001560900000000, 0.0000381000000000 ] - [ -0.0052002900000000, 0.0192030400000000, -0.0083219900000000 ] - [ 0.0000589500000000, -0.0000195700000000, 0.0001349000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011705100000000, -0.1652912000000000, -0.0015950700000000 ] - [ 0.0000670400000000, 0.0000508600000000, -0.0000576200000000 ] - [ -0.0001303500000000, 0.0000789400000000, 0.0000268100000000 ] - [ -0.0001199900000000, -0.0000446900000000, 0.0000365300000000 ] - [ -0.0004050500000000, 0.0001411800000000, -0.0002924300000000 ] - [ 0.0000579500000000, 0.0001218100000000, -0.0000770500000000 ] - [ -0.0000448100000000, -0.0001364700000000, 0.0000690200000000 ] - [ 0.0000775200000000, -0.0003439300000000, 0.0007415900000000 ] - [ 0.0004038800000000, 0.0004252700000000, -0.0003440500000000 ] - [ 0.0000737600000000, 0.0002415200000000, -0.0000729700000000 ] - [ -0.0007597000000000, 0.0004263900000000, 0.0006087500000000 ] - [ -0.0000027400000000, 0.0001212000000000, 0.0001477900000000 ] - [ -0.0000573800000000, -0.0001316800000000, 0.0001383400000000 ] - [ -0.0005901900000000, -0.0002533300000000, -0.0000613600000000 ] - [ 0.0003146100000000, -0.0007600300000000, 0.0003684600000000 ] - [ 0.0000424800000000, 0.0001656600000000, 0.0000801000000000 ] - [ 0.0000119500000000, -0.0002344700000000, 0.0000520200000000 ] - [ -0.0000328500000000, 0.0001953800000000, 0.0000743000000000 ] - [ 0.0000743500000000, -0.0000005300000000, 0.0002455500000000 ] - [ -0.0000154800000000, -0.0000035600000000, 0.0002877400000000 ] - [ -0.0001096700000000, -0.0000539000000000, 0.0000517800000000 ] - [ -0.0000960200000000, 0.0000099100000000, 0.0000458200000000 ] - [ -0.0001773200000000, -0.0002917100000000, 0.0000281900000000 ] - [ -0.0002088000000000, 0.0002074300000000, 0.0000221800000000 ] - [ 0.0000106600000000, -0.0000669800000000, -0.0001032500000000 ] - [ 0.0000097900000000, 0.0000488000000000, -0.0001436300000000 ] - [ -0.0000970000000000, -0.0001455600000000, 0.0000328800000000 ] - [ -0.0000780200000000, 0.0001281800000000, 0.0000654200000000 ] - [ 0.0000878900000000, 0.0000654200000000, -0.0001208300000000 ] - [ 0.0000585900000000, -0.0000813800000000, -0.0001511200000000 ] - [ -0.0000134900000000, -0.0001290500000000, 0.0000063300000000 ] - [ 0.0000150000000000, 0.0001154400000000, 0.0000469800000000 ] - [ 0.0000390200000000, 0.0000179600000000, -0.0000365900000000 ] - [ -0.0000031400000000, -0.0000918100000000, -0.0000521500000000 ] - [ 0.0000253600000000, 0.0001553700000000, 0.0000342300000000 ] - [ 0.0000040600000000, -0.0002001900000000, 0.0000447600000000 ] - [ -0.0001045500000000, -0.0000151800000000, -0.0000692800000000 ] - [ -0.0000500200000000, 0.0000193900000000, -0.0000988000000000 ] - [ -0.0000890100000000, -0.0000121300000000, -0.0000167100000000 ] - [ -0.0000169500000000, -0.0000327400000000, -0.0000249100000000 ] - [ -0.0000345800000000, -0.0000573800000000, -0.0000410400000000 ] - [ 0.0002048800000000, -0.0004987100000000, 0.0003321200000000 ] - [ -0.0002605000000000, -0.0003305300000000, -0.0003008500000000 ] - [ 0.0002432800000000, -0.0000231500000000, -0.0000269000000000 ] - [ -0.0006820700000000, 0.0005424700000000, 0.0001069400000000 ] - [ -0.0000301900000000, -0.0000919900000000, -0.0000468600000000 ] - [ 0.0007560300000000, 0.0010225800000000, -0.0001977100000000 ] - [ 0.0000493200000000, -0.0002612600000000, -0.0000887100000000 ] - [ 0.0004610600000000, -0.0006289800000000, 0.0005797100000000 ] - [ 0.0001698800000000, 0.0000618100000000, 0.0000446100000000 ] - [ -0.0001812500000000, 0.0001036000000000, 0.0009717300000000 ] - [ -0.0006180300000000, 0.0019787200000000, -0.0005961300000000 ] - [ -0.0001440500000000, -0.0000329000000000, 0.0001098800000000 ] - [ 0.0007707800000000, -0.0001846600000000, 0.0007081000000000 ] - [ -0.0000618100000000, -0.0000584500000000, 0.0000080000000000 ] - [ 0.0007804800000000, -0.0000584800000000, 0.0005786900000000 ] - [ -0.0003592800000000, 0.0000082500000000, 0.0007627100000000 ] - [ -0.0010938200000000, 0.0018890200000000, -0.0005831500000000 ] - [ -0.0000171600000000, 0.0002076700000000, 0.0001340000000000 ] - [ -0.0001683800000000, -0.0002501100000000, -0.0005454200000000 ] - [ -0.0000149700000000, -0.0001309100000000, -0.0002097400000000 ] - [ -0.0000948900000000, 0.0002138800000000, 0.0000272800000000 ] - [ 0.0000451900000000, -0.0000060000000000, -0.0000051000000000 ] - [ 0.0001851400000000, 0.0001394400000000, -0.0002855400000000 ] - [ -0.0001651600000000, 0.0001240800000000, -0.0001416200000000 ] - [ -0.0202417600000000, 0.0620235000000000, -0.0261019700000000 ] - [ -0.0081570800000000, 0.0055322600000000, 0.0185615000000000 ] - [ -0.0001280100000000, 0.0001404900000000, -0.0000733500000000 ] - [ 0.0000602700000000, 0.0001179600000000, -0.0001073700000000 ] - [ 0.0292204200000000, 0.0135960300000000, 0.0075830800000000 ] - [ 0.0000334700000000, 0.0000317200000000, 0.0000126100000000 ] - [ -0.0000525300000000, 0.0001754100000000, -0.0000682600000000 ] - [ 0.0001119200000000, 0.0000383500000000, 0.0000188900000000 ] - [ 0.0001676900000000, -0.0000629900000000, -0.0000187800000000 ] - [ 0.0001386000000000, 0.0000212000000000, -0.0001112700000000 ] - [ 0.0001905100000000, 0.0000636200000000, -0.0001183200000000 ] - [ -0.0000659600000000, -0.0000428700000000, 0.0000471700000000 ] - [ -0.0000989400000000, 0.0001315800000000, 0.0000252400000000 ] - [ 0.0000666100000000, 0.0000297800000000, -0.0000172300000000 ] - [ -0.0000039600000000, -0.0000160300000000, 0.0000407400000000 ] - [ 0.0000563000000000, 0.0001181200000000, -0.0001571400000000 ] - [ 0.0000923500000000, 0.0000372000000000, 0.0000004000000000 ] - [ -0.0000856900000000, 0.0000833400000000, -0.0000154000000000 ] - [ 0.0274676000000000, 0.0124557700000000, 0.0074314100000000 ] - [ -0.0082212000000000, 0.0064049200000000, 0.0190454600000000 ] - [ -0.0000710400000000, 0.0002712300000000, -0.0000043900000000 ] - [ -0.0172489300000000, 0.0606860200000000, -0.0273409400000000 ] - [ 0.0000286100000000, 0.0000697800000000, 0.0001351800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013660400000000, 0.1652670500000000, 0.0014750100000000 ] - [ 0.0000733000000000, -0.0000304800000000, -0.0000781600000000 ] - [ -0.0001280900000000, 0.0000929400000000, 0.0000432100000000 ] - [ -0.0001385600000000, -0.0001269800000000, 0.0000337400000000 ] - [ 0.0005127100000000, -0.0004373000000000, 0.0002708800000000 ] - [ 0.0000637800000000, 0.0002163500000000, 0.0000498600000000 ] - [ -0.0001333600000000, -0.0000316200000000, -0.0000559000000000 ] - [ -0.0002607400000000, 0.0005133200000000, -0.0007418900000000 ] - [ -0.0003107500000000, -0.0010145500000000, 0.0002143400000000 ] - [ 0.0000645400000000, 0.0003349400000000, -0.0000479400000000 ] - [ 0.0007904000000000, -0.0007000200000000, -0.0003169500000000 ] - [ 0.0000524300000000, 0.0001494600000000, 0.0000984200000000 ] - [ -0.0000507500000000, -0.0000399700000000, 0.0001655500000000 ] - [ 0.0004858700000000, 0.0003835900000000, 0.0003750700000000 ] - [ -0.0002360300000000, 0.0004042400000000, -0.0001966800000000 ] - [ 0.0000302900000000, 0.0001930500000000, 0.0000905500000000 ] - [ -0.0000389300000000, -0.0001713800000000, 0.0000850900000000 ] - [ 0.0000074700000000, 0.0002106600000000, 0.0000631000000000 ] - [ 0.0000581800000000, -0.0000042700000000, 0.0002401800000000 ] - [ 0.0001449900000000, 0.0000097400000000, 0.0001987900000000 ] - [ -0.0000605800000000, 0.0000798300000000, 0.0000937600000000 ] - [ -0.0000746100000000, -0.0000341400000000, 0.0000994400000000 ] - [ -0.0002207800000000, -0.0001136600000000, 0.0000090600000000 ] - [ -0.0001885100000000, 0.0001967200000000, 0.0000147700000000 ] - [ -0.0000412700000000, -0.0000925600000000, -0.0001662700000000 ] - [ -0.0000406000000000, 0.0001107600000000, -0.0001249700000000 ] - [ -0.0000682100000000, -0.0000837300000000, 0.0000313300000000 ] - [ -0.0000866800000000, 0.0001004700000000, -0.0000005600000000 ] - [ 0.0000403400000000, 0.0000241100000000, -0.0001918200000000 ] - [ 0.0000708400000000, -0.0000079800000000, -0.0001608900000000 ] - [ -0.0000479700000000, -0.0000410700000000, 0.0000309700000000 ] - [ -0.0000771300000000, 0.0000548200000000, -0.0000092100000000 ] - [ -0.0000472700000000, 0.0002001000000000, -0.0000871400000000 ] - [ -0.0000057100000000, -0.0001234800000000, -0.0000705400000000 ] - [ 0.0000708200000000, 0.0001094800000000, 0.0000949500000000 ] - [ 0.0000919700000000, -0.0000662000000000, 0.0000839100000000 ] - [ 0.0000382100000000, 0.0000058200000000, -0.0001552200000000 ] - [ -0.0000184600000000, -0.0000120800000000, -0.0001252200000000 ] - [ -0.0000477800000000, -0.0000496400000000, -0.0000491800000000 ] - [ -0.0001184700000000, 0.0000938900000000, -0.0000425600000000 ] - [ -0.0000422100000000, -0.0000190200000000, 0.0000085300000000 ] - [ -0.0002840400000000, 0.0005764300000000, -0.0003694000000000 ] - [ 0.0007751700000000, 0.0002851100000000, 0.0003005900000000 ] - [ 0.0002615300000000, 0.0000949000000000, 0.0000327100000000 ] - [ 0.0007061500000000, -0.0004465900000000, -0.0002990900000000 ] - [ 0.0000366600000000, -0.0000036700000000, -0.0001076800000000 ] - [ -0.0006208700000000, -0.0005870000000000, 0.0000742200000000 ] - [ 0.0000389100000000, -0.0001554200000000, -0.0000389200000000 ] - [ -0.0001719800000000, 0.0004224900000000, -0.0006449900000000 ] - [ 0.0001148700000000, 0.0001425400000000, -0.0001219400000000 ] - [ 0.0005036000000000, -0.0001348300000000, -0.0008302800000000 ] - [ 0.0009240800000000, -0.0019272900000000, 0.0007522700000000 ] - [ -0.0001317900000000, -0.0000360400000000, 0.0001152900000000 ] - [ -0.0010331200000000, 0.0002559300000000, -0.0004770700000000 ] - [ -0.0000491200000000, -0.0000458200000000, 0.0000017400000000 ] - [ -0.0009042000000000, 0.0001602000000000, -0.0005753700000000 ] - [ 0.0004889600000000, -0.0000655000000000, -0.0007615400000000 ] - [ 0.0012473400000000, -0.0018489300000000, 0.0005689500000000 ] - [ -0.0000879800000000, 0.0000969000000000, 0.0001004400000000 ] - [ 0.0000738500000000, -0.0000687000000000, 0.0007536300000000 ] - [ 0.0001836100000000, -0.0001840100000000, -0.0000023300000000 ] - [ 0.0002619400000000, 0.0000962100000000, -0.0002377000000000 ] - [ -0.0000858400000000, -0.0001934000000000, -0.0001399700000000 ] - [ -0.0002259000000000, 0.0000649600000000, 0.0001440900000000 ] - [ -0.0001673100000000, 0.0000992800000000, -0.0002398100000000 ] - [ 0.0193192400000000, -0.0603611600000000, 0.0249350400000000 ] - [ 0.0079215800000000, -0.0053346600000000, -0.0184947400000000 ] - [ -0.0000621100000000, -0.0002960800000000, 0.0000441500000000 ] - [ 0.0000175400000000, 0.0000227600000000, -0.0000156400000000 ] - [ -0.0294633900000000, -0.0138755500000000, -0.0078125100000000 ] - [ -0.0000083100000000, 0.0000001200000000, -0.0000782900000000 ] - [ 0.0000851200000000, -0.0002075300000000, -0.0000008200000000 ] - [ 0.0000829100000000, -0.0000670600000000, 0.0000070700000000 ] - [ 0.0000275700000000, 0.0000904800000000, 0.0000418300000000 ] - [ 0.0001793600000000, 0.0000415700000000, -0.0000794200000000 ] - [ 0.0001280800000000, -0.0001337900000000, -0.0000736600000000 ] - [ -0.0001292200000000, -0.0002064500000000, 0.0000544300000000 ] - [ -0.0000977700000000, 0.0001231300000000, 0.0000750300000000 ] - [ -0.0000517300000000, 0.0001316600000000, 0.0000881100000000 ] - [ 0.0000207700000000, -0.0001443100000000, 0.0000277200000000 ] - [ 0.0000986400000000, -0.0002201800000000, 0.0000557900000000 ] - [ 0.0000723300000000, 0.0000629000000000, -0.0001045500000000 ] - [ -0.0001230800000000, -0.0000153100000000, 0.0000640100000000 ] - [ -0.0274219400000000, -0.0124321800000000, -0.0072989200000000 ] - [ 0.0081961600000000, -0.0066275500000000, -0.0190787400000000 ] - [ 0.0000090600000000, -0.0000792200000000, 0.0000802300000000 ] - [ 0.0178682600000000, -0.0625788800000000, 0.0283093700000000 ] - [ -0.0000023400000000, -0.0000417100000000, 0.0000072500000000 ]- atom: 1 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0001075900000000, -0.0015195500000000, -0.1629186200000000 ] - [ 0.0000684300000000, -0.0000011900000000, -0.0000265900000000 ] - [ -0.0001240400000000, 0.0000971500000000, 0.0000815200000000 ] - [ -0.0001328900000000, -0.0000860200000000, 0.0000305000000000 ] - [ -0.0000884000000000, -0.0006636200000000, 0.0006837400000000 ] - [ 0.0000665100000000, 0.0001552100000000, -0.0000952000000000 ] - [ -0.0001059000000000, -0.0000585900000000, -0.0000713900000000 ] - [ 0.0001413700000000, 0.0008782600000000, 0.0005627000000000 ] - [ 0.0004098500000000, -0.0005007600000000, -0.0006933400000000 ] - [ 0.0000587600000000, 0.0002580300000000, -0.0000919200000000 ] - [ -0.0002844100000000, 0.0003899200000000, -0.0002426800000000 ] - [ 0.0000725800000000, 0.0002729700000000, 0.0000906200000000 ] - [ -0.0000680400000000, -0.0000925300000000, 0.0001201400000000 ] - [ 0.0006809600000000, -0.0002623800000000, -0.0002118400000000 ] - [ -0.0003224700000000, 0.0001183200000000, 0.0001923700000000 ] - [ 0.0000337500000000, 0.0001989400000000, 0.0000518200000000 ] - [ 0.0000086500000000, -0.0002048500000000, 0.0000825000000000 ] - [ -0.0000612100000000, 0.0001994200000000, 0.0000217700000000 ] - [ 0.0001429700000000, -0.0000397900000000, 0.0002025600000000 ] - [ 0.0000879500000000, -0.0000176200000000, 0.0002608600000000 ] - [ -0.0000783000000000, 0.0000153400000000, 0.0000777100000000 ] - [ -0.0001013900000000, -0.0000005800000000, 0.0000218300000000 ] - [ -0.0001903200000000, -0.0001892300000000, 0.0000120200000000 ] - [ -0.0002084000000000, 0.0001950800000000, 0.0000034900000000 ] - [ 0.0000108000000000, -0.0000509600000000, -0.0001760000000000 ] - [ -0.0000411500000000, 0.0000890000000000, -0.0001161300000000 ] - [ -0.0000813900000000, -0.0001062800000000, 0.0000391400000000 ] - [ -0.0000929500000000, 0.0001127000000000, -0.0000083400000000 ] - [ 0.0000395800000000, 0.0000395500000000, -0.0002087200000000 ] - [ 0.0000736500000000, -0.0000475300000000, -0.0001421600000000 ] - [ -0.0000686000000000, -0.0000595900000000, 0.0000421200000000 ] - [ 0.0000158000000000, 0.0001197400000000, -0.0000127600000000 ] - [ 0.0000160800000000, 0.0001391400000000, -0.0000462000000000 ] - [ -0.0000137300000000, -0.0001084600000000, -0.0000820300000000 ] - [ 0.0000197900000000, 0.0001402200000000, -0.0000041900000000 ] - [ 0.0000436400000000, -0.0001519800000000, 0.0000779100000000 ] - [ -0.0000172700000000, -0.0000438900000000, -0.0000860500000000 ] - [ 0.0000495700000000, -0.0000310300000000, -0.0001670200000000 ] - [ -0.0001205700000000, -0.0000415900000000, -0.0000809100000000 ] - [ -0.0000353500000000, 0.0000100100000000, -0.0000120800000000 ] - [ -0.0000332200000000, -0.0000231300000000, -0.0000582900000000 ] - [ -0.0005743400000000, 0.0004259600000000, 0.0002261400000000 ] - [ 0.0008733700000000, -0.0002549600000000, -0.0006013500000000 ] - [ 0.0002456500000000, 0.0000025100000000, -0.0000418600000000 ] - [ -0.0003688100000000, 0.0005279600000000, -0.0003893200000000 ] - [ 0.0000552000000000, 0.0000234600000000, -0.0000891100000000 ] - [ 0.0002399800000000, -0.0000867200000000, -0.0006497500000000 ] - [ 0.0000442200000000, -0.0002362300000000, -0.0001292700000000 ] - [ 0.0006638100000000, 0.0005424600000000, 0.0004850300000000 ] - [ 0.0001265200000000, 0.0001517300000000, -0.0001113500000000 ] - [ -0.0002244000000000, 0.0011800100000000, 0.0018949200000000 ] - [ 0.0006056200000000, -0.0008684300000000, -0.0000329300000000 ] - [ -0.0001448400000000, -0.0000271400000000, 0.0001136500000000 ] - [ 0.0007998300000000, 0.0004142100000000, 0.0001618800000000 ] - [ -0.0000478500000000, -0.0000469200000000, 0.0000020200000000 ] - [ 0.0006959200000000, 0.0004665800000000, 0.0000685400000000 ] - [ -0.0006760800000000, 0.0008419100000000, 0.0018994200000000 ] - [ 0.0006704100000000, -0.0007476800000000, -0.0001862900000000 ] - [ -0.0000179700000000, 0.0001771600000000, 0.0000213200000000 ] - [ -0.0002217400000000, -0.0007866400000000, 0.0010776800000000 ] - [ 0.0001719000000000, -0.0002325000000000, 0.0000069900000000 ] - [ -0.0000302100000000, 0.0002464500000000, -0.0000912200000000 ] - [ 0.0001045800000000, 0.0000791400000000, -0.0000066400000000 ] - [ -0.0002179000000000, -0.0000734700000000, -0.0000973700000000 ] - [ -0.0002619900000000, 0.0000873100000000, 0.0000394600000000 ] - [ 0.0078503500000000, -0.0257195700000000, 0.0116035800000000 ] - [ -0.0284553900000000, 0.0179407800000000, 0.0647405300000000 ] - [ -0.0001139700000000, -0.0001797000000000, 0.0000652200000000 ] - [ 0.0000529600000000, 0.0000557400000000, -0.0000005500000000 ] - [ 0.0179162400000000, 0.0077359500000000, 0.0051807900000000 ] - [ -0.0000478500000000, 0.0000523100000000, 0.0001546300000000 ] - [ 0.0000033900000000, -0.0000731700000000, -0.0001098700000000 ] - [ 0.0000771500000000, -0.0000162600000000, 0.0000136100000000 ] - [ 0.0001594700000000, -0.0000037200000000, 0.0000520600000000 ] - [ 0.0001043000000000, -0.0000035000000000, -0.0000399600000000 ] - [ 0.0002039800000000, -0.0000614400000000, -0.0001026500000000 ] - [ -0.0000374900000000, -0.0001284900000000, 0.0000658300000000 ] - [ -0.0001357300000000, 0.0001058600000000, 0.0000928200000000 ] - [ 0.0000654800000000, 0.0000628900000000, 0.0000877900000000 ] - [ -0.0000068500000000, -0.0000554000000000, 0.0000193700000000 ] - [ 0.0000400000000000, -0.0001218200000000, -0.0001119600000000 ] - [ 0.0000046900000000, 0.0000785200000000, 0.0001559000000000 ] - [ -0.0001105500000000, 0.0000251000000000, 0.0000808900000000 ] - [ 0.0179067900000000, 0.0076721100000000, 0.0050434000000000 ] - [ -0.0253893500000000, 0.0188060400000000, 0.0597411300000000 ] - [ -0.0000432900000000, 0.0000746800000000, 0.0001582300000000 ] - [ 0.0075878900000000, -0.0272766800000000, 0.0122025900000000 ] - [ -0.0000214000000000, 0.0000957200000000, 0.0002331700000000 ]- atom: 1 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000739100000000, 0.0015859700000000, 0.1625970000000000 ] - [ 0.0000732500000000, 0.0000205100000000, -0.0001103400000000 ] - [ -0.0001347700000000, 0.0000755800000000, -0.0000125100000000 ] - [ -0.0001259000000000, -0.0000869000000000, 0.0000382300000000 ] - [ 0.0002254500000000, 0.0002813800000000, -0.0006973000000000 ] - [ 0.0000549800000000, 0.0001784600000000, 0.0000690700000000 ] - [ -0.0000722400000000, -0.0001103500000000, 0.0000844600000000 ] - [ -0.0003600000000000, -0.0007274500000000, -0.0005435500000000 ] - [ -0.0002715500000000, -0.0000705100000000, 0.0005692100000000 ] - [ 0.0000820000000000, 0.0003160300000000, -0.0000295400000000 ] - [ 0.0003395100000000, -0.0006564400000000, 0.0004481600000000 ] - [ -0.0000201900000000, 0.0000016300000000, 0.0001593600000000 ] - [ -0.0000420400000000, -0.0000788000000000, 0.0001837800000000 ] - [ -0.0008044900000000, 0.0004330200000000, 0.0005186000000000 ] - [ 0.0003939400000000, -0.0004928600000000, -0.0000686900000000 ] - [ 0.0000387100000000, 0.0001593200000000, 0.0001177800000000 ] - [ -0.0000361600000000, -0.0002009300000000, 0.0000513300000000 ] - [ 0.0000313800000000, 0.0002053100000000, 0.0001128500000000 ] - [ -0.0000118900000000, 0.0000360100000000, 0.0002854900000000 ] - [ 0.0000442400000000, 0.0000211800000000, 0.0002272000000000 ] - [ -0.0000933900000000, 0.0000091700000000, 0.0000668400000000 ] - [ -0.0000703500000000, -0.0000237300000000, 0.0001234700000000 ] - [ -0.0002089200000000, -0.0002158100000000, 0.0000247500000000 ] - [ -0.0001913500000000, 0.0002097100000000, 0.0000332100000000 ] - [ -0.0000426400000000, -0.0001087900000000, -0.0000949600000000 ] - [ 0.0000104500000000, 0.0000719200000000, -0.0001518900000000 ] - [ -0.0000841200000000, -0.0001195700000000, 0.0000227400000000 ] - [ -0.0000727300000000, 0.0001133800000000, 0.0000713600000000 ] - [ 0.0000923900000000, 0.0000538400000000, -0.0001033300000000 ] - [ 0.0000586100000000, -0.0000461100000000, -0.0001691100000000 ] - [ 0.0000094700000000, -0.0001145200000000, -0.0000059700000000 ] - [ -0.0000745000000000, 0.0000527300000000, 0.0000520000000000 ] - [ -0.0000202700000000, 0.0000763200000000, -0.0000746500000000 ] - [ 0.0000100500000000, -0.0001066500000000, -0.0000385100000000 ] - [ 0.0000783700000000, 0.0001267600000000, 0.0001337500000000 ] - [ 0.0000543000000000, -0.0001152600000000, 0.0000525300000000 ] - [ -0.0000520400000000, 0.0000371200000000, -0.0001408400000000 ] - [ -0.0001183700000000, 0.0000382100000000, -0.0000592800000000 ] - [ -0.0000140600000000, -0.0000170700000000, 0.0000193600000000 ] - [ -0.0001016600000000, 0.0000500400000000, -0.0000499900000000 ] - [ -0.0000414300000000, -0.0000513300000000, 0.0000278800000000 ] - [ 0.0005085900000000, -0.0003354100000000, -0.0002286100000000 ] - [ -0.0003562200000000, 0.0001817700000000, 0.0006059400000000 ] - [ 0.0002617800000000, 0.0000680200000000, 0.0000464400000000 ] - [ 0.0003717800000000, -0.0004459400000000, 0.0002609400000000 ] - [ -0.0000530200000000, -0.0001230300000000, -0.0000663400000000 ] - [ -0.0001530200000000, 0.0004994900000000, 0.0005225300000000 ] - [ 0.0000396300000000, -0.0001755600000000, 0.0000036400000000 ] - [ -0.0003398100000000, -0.0007315200000000, -0.0005576600000000 ] - [ 0.0001564100000000, 0.0000555800000000, 0.0000363100000000 ] - [ 0.0005390300000000, -0.0011885000000000, -0.0017061000000000 ] - [ -0.0002812600000000, 0.0008776900000000, 0.0001962200000000 ] - [ -0.0001319600000000, -0.0000443600000000, 0.0001110900000000 ] - [ -0.0010539000000000, -0.0003363300000000, 0.0000718400000000 ] - [ -0.0000620900000000, -0.0000556800000000, 0.0000078700000000 ] - [ -0.0008250500000000, -0.0003717900000000, -0.0000674700000000 ] - [ 0.0008195100000000, -0.0009173200000000, -0.0019445700000000 ] - [ -0.0005400100000000, 0.0008240500000000, 0.0001653300000000 ] - [ -0.0000870200000000, 0.0001301100000000, 0.0002099400000000 ] - [ 0.0001115000000000, 0.0005027200000000, -0.0008500400000000 ] - [ -0.0000020000000000, -0.0000766500000000, -0.0002186600000000 ] - [ 0.0002013200000000, 0.0000641100000000, -0.0001241500000000 ] - [ -0.0001481600000000, -0.0002800800000000, -0.0001381400000000 ] - [ 0.0001751100000000, 0.0002749400000000, -0.0000505400000000 ] - [ -0.0000715200000000, 0.0001224900000000, -0.0004178100000000 ] - [ -0.0082792400000000, 0.0257838500000000, -0.0120499300000000 ] - [ 0.0274468400000000, -0.0172094900000000, -0.0627814000000000 ] - [ -0.0000718900000000, 0.0000211900000000, -0.0001016000000000 ] - [ 0.0000218400000000, 0.0000873700000000, -0.0001236100000000 ] - [ -0.0179528200000000, -0.0079171700000000, -0.0053437200000000 ] - [ 0.0000825000000000, -0.0000162200000000, -0.0002219600000000 ] - [ 0.0000202800000000, 0.0000376100000000, 0.0000403900000000 ] - [ 0.0001167700000000, -0.0000136600000000, 0.0000191200000000 ] - [ 0.0000371500000000, 0.0000366700000000, -0.0000268300000000 ] - [ 0.0002122300000000, 0.0000647300000000, -0.0001528500000000 ] - [ 0.0001121300000000, -0.0000020400000000, -0.0000911500000000 ] - [ -0.0001574500000000, -0.0001236200000000, 0.0000364900000000 ] - [ -0.0000610100000000, 0.0001479300000000, 0.0000081500000000 ] - [ -0.0000570700000000, 0.0000945400000000, -0.0000172200000000 ] - [ 0.0000197600000000, -0.0001048500000000, 0.0000446300000000 ] - [ 0.0001183100000000, 0.0000228000000000, 0.0000082900000000 ] - [ 0.0001477900000000, 0.0000188100000000, -0.0002622600000000 ] - [ -0.0000959200000000, 0.0000375200000000, -0.0000314700000000 ] - [ -0.0180496600000000, -0.0077093600000000, -0.0049822100000000 ] - [ 0.0261407500000000, -0.0196242200000000, -0.0614707100000000 ] - [ -0.0000171600000000, 0.0001198000000000, -0.0000755200000000 ] - [ -0.0074714400000000, 0.0269729700000000, -0.0119407800000000 ] - [ 0.0000517200000000, -0.0000544300000000, -0.0000918000000000 ]- atom: 3 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0001076600000000, -0.0000099600000000, -0.0000630700000000 ] - [ 0.0001128300000000, -0.0000001400000000, -0.0000720700000000 ] - [ -0.1685986100000000, -0.0007628600000000, -0.0003392200000000 ] - [ -0.0001335300000000, -0.0000817400000000, 0.0000317500000000 ] - [ 0.0000270600000000, -0.0001534000000000, 0.0000060200000000 ] - [ 0.0000507900000000, 0.0001783100000000, -0.0000103300000000 ] - [ -0.0001393700000000, -0.0000697300000000, 0.0000024000000000 ] - [ -0.0000943200000000, 0.0000358400000000, -0.0000568800000000 ] - [ 0.0000353700000000, -0.0002921300000000, -0.0000735800000000 ] - [ 0.0000205800000000, 0.0003278400000000, -0.0000603500000000 ] - [ -0.0000044300000000, -0.0001273000000000, 0.0001435500000000 ] - [ -0.0000018100000000, 0.0000951200000000, 0.0001530500000000 ] - [ -0.0001008200000000, -0.0000913200000000, 0.0001287400000000 ] - [ -0.0001265300000000, 0.0000900400000000, 0.0001454500000000 ] - [ -0.0000542300000000, -0.0001928900000000, 0.0001040900000000 ] - [ -0.0000017700000000, 0.0001926100000000, 0.0000816300000000 ] - [ -0.0000022500000000, -0.0002032500000000, 0.0000689100000000 ] - [ 0.0008246700000000, 0.0004340800000000, 0.0006691000000000 ] - [ 0.0005513100000000, -0.0004882600000000, -0.0005133900000000 ] - [ 0.0000837600000000, 0.0000247500000000, 0.0002348700000000 ] - [ -0.0000641600000000, -0.0000063200000000, 0.0000976600000000 ] - [ -0.0005826100000000, -0.0006946700000000, 0.0003094600000000 ] - [ -0.0001902600000000, -0.0002241700000000, 0.0000247500000000 ] - [ -0.0001022200000000, 0.0006804800000000, -0.0002875300000000 ] - [ -0.0003936600000000, 0.0001885300000000, -0.0006036600000000 ] - [ -0.0000148200000000, 0.0000813700000000, -0.0001180800000000 ] - [ -0.0000829100000000, -0.0001096500000000, -0.0000037500000000 ] - [ -0.0007530300000000, -0.0002755200000000, 0.0002127500000000 ] - [ -0.0005163600000000, -0.0002534500000000, 0.0001374300000000 ] - [ 0.0000769700000000, -0.0000704700000000, -0.0001643400000000 ] - [ -0.0000124200000000, -0.0000980700000000, 0.0000145000000000 ] - [ -0.0004326800000000, 0.0003761400000000, -0.0005691900000000 ] - [ 0.0000165200000000, 0.0000635900000000, -0.0000375300000000 ] - [ 0.0002092200000000, 0.0002768400000000, -0.0004287300000000 ] - [ -0.0004681800000000, -0.0005976400000000, 0.0003574300000000 ] - [ 0.0000705000000000, -0.0001665400000000, 0.0001086600000000 ] - [ -0.0000182900000000, 0.0000242800000000, -0.0001319000000000 ] - [ 0.0006267700000000, -0.0002250500000000, -0.0007216500000000 ] - [ 0.0006890300000000, 0.0002420300000000, 0.0003762500000000 ] - [ -0.0000606700000000, 0.0000202800000000, -0.0000392300000000 ] - [ -0.0000852800000000, -0.0000145500000000, -0.0000087200000000 ] - [ -0.0001297900000000, 0.0000241200000000, 0.0000161200000000 ] - [ 0.0001890700000000, -0.0000113700000000, -0.0000456000000000 ] - [ 0.0002234800000000, -0.0000254000000000, -0.0000253300000000 ] - [ -0.0000398500000000, 0.0000597900000000, -0.0000610000000000 ] - [ -0.0000637300000000, -0.0001456400000000, -0.0000305900000000 ] - [ 0.0000146600000000, 0.0002067000000000, -0.0000729600000000 ] - [ -0.0000069400000000, -0.0001507600000000, -0.0000489100000000 ] - [ 0.0001346400000000, -0.0001483700000000, -0.0001245700000000 ] - [ 0.0000867800000000, 0.0001291500000000, -0.0000481400000000 ] - [ 0.0022575000000000, 0.0007175100000000, -0.0010303200000000 ] - [ 0.0001582500000000, 0.0000159100000000, 0.0000774300000000 ] - [ -0.0002459400000000, -0.0008305200000000, -0.0002611800000000 ] - [ -0.0004043000000000, -0.0004735000000000, 0.0008078300000000 ] - [ 0.0001313300000000, -0.0009358200000000, -0.0003906300000000 ] - [ -0.0001083200000000, -0.0005853700000000, 0.0009148700000000 ] - [ 0.0019342800000000, 0.0006734000000000, -0.0010980500000000 ] - [ 0.0000644900000000, 0.0000278900000000, -0.0000172100000000 ] - [ -0.0000623500000000, 0.0001663100000000, 0.0001193000000000 ] - [ -0.0000642400000000, -0.0001570400000000, 0.0001720700000000 ] - [ 0.0001050900000000, 0.0000725500000000, 0.0001307900000000 ] - [ 0.0001236700000000, 0.0002785300000000, -0.0002011300000000 ] - [ 0.0000794200000000, -0.0001822000000000, 0.0000022200000000 ] - [ 0.0000394900000000, -0.0000372800000000, -0.0002505100000000 ] - [ 0.0000149000000000, 0.0001741200000000, -0.0002238700000000 ] - [ -0.0001164300000000, -0.0001150600000000, -0.0002083800000000 ] - [ 0.0001035300000000, 0.0001331800000000, -0.0000691100000000 ] - [ -0.0000524400000000, -0.0000494800000000, 0.0000098200000000 ] - [ 0.0001145000000000, 0.0000216700000000, -0.0000234100000000 ] - [ 0.0001327200000000, -0.0000432000000000, -0.0000518700000000 ] - [ 0.0664762400000000, 0.0285866000000000, -0.0186596700000000 ] - [ 0.0000029900000000, -0.0000117800000000, -0.0000550400000000 ] - [ 0.0000672000000000, -0.0000824800000000, 0.0000169800000000 ] - [ 0.0125462800000000, -0.0071238500000000, 0.0271533600000000 ] - [ 0.0060554200000000, -0.0183233200000000, -0.0077971900000000 ] - [ 0.0000650100000000, -0.0000001200000000, -0.0000460800000000 ] - [ -0.0001221100000000, -0.0000710600000000, 0.0001226200000000 ] - [ 0.0050946900000000, -0.0188895100000000, -0.0079449600000000 ] - [ 0.0114031800000000, -0.0074627000000000, 0.0269545200000000 ] - [ 0.0000427300000000, -0.0001264900000000, 0.0000566300000000 ] - [ 0.0000814200000000, -0.0000178600000000, -0.0000584600000000 ] - [ 0.0629348600000000, 0.0264536100000000, -0.0170854000000000 ] - [ -0.0000922600000000, -0.0000358700000000, 0.0000281600000000 ] - [ -0.0000419700000000, -0.0000372300000000, 0.0000741900000000 ] - [ 0.0001114800000000, 0.0000005100000000, 0.0000244500000000 ] - [ 0.0000206800000000, 0.0001462800000000, 0.0000568300000000 ] - [ 0.0000718800000000, -0.0000150400000000, 0.0000792100000000 ] - [ 0.0002009800000000, 0.0000774500000000, 0.0000069500000000 ]- atom: 3 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000340800000000, -0.0000088100000000, -0.0000738600000000 ] - [ 0.0000286700000000, 0.0000193500000000, -0.0000651400000000 ] - [ 0.1682629200000000, 0.0008949200000000, 0.0004432400000000 ] - [ -0.0001253500000000, -0.0000911700000000, 0.0000367000000000 ] - [ 0.0000950300000000, -0.0001807000000000, -0.0000351000000000 ] - [ 0.0000707500000000, 0.0001552700000000, -0.0000173600000000 ] - [ -0.0000393400000000, -0.0000987000000000, 0.0000105600000000 ] - [ -0.0000855500000000, 0.0001333400000000, 0.0000724400000000 ] - [ 0.0001046700000000, -0.0002838100000000, -0.0000474000000000 ] - [ 0.0001196200000000, 0.0002454700000000, -0.0000614300000000 ] - [ 0.0000558300000000, -0.0001441800000000, 0.0001042000000000 ] - [ 0.0000532800000000, 0.0001773500000000, 0.0000952800000000 ] - [ -0.0000108200000000, -0.0000790400000000, 0.0001743100000000 ] - [ 0.0000165900000000, 0.0000813800000000, 0.0001585300000000 ] - [ 0.0001263500000000, -0.0001658100000000, 0.0000645000000000 ] - [ 0.0000744200000000, 0.0001657700000000, 0.0000876700000000 ] - [ -0.0000265300000000, -0.0002022500000000, 0.0000651700000000 ] - [ -0.0008345600000000, -0.0000390200000000, -0.0004794100000000 ] - [ -0.0004220500000000, 0.0004382600000000, 0.0009800100000000 ] - [ 0.0000465000000000, -0.0000213300000000, 0.0002533000000000 ] - [ -0.0001079800000000, 0.0000311900000000, 0.0000469200000000 ] - [ 0.0004060500000000, 0.0006568000000000, -0.0001615000000000 ] - [ -0.0002091000000000, -0.0001809400000000, 0.0000120200000000 ] - [ -0.0003422700000000, -0.0002693500000000, 0.0003414900000000 ] - [ 0.0003210400000000, -0.0003577300000000, 0.0003294400000000 ] - [ -0.0000159700000000, 0.0000788700000000, -0.0001509100000000 ] - [ -0.0000823900000000, -0.0001162600000000, 0.0000665500000000 ] - [ 0.0005840900000000, 0.0005038300000000, -0.0001532000000000 ] - [ 0.0006468600000000, 0.0003434900000000, -0.0004474900000000 ] - [ 0.0000544500000000, -0.0000227500000000, -0.0001479200000000 ] - [ -0.0000472300000000, -0.0000749500000000, 0.0000226500000000 ] - [ 0.0004037200000000, -0.0001968400000000, 0.0006129100000000 ] - [ -0.0000211300000000, 0.0001523300000000, -0.0000839300000000 ] - [ -0.0001846500000000, -0.0004975900000000, 0.0002977200000000 ] - [ 0.0005649100000000, 0.0008741100000000, -0.0002314200000000 ] - [ 0.0000270800000000, -0.0001014000000000, 0.0000213300000000 ] - [ -0.0000505500000000, -0.0000312200000000, -0.0000949200000000 ] - [ -0.0006970500000000, 0.0002679400000000, 0.0005111100000000 ] - [ -0.0008373900000000, -0.0002944500000000, -0.0004758500000000 ] - [ -0.0000750600000000, 0.0000389300000000, -0.0000235400000000 ] - [ 0.0000103400000000, -0.0000594900000000, -0.0000217200000000 ] - [ 0.0000560200000000, 0.0000510100000000, -0.0000464300000000 ] - [ 0.0003185100000000, -0.0000593900000000, 0.0000499700000000 ] - [ 0.0002855900000000, 0.0000952400000000, 0.0000306500000000 ] - [ 0.0000436700000000, 0.0000363300000000, -0.0000929300000000 ] - [ 0.0000672000000000, 0.0000487000000000, -0.0001238900000000 ] - [ 0.0000703500000000, 0.0002077200000000, -0.0000527900000000 ] - [ 0.0000917200000000, -0.0002614600000000, -0.0000762800000000 ] - [ 0.0001506500000000, -0.0000585300000000, 0.0000474900000000 ] - [ 0.0001972400000000, 0.0000776400000000, -0.0000269900000000 ] - [ -0.0019129700000000, -0.0007368600000000, 0.0011789300000000 ] - [ 0.0001582800000000, 0.0000092300000000, 0.0000849100000000 ] - [ -0.0000376800000000, 0.0007804700000000, 0.0004937700000000 ] - [ 0.0001255300000000, 0.0005506600000000, -0.0005952600000000 ] - [ -0.0002342000000000, 0.0008137500000000, 0.0003928000000000 ] - [ -0.0000010700000000, 0.0006803600000000, -0.0008920500000000 ] - [ -0.0018261900000000, -0.0007451800000000, 0.0010961100000000 ] - [ 0.0000732400000000, 0.0000356700000000, -0.0000022100000000 ] - [ -0.0000430200000000, 0.0001406800000000, 0.0001129800000000 ] - [ -0.0000418400000000, -0.0001502900000000, 0.0000619600000000 ] - [ 0.0000625200000000, -0.0003807300000000, -0.0003438000000000 ] - [ 0.0000431500000000, 0.0000302500000000, -0.0000115500000000 ] - [ -0.0001208200000000, -0.0000170200000000, -0.0001465000000000 ] - [ -0.0000819000000000, 0.0002362800000000, 0.0001040000000000 ] - [ -0.0003477000000000, 0.0000387000000000, -0.0001571600000000 ] - [ -0.0002162500000000, -0.0001046200000000, -0.0001728800000000 ] - [ -0.0002907900000000, 0.0000234100000000, 0.0000424500000000 ] - [ -0.0001347000000000, -0.0001061200000000, -0.0000434900000000 ] - [ -0.0000381400000000, 0.0001224900000000, -0.0000974500000000 ] - [ -0.0000573700000000, -0.0000992100000000, -0.0000722200000000 ] - [ -0.0644842400000000, -0.0277147400000000, 0.0180061500000000 ] - [ 0.0000250900000000, -0.0000223600000000, -0.0000139100000000 ] - [ 0.0001278800000000, 0.0000511200000000, 0.0000098000000000 ] - [ -0.0122252500000000, 0.0070822100000000, -0.0268831600000000 ] - [ -0.0056740700000000, 0.0183042500000000, 0.0075668400000000 ] - [ 0.0002547500000000, -0.0000634200000000, -0.0001467100000000 ] - [ -0.0000699900000000, -0.0001785300000000, -0.0000197800000000 ] - [ -0.0052844500000000, 0.0192645000000000, 0.0080828100000000 ] - [ -0.0114564200000000, 0.0077236000000000, -0.0271750000000000 ] - [ -0.0000277800000000, -0.0000326800000000, 0.0000125400000000 ] - [ 0.0000751500000000, -0.0000831700000000, -0.0000455900000000 ] - [ -0.0647445100000000, -0.0271971300000000, 0.0175578800000000 ] - [ -0.0001173600000000, 0.0000982500000000, 0.0000183800000000 ] - [ -0.0001687200000000, -0.0000284100000000, -0.0000234700000000 ] - [ -0.0001766600000000, -0.0001944200000000, 0.0000487300000000 ] - [ -0.0000839000000000, 0.0000460500000000, 0.0000244400000000 ] - [ -0.0000460100000000, -0.0000175700000000, 0.0000645800000000 ] - [ -0.0001748500000000, -0.0000375500000000, 0.0001374000000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000688000000000, -0.0000169300000000, -0.0000575500000000 ] - [ 0.0000819100000000, 0.0000513700000000, -0.0000687200000000 ] - [ -0.0009572900000000, -0.1675923400000000, -0.0008750100000000 ] - [ -0.0001341000000000, -0.0000449100000000, 0.0000262500000000 ] - [ 0.0000647800000000, -0.0001510400000000, -0.0000459500000000 ] - [ 0.0000452700000000, 0.0001350700000000, -0.0000155400000000 ] - [ -0.0000630200000000, -0.0001146000000000, 0.0000135000000000 ] - [ -0.0000552100000000, 0.0001013500000000, -0.0000251800000000 ] - [ 0.0000678300000000, -0.0002758600000000, -0.0000633100000000 ] - [ 0.0000925500000000, 0.0002023200000000, -0.0000702600000000 ] - [ 0.0000191900000000, -0.0001210700000000, 0.0001437400000000 ] - [ 0.0000017700000000, 0.0000753800000000, 0.0001462600000000 ] - [ -0.0001431600000000, -0.0000848300000000, 0.0001088800000000 ] - [ -0.0000365700000000, 0.0000910600000000, 0.0001465900000000 ] - [ 0.0000141900000000, -0.0001860600000000, 0.0000753800000000 ] - [ 0.0000789600000000, 0.0001477000000000, 0.0000935900000000 ] - [ -0.0000059700000000, -0.0002171500000000, 0.0000724100000000 ] - [ 0.0002296300000000, -0.0003762600000000, -0.0002033000000000 ] - [ -0.0004270400000000, -0.0002609300000000, 0.0004934900000000 ] - [ 0.0000584200000000, -0.0000476000000000, 0.0002579400000000 ] - [ -0.0001130700000000, -0.0000225200000000, 0.0000376900000000 ] - [ -0.0007966300000000, 0.0005725600000000, -0.0003717500000000 ] - [ -0.0001956300000000, -0.0002482100000000, 0.0000292600000000 ] - [ 0.0002019500000000, 0.0009333900000000, 0.0002990300000000 ] - [ 0.0002127300000000, -0.0005550200000000, -0.0008957100000000 ] - [ 0.0000237600000000, 0.0000349400000000, -0.0002019900000000 ] - [ -0.0000845900000000, -0.0001649600000000, 0.0000926600000000 ] - [ -0.0004845800000000, 0.0003390800000000, 0.0003312500000000 ] - [ -0.0002189100000000, 0.0003006100000000, 0.0003067400000000 ] - [ 0.0000837800000000, -0.0000993100000000, -0.0001014600000000 ] - [ 0.0000047600000000, -0.0001431100000000, -0.0000688300000000 ] - [ 0.0002955800000000, -0.0004276300000000, -0.0006678300000000 ] - [ 0.0000007300000000, 0.0000609200000000, -0.0000327800000000 ] - [ 0.0005837000000000, 0.0006467700000000, 0.0001269100000000 ] - [ -0.0006104000000000, 0.0006566300000000, -0.0002652200000000 ] - [ 0.0000185300000000, -0.0001724100000000, 0.0000296900000000 ] - [ -0.0000460300000000, -0.0000730500000000, -0.0000804600000000 ] - [ -0.0005785400000000, -0.0002834800000000, 0.0002257500000000 ] - [ 0.0001924800000000, -0.0007146000000000, -0.0004547500000000 ] - [ -0.0000629000000000, 0.0000101500000000, -0.0000107000000000 ] - [ 0.0000072400000000, -0.0000992700000000, -0.0000231700000000 ] - [ -0.0000589300000000, 0.0000545600000000, -0.0000262700000000 ] - [ 0.0002575500000000, -0.0000194400000000, -0.0000045600000000 ] - [ 0.0001656900000000, 0.0000294700000000, -0.0000478900000000 ] - [ -0.0000235500000000, 0.0000748000000000, -0.0000433800000000 ] - [ -0.0000465700000000, -0.0001158300000000, -0.0000557600000000 ] - [ 0.0000363200000000, 0.0002166400000000, -0.0000709700000000 ] - [ 0.0000807800000000, -0.0002976500000000, -0.0000869100000000 ] - [ 0.0001876200000000, -0.0000791600000000, -0.0000642600000000 ] - [ 0.0001545500000000, 0.0000658500000000, -0.0000247000000000 ] - [ 0.0010817500000000, -0.0001687900000000, -0.0005122700000000 ] - [ 0.0001555200000000, 0.0000112000000000, 0.0000856800000000 ] - [ -0.0011210600000000, 0.0020952700000000, 0.0007798800000000 ] - [ -0.0004831400000000, 0.0001362300000000, -0.0008191200000000 ] - [ -0.0011798700000000, 0.0017495700000000, 0.0005436500000000 ] - [ -0.0004864300000000, 0.0001163600000000, -0.0007852500000000 ] - [ 0.0009214400000000, -0.0001234900000000, -0.0006378500000000 ] - [ 0.0000604800000000, 0.0000293300000000, -0.0000153400000000 ] - [ -0.0000576700000000, 0.0001304000000000, 0.0001133700000000 ] - [ -0.0000319300000000, -0.0001382200000000, 0.0000844700000000 ] - [ 0.0003043400000000, -0.0001457900000000, 0.0001274300000000 ] - [ 0.0001575000000000, 0.0002530400000000, -0.0001869100000000 ] - [ -0.0002101900000000, -0.0000317000000000, -0.0002095400000000 ] - [ -0.0001280900000000, 0.0001444100000000, 0.0000408300000000 ] - [ -0.0001251700000000, 0.0002001200000000, -0.0001762500000000 ] - [ -0.0001863600000000, -0.0001079300000000, -0.0001708100000000 ] - [ -0.0000286000000000, 0.0000132400000000, 0.0000170800000000 ] - [ -0.0000897100000000, -0.0000184400000000, -0.0000158100000000 ] - [ -0.0000317200000000, 0.0002628200000000, -0.0000115400000000 ] - [ 0.0000413200000000, -0.0000751000000000, -0.0001142600000000 ] - [ 0.0283381200000000, 0.0124562200000000, -0.0077087400000000 ] - [ 0.0000313900000000, 0.0000321900000000, 0.0000091900000000 ] - [ 0.0000584700000000, 0.0002068000000000, 0.0000944600000000 ] - [ -0.0077327900000000, 0.0052847800000000, -0.0185417900000000 ] - [ -0.0184222500000000, 0.0629461700000000, 0.0267164500000000 ] - [ 0.0001801400000000, 0.0000099700000000, -0.0001535600000000 ] - [ -0.0000771600000000, -0.0000741700000000, -0.0000273100000000 ] - [ -0.0179146000000000, 0.0656355700000000, 0.0284431400000000 ] - [ -0.0076751400000000, 0.0054931800000000, -0.0184178400000000 ] - [ -0.0000469200000000, 0.0001037700000000, 0.0000743600000000 ] - [ 0.0001033900000000, -0.0000011300000000, -0.0000081200000000 ] - [ 0.0265314100000000, 0.0115247200000000, -0.0070659000000000 ] - [ -0.0000970100000000, 0.0002017100000000, 0.0001323600000000 ] - [ -0.0000888900000000, -0.0000241400000000, -0.0000327600000000 ] - [ 0.0000367500000000, -0.0001415900000000, 0.0001040500000000 ] - [ -0.0000366100000000, 0.0001549200000000, 0.0000405000000000 ] - [ 0.0000010500000000, -0.0000273000000000, 0.0000921300000000 ] - [ 0.0000599000000000, 0.0000903900000000, 0.0000790700000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000732600000000, -0.0000018400000000, -0.0000792600000000 ] - [ 0.0000597400000000, -0.0000322200000000, -0.0000682000000000 ] - [ 0.0006572900000000, 0.1677584400000000, 0.0009395900000000 ] - [ -0.0001249300000000, -0.0001279800000000, 0.0000423100000000 ] - [ 0.0000562400000000, -0.0001827800000000, 0.0000188200000000 ] - [ 0.0000762300000000, 0.0001996800000000, -0.0000121200000000 ] - [ -0.0001150300000000, -0.0000536500000000, -0.0000006100000000 ] - [ -0.0001231900000000, 0.0000671500000000, 0.0000378200000000 ] - [ 0.0000727300000000, -0.0002984100000000, -0.0000576800000000 ] - [ 0.0000481800000000, 0.0003737200000000, -0.0000505500000000 ] - [ 0.0000326500000000, -0.0001519800000000, 0.0001039500000000 ] - [ 0.0000498900000000, 0.0001966700000000, 0.0001018400000000 ] - [ 0.0000361400000000, -0.0000881300000000, 0.0001955600000000 ] - [ -0.0000733600000000, 0.0000803200000000, 0.0001568100000000 ] - [ 0.0000585300000000, -0.0001725500000000, 0.0000938300000000 ] - [ -0.0000040000000000, 0.0002105500000000, 0.0000754600000000 ] - [ -0.0000225500000000, -0.0001884900000000, 0.0000612300000000 ] - [ -0.0002639600000000, 0.0007792400000000, 0.0003382600000000 ] - [ 0.0005558900000000, 0.0003011500000000, 0.0000049600000000 ] - [ 0.0000722700000000, 0.0000515100000000, 0.0002301700000000 ] - [ -0.0000582100000000, 0.0000485100000000, 0.0001058200000000 ] - [ 0.0006428400000000, -0.0005930700000000, 0.0005599200000000 ] - [ -0.0002033000000000, -0.0001563200000000, 0.0000071100000000 ] - [ -0.0005544800000000, -0.0005174500000000, -0.0002736500000000 ] - [ -0.0002417300000000, 0.0003925200000000, 0.0006148200000000 ] - [ -0.0000541700000000, 0.0001256500000000, -0.0000656800000000 ] - [ -0.0000812500000000, -0.0000612700000000, -0.0000321700000000 ] - [ 0.0003332100000000, -0.0001562400000000, -0.0002663400000000 ] - [ 0.0003351000000000, -0.0001746600000000, -0.0006266000000000 ] - [ 0.0000486800000000, 0.0000058700000000, -0.0002078700000000 ] - [ -0.0000647000000000, -0.0000299500000000, 0.0001051300000000 ] - [ -0.0003600400000000, 0.0006013000000000, 0.0007157800000000 ] - [ -0.0000052000000000, 0.0001541200000000, -0.0000875000000000 ] - [ -0.0006329400000000, -0.0008780300000000, -0.0002421000000000 ] - [ 0.0006895800000000, -0.0003884000000000, 0.0003578200000000 ] - [ 0.0000784400000000, -0.0000961500000000, 0.0001014900000000 ] - [ -0.0000237300000000, 0.0000655400000000, -0.0001457400000000 ] - [ 0.0004968300000000, 0.0002606800000000, -0.0004586200000000 ] - [ -0.0003285000000000, 0.0006559000000000, 0.0003885800000000 ] - [ -0.0000729700000000, 0.0000493300000000, -0.0000509200000000 ] - [ -0.0000847600000000, 0.0000253800000000, -0.0000070500000000 ] - [ -0.0000169800000000, 0.0000206000000000, -0.0000037900000000 ] - [ 0.0002487400000000, -0.0000507200000000, 0.0000090300000000 ] - [ 0.0003379800000000, 0.0000430100000000, 0.0000518500000000 ] - [ 0.0000255400000000, 0.0000235200000000, -0.0001099900000000 ] - [ 0.0000486200000000, 0.0000187300000000, -0.0000980300000000 ] - [ 0.0000474000000000, 0.0001959100000000, -0.0000545400000000 ] - [ 0.0000024600000000, -0.0001167500000000, -0.0000389700000000 ] - [ 0.0000949800000000, -0.0001282400000000, -0.0000105000000000 ] - [ 0.0001279000000000, 0.0001407300000000, -0.0000502200000000 ] - [ -0.0007795900000000, 0.0001420700000000, 0.0006819000000000 ] - [ 0.0001621200000000, 0.0000126400000000, 0.0000771300000000 ] - [ 0.0008568300000000, -0.0021960100000000, -0.0005582300000000 ] - [ 0.0002004500000000, -0.0000562200000000, 0.0010239000000000 ] - [ 0.0010523900000000, -0.0018261100000000, -0.0005293100000000 ] - [ 0.0003835700000000, -0.0000208100000000, 0.0008130900000000 ] - [ -0.0007705300000000, 0.0000617000000000, 0.0006113400000000 ] - [ 0.0000761200000000, 0.0000356500000000, -0.0000038500000000 ] - [ -0.0000478600000000, 0.0001759800000000, 0.0001187100000000 ] - [ -0.0000728800000000, -0.0001684100000000, 0.0001468400000000 ] - [ -0.0001335200000000, -0.0001674000000000, -0.0003363000000000 ] - [ 0.0000144700000000, 0.0000564300000000, -0.0000259700000000 ] - [ 0.0001713800000000, -0.0001663300000000, 0.0000667700000000 ] - [ 0.0000877400000000, 0.0000602800000000, -0.0001857800000000 ] - [ -0.0002061600000000, 0.0000205600000000, -0.0002030300000000 ] - [ -0.0001438700000000, -0.0001044900000000, -0.0002084600000000 ] - [ -0.0001588300000000, 0.0001446900000000, -0.0000508400000000 ] - [ -0.0000985600000000, -0.0001385100000000, -0.0000168100000000 ] - [ 0.0000971300000000, -0.0001203500000000, -0.0001148400000000 ] - [ 0.0000323500000000, -0.0000704300000000, -0.0000101900000000 ] - [ -0.0280154600000000, -0.0123060200000000, 0.0075436000000000 ] - [ -0.0000036800000000, -0.0000662100000000, -0.0000778600000000 ] - [ 0.0001375400000000, -0.0002356800000000, -0.0000575000000000 ] - [ 0.0079769300000000, -0.0053062300000000, 0.0186847200000000 ] - [ 0.0193234000000000, -0.0648510200000000, -0.0277450700000000 ] - [ 0.0001335600000000, -0.0000757900000000, -0.0000432600000000 ] - [ -0.0001168900000000, -0.0001765100000000, 0.0001317400000000 ] - [ 0.0171231100000000, -0.0634163200000000, -0.0274966600000000 ] - [ 0.0076608700000000, -0.0053153800000000, 0.0183884900000000 ] - [ 0.0000604900000000, -0.0002625600000000, -0.0000147100000000 ] - [ 0.0000549600000000, -0.0000993400000000, -0.0000972600000000 ] - [ -0.0266153000000000, -0.0115044500000000, 0.0070383500000000 ] - [ -0.0001020700000000, -0.0001362600000000, -0.0000825300000000 ] - [ -0.0001200200000000, -0.0000412400000000, 0.0000813900000000 ] - [ -0.0000965000000000, -0.0000506300000000, -0.0000234300000000 ] - [ -0.0000220100000000, 0.0000371000000000, 0.0000400900000000 ] - [ 0.0000292000000000, -0.0000095000000000, 0.0000513600000000 ] - [ -0.0000282200000000, -0.0000592900000000, 0.0000632400000000 ]- atom: 3 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000625400000000, -0.0000169600000000, -0.0000214000000000 ] - [ 0.0000750600000000, 0.0000074500000000, -0.0000724400000000 ] - [ -0.0004647700000000, -0.0008020200000000, -0.1673161500000000 ] - [ -0.0001321200000000, -0.0000783100000000, 0.0000694800000000 ] - [ 0.0000711800000000, -0.0001661900000000, -0.0000617600000000 ] - [ 0.0000578000000000, 0.0001605400000000, -0.0000027600000000 ] - [ -0.0000650700000000, -0.0000923300000000, 0.0000242000000000 ] - [ -0.0001189100000000, 0.0000550600000000, -0.0000275700000000 ] - [ 0.0000799100000000, -0.0002793100000000, -0.0000753100000000 ] - [ 0.0000636600000000, 0.0002704300000000, -0.0000676000000000 ] - [ 0.0000458800000000, -0.0001499400000000, 0.0000687900000000 ] - [ 0.0000187300000000, 0.0001394000000000, 0.0001330200000000 ] - [ -0.0000860000000000, -0.0000568600000000, 0.0001664100000000 ] - [ -0.0001345900000000, 0.0001215200000000, 0.0001094400000000 ] - [ 0.0000921600000000, -0.0001748900000000, 0.0000317400000000 ] - [ 0.0000035100000000, 0.0001868300000000, 0.0000988400000000 ] - [ -0.0000143200000000, -0.0002162300000000, 0.0000374500000000 ] - [ 0.0003960000000000, -0.0000793800000000, 0.0002130000000000 ] - [ -0.0006513700000000, 0.0002983900000000, -0.0001301000000000 ] - [ 0.0000766100000000, 0.0000178300000000, 0.0002160100000000 ] - [ -0.0001302400000000, -0.0000847200000000, 0.0000765000000000 ] - [ 0.0001479000000000, -0.0005536700000000, -0.0002982600000000 ] - [ -0.0001919400000000, -0.0001692900000000, -0.0000107400000000 ] - [ -0.0005411500000000, 0.0003819700000000, -0.0006187100000000 ] - [ -0.0002513000000000, -0.0007739200000000, 0.0003893700000000 ] - [ 0.0000035700000000, 0.0000587500000000, -0.0001893300000000 ] - [ -0.0000903000000000, -0.0000941900000000, -0.0000532500000000 ] - [ 0.0001296100000000, 0.0006308500000000, 0.0007937300000000 ] - [ 0.0003013900000000, 0.0004042700000000, 0.0005850700000000 ] - [ 0.0000400600000000, -0.0000020600000000, -0.0002444700000000 ] - [ -0.0000118300000000, -0.0001296500000000, -0.0000467600000000 ] - [ -0.0005545300000000, -0.0005671200000000, 0.0005697100000000 ] - [ -0.0000071400000000, 0.0001581700000000, -0.0001241200000000 ] - [ -0.0002729800000000, 0.0001603400000000, -0.0006802900000000 ] - [ 0.0003542900000000, -0.0003773500000000, -0.0003014000000000 ] - [ -0.0000018600000000, -0.0002089700000000, 0.0000585300000000 ] - [ -0.0000262400000000, 0.0000153900000000, -0.0001531000000000 ] - [ -0.0006842900000000, 0.0002670000000000, -0.0007534400000000 ] - [ 0.0003685200000000, -0.0004573800000000, 0.0002491000000000 ] - [ -0.0000721000000000, 0.0000226100000000, -0.0000651900000000 ] - [ -0.0000725900000000, -0.0000151300000000, 0.0000003500000000 ] - [ 0.0000129400000000, 0.0000446800000000, -0.0000665100000000 ] - [ 0.0001629800000000, 0.0000079300000000, -0.0000595100000000 ] - [ 0.0002345300000000, 0.0000805500000000, 0.0000312600000000 ] - [ 0.0000294600000000, 0.0000437500000000, -0.0001432500000000 ] - [ 0.0000012200000000, -0.0000375600000000, -0.0000637800000000 ] - [ 0.0000549500000000, 0.0002103900000000, -0.0000821500000000 ] - [ 0.0000157500000000, -0.0002274500000000, -0.0000504200000000 ] - [ 0.0001029400000000, -0.0001345100000000, -0.0000840800000000 ] - [ 0.0001706300000000, 0.0000814900000000, -0.0000141400000000 ] - [ -0.0007490900000000, -0.0004531700000000, 0.0000925100000000 ] - [ 0.0001632900000000, 0.0000037600000000, 0.0000835000000000 ] - [ -0.0006757000000000, 0.0009090800000000, -0.0000724100000000 ] - [ 0.0002834500000000, -0.0011934500000000, 0.0020973600000000 ] - [ -0.0006137000000000, 0.0006808300000000, -0.0001663000000000 ] - [ 0.0006662000000000, -0.0009964100000000, 0.0018062500000000 ] - [ -0.0007090600000000, -0.0004815700000000, 0.0000575200000000 ] - [ 0.0000636900000000, 0.0000271800000000, -0.0000157200000000 ] - [ -0.0000583300000000, 0.0001539600000000, 0.0001241100000000 ] - [ -0.0000323600000000, -0.0001434900000000, 0.0000709800000000 ] - [ 0.0003204300000000, 0.0000653100000000, -0.0001038700000000 ] - [ -0.0000414400000000, -0.0000296600000000, -0.0000491200000000 ] - [ 0.0000962900000000, -0.0001988700000000, -0.0000356700000000 ] - [ -0.0000944600000000, 0.0001763600000000, 0.0000186600000000 ] - [ -0.0002091500000000, 0.0001241000000000, -0.0001885300000000 ] - [ -0.0001106200000000, -0.0000716200000000, -0.0001283400000000 ] - [ -0.0001682700000000, 0.0001110400000000, 0.0000506900000000 ] - [ -0.0000655600000000, -0.0000841300000000, -0.0000239600000000 ] - [ 0.0000738800000000, 0.0001340400000000, -0.0001388900000000 ] - [ 0.0001060700000000, -0.0001087900000000, 0.0001270400000000 ] - [ -0.0189683800000000, -0.0078536400000000, 0.0055156700000000 ] - [ -0.0000005200000000, -0.0000165000000000, 0.0000141600000000 ] - [ 0.0001142300000000, 0.0000384400000000, 0.0001051400000000 ] - [ 0.0288349000000000, -0.0183247100000000, 0.0658708300000000 ] - [ -0.0076026200000000, 0.0270575400000000, 0.0118757100000000 ] - [ 0.0002471700000000, -0.0000425500000000, 0.0001082200000000 ] - [ -0.0000212100000000, -0.0001729800000000, 0.0002146900000000 ] - [ -0.0074535200000000, 0.0276878900000000, 0.0121415500000000 ] - [ 0.0260939400000000, -0.0173958500000000, 0.0628305800000000 ] - [ 0.0000181400000000, -0.0000637700000000, 0.0001108100000000 ] - [ 0.0000795700000000, -0.0000576200000000, 0.0000041500000000 ] - [ -0.0179979400000000, -0.0073771700000000, 0.0050677400000000 ] - [ -0.0000514000000000, 0.0000839700000000, -0.0000345900000000 ] - [ -0.0000452300000000, -0.0000840200000000, 0.0002146400000000 ] - [ -0.0000814700000000, -0.0000809800000000, 0.0000710400000000 ] - [ -0.0000177700000000, 0.0000749900000000, 0.0000351500000000 ] - [ 0.0000561500000000, -0.0000021900000000, 0.0001188500000000 ] - [ -0.0000477400000000, 0.0000244400000000, 0.0000858300000000 ]- atom: 3 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000794300000000, -0.0000017300000000, -0.0001153500000000 ] - [ 0.0000665700000000, 0.0000117300000000, -0.0000647200000000 ] - [ 0.0001627300000000, 0.0009732600000000, 0.1673233000000000 ] - [ -0.0001269900000000, -0.0000944500000000, -0.0000008800000000 ] - [ 0.0000504000000000, -0.0001679100000000, 0.0000338500000000 ] - [ 0.0000636500000000, 0.0001735200000000, -0.0000267700000000 ] - [ -0.0001128600000000, -0.0000767700000000, -0.0000097000000000 ] - [ -0.0000583300000000, 0.0001126700000000, 0.0000394300000000 ] - [ 0.0000610000000000, -0.0002954300000000, -0.0000455900000000 ] - [ 0.0000768000000000, 0.0003042800000000, -0.0000534800000000 ] - [ 0.0000054900000000, -0.0001221800000000, 0.0001795600000000 ] - [ 0.0000324200000000, 0.0001330200000000, 0.0001148300000000 ] - [ -0.0000247300000000, -0.0001140200000000, 0.0001374700000000 ] - [ 0.0000252700000000, 0.0000499900000000, 0.0001943200000000 ] - [ -0.0000170600000000, -0.0001829000000000, 0.0001376600000000 ] - [ 0.0000691800000000, 0.0001722600000000, 0.0000697600000000 ] - [ -0.0000143300000000, -0.0001893500000000, 0.0000968200000000 ] - [ -0.0004250100000000, 0.0005002000000000, -0.0001262200000000 ] - [ 0.0007961700000000, -0.0003048900000000, 0.0006214100000000 ] - [ 0.0000543200000000, -0.0000149300000000, 0.0002718800000000 ] - [ -0.0000424400000000, 0.0001058800000000, 0.0000696200000000 ] - [ -0.0003299500000000, 0.0005274800000000, 0.0004008300000000 ] - [ -0.0002074400000000, -0.0002327700000000, 0.0000468200000000 ] - [ 0.0001438500000000, 0.0000170500000000, 0.0006510300000000 ] - [ 0.0002603500000000, 0.0006311300000000, -0.0006522900000000 ] - [ -0.0000345800000000, 0.0001022200000000, -0.0000788200000000 ] - [ -0.0000749700000000, -0.0001314500000000, 0.0001164900000000 ] - [ -0.0003085900000000, -0.0003544800000000, -0.0007171700000000 ] - [ -0.0001657600000000, -0.0003515700000000, -0.0009086800000000 ] - [ 0.0000915400000000, -0.0000924100000000, -0.0000671700000000 ] - [ -0.0000480300000000, -0.0000440400000000, 0.0000841200000000 ] - [ 0.0004544200000000, 0.0007206800000000, -0.0005299400000000 ] - [ 0.0000028700000000, 0.0000542600000000, 0.0000040600000000 ] - [ 0.0002656100000000, -0.0003740600000000, 0.0005587800000000 ] - [ -0.0002511200000000, 0.0006521100000000, 0.0004620500000000 ] - [ 0.0001001900000000, -0.0000546300000000, 0.0000700000000000 ] - [ -0.0000436100000000, -0.0000219400000000, -0.0000727500000000 ] - [ 0.0006045100000000, -0.0002558700000000, 0.0005266300000000 ] - [ -0.0005158600000000, 0.0003845100000000, -0.0002823200000000 ] - [ -0.0000636500000000, 0.0000365400000000, 0.0000025000000000 ] - [ -0.0000035400000000, -0.0000596500000000, -0.0000300600000000 ] - [ -0.0000917900000000, 0.0000294200000000, 0.0000360400000000 ] - [ 0.0003423900000000, -0.0000786600000000, 0.0000638800000000 ] - [ 0.0002718900000000, -0.0000101800000000, -0.0000272900000000 ] - [ -0.0000271500000000, 0.0000539600000000, -0.0000109900000000 ] - [ 0.0000013700000000, -0.0000599800000000, -0.0000896900000000 ] - [ 0.0000276800000000, 0.0002022500000000, -0.0000437800000000 ] - [ 0.0000676500000000, -0.0001855100000000, -0.0000754000000000 ] - [ 0.0001787900000000, -0.0000719600000000, 0.0000103200000000 ] - [ 0.0001118100000000, 0.0001261300000000, -0.0000625300000000 ] - [ 0.0010439100000000, 0.0004205700000000, 0.0000775700000000 ] - [ 0.0001544900000000, 0.0000213700000000, 0.0000780500000000 ] - [ 0.0003916400000000, -0.0009650500000000, 0.0002991300000000 ] - [ -0.0005584000000000, 0.0012495000000000, -0.0018449500000000 ] - [ 0.0005087400000000, -0.0007955100000000, 0.0001740400000000 ] - [ -0.0007849000000000, 0.0011163300000000, -0.0018249200000000 ] - [ 0.0008646300000000, 0.0004258000000000, -0.0000845900000000 ] - [ 0.0000728500000000, 0.0000367100000000, -0.0000024700000000 ] - [ -0.0000475200000000, 0.0001527800000000, 0.0001090300000000 ] - [ -0.0000736700000000, -0.0001630600000000, 0.0001610400000000 ] - [ -0.0001474300000000, -0.0003757400000000, -0.0001112700000000 ] - [ 0.0002145100000000, 0.0003423000000000, -0.0001624200000000 ] - [ -0.0001378400000000, -0.0000009200000000, -0.0001138100000000 ] - [ 0.0000543700000000, 0.0000235700000000, -0.0001635800000000 ] - [ -0.0001205500000000, 0.0000950500000000, -0.0001914300000000 ] - [ -0.0002198100000000, -0.0001441500000000, -0.0002509900000000 ] - [ -0.0000187400000000, 0.0000440400000000, -0.0000863400000000 ] - [ -0.0001195300000000, -0.0000738600000000, -0.0000053000000000 ] - [ 0.0000023400000000, 0.0000099700000000, 0.0000124000000000 ] - [ -0.0000410800000000, -0.0000381700000000, -0.0002517600000000 ] - [ 0.0191219600000000, 0.0079315800000000, -0.0056178500000000 ] - [ 0.0000258800000000, -0.0000202700000000, -0.0000825100000000 ] - [ 0.0000795200000000, -0.0000685600000000, -0.0000794100000000 ] - [ -0.0278040500000000, 0.0177675300000000, -0.0638355900000000 ] - [ 0.0080119100000000, -0.0272766400000000, -0.0121507000000000 ] - [ 0.0000706600000000, -0.0000125900000000, -0.0003013300000000 ] - [ -0.0001750400000000, -0.0000879400000000, -0.0001137600000000 ] - [ 0.0071770300000000, -0.0271774300000000, -0.0119259900000000 ] - [ -0.0269136800000000, 0.0181388600000000, -0.0646945200000000 ] - [ -0.0000038800000000, -0.0000966700000000, -0.0000408300000000 ] - [ 0.0000799000000000, -0.0000412100000000, -0.0001097100000000 ] - [ 0.0180903800000000, 0.0074451300000000, -0.0051518700000000 ] - [ -0.0001569500000000, -0.0000196100000000, 0.0000834000000000 ] - [ -0.0001558000000000, 0.0000208100000000, -0.0001656200000000 ] - [ 0.0000240100000000, -0.0001090000000000, 0.0000127300000000 ] - [ -0.0000413900000000, 0.0001174500000000, 0.0000437700000000 ] - [ -0.0000267500000000, -0.0000321900000000, 0.0000238700000000 ] - [ 0.0000777100000000, 0.0000084400000000, 0.0000566300000000 ]- atom: 5 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ -0.0005953600000000, -0.0004682800000000, -0.0002239100000000 ] - [ 0.0000699700000000, 0.0000126700000000, -0.0000627900000000 ] - [ -0.0001638100000000, 0.0000904900000000, 0.0000447500000000 ] - [ -0.0001396900000000, -0.0000707400000000, 0.0000313000000000 ] - [ -0.0249601500000000, 0.0120199500000000, 0.0105111800000000 ] - [ 0.0000624100000000, 0.0001560500000000, 0.0000016000000000 ] - [ -0.0000388000000000, 0.0005639000000000, -0.0001151800000000 ] - [ -0.0001593700000000, 0.0000289600000000, 0.0001433600000000 ] - [ -0.0000608700000000, -0.0006459400000000, 0.0017149000000000 ] - [ 0.0000476600000000, 0.0003186900000000, -0.0000467700000000 ] - [ 0.0008958700000000, -0.0015100700000000, 0.0012343800000000 ] - [ 0.0000025700000000, 0.0000849300000000, 0.0000951600000000 ] - [ -0.0000813300000000, -0.0001280900000000, 0.0001355400000000 ] - [ -0.0001925000000000, 0.0000523100000000, 0.0003021700000000 ] - [ 0.0026784900000000, -0.0016975800000000, 0.0036349000000000 ] - [ 0.0000314800000000, 0.0001847300000000, 0.0000801400000000 ] - [ 0.0000185400000000, -0.0002081600000000, 0.0000760400000000 ] - [ -0.0000003100000000, 0.0002023800000000, 0.0000443900000000 ] - [ 0.0007088800000000, -0.0000370700000000, -0.0000227000000000 ] - [ 0.0001121800000000, 0.0000153700000000, 0.0002245800000000 ] - [ -0.0000497700000000, 0.0000642400000000, 0.0000945000000000 ] - [ -0.0000740000000000, -0.0000071800000000, 0.0000643600000000 ] - [ -0.0001332200000000, -0.0002581200000000, 0.0000226500000000 ] - [ -0.0001715600000000, 0.0001778900000000, -0.0000086600000000 ] - [ 0.0000592900000000, -0.0000394400000000, -0.0001899500000000 ] - [ 0.0000022300000000, 0.0000700700000000, -0.0001410000000000 ] - [ -0.0000693800000000, -0.0001110100000000, 0.0000351800000000 ] - [ -0.0000768100000000, 0.0001068700000000, 0.0000224900000000 ] - [ 0.0001286900000000, 0.0000676800000000, -0.0001071100000000 ] - [ 0.0000823600000000, -0.0000540900000000, -0.0001588400000000 ] - [ 0.0000247700000000, -0.0001151600000000, 0.0000101800000000 ] - [ -0.0000015100000000, 0.0001032000000000, 0.0000094600000000 ] - [ 0.0000925700000000, 0.0000173000000000, -0.0000706200000000 ] - [ 0.0000616700000000, -0.0000557400000000, -0.0000467400000000 ] - [ 0.0000762600000000, 0.0001214300000000, 0.0000799600000000 ] - [ 0.0000587600000000, -0.0001348700000000, 0.0000642300000000 ] - [ 0.0000215200000000, -0.0000319400000000, -0.0001256100000000 ] - [ -0.0000123000000000, -0.0000000300000000, -0.0001191600000000 ] - [ 0.0000335600000000, 0.0000092300000000, 0.0000072600000000 ] - [ -0.0000316000000000, -0.0000006000000000, -0.0000377100000000 ] - [ -0.0000490800000000, -0.0000581500000000, 0.0000057700000000 ] - [ -0.0001087300000000, 0.0001454300000000, -0.0000676500000000 ] - [ 0.0036913400000000, 0.0013345600000000, -0.0032141700000000 ] - [ 0.0002476800000000, 0.0000033400000000, 0.0000106700000000 ] - [ 0.0011075400000000, -0.0003205800000000, -0.0015420600000000 ] - [ 0.0004662000000000, -0.0010913500000000, 0.0009048300000000 ] - [ 0.0000453300000000, 0.0002740500000000, -0.0001503800000000 ] - [ 0.0000281200000000, -0.0002097400000000, -0.0000574100000000 ] - [ 0.0004393800000000, 0.0013334400000000, -0.0014067100000000 ] - [ 0.0001319900000000, 0.0001047800000000, -0.0000420000000000 ] - [ 0.0003557300000000, -0.0008809300000000, -0.0003338100000000 ] - [ 0.0001761300000000, -0.0000251000000000, 0.0001261500000000 ] - [ -0.0001397500000000, -0.0000176500000000, 0.0001206000000000 ] - [ -0.0001260000000000, 0.0000379600000000, 0.0001431800000000 ] - [ -0.0000532000000000, -0.0000636900000000, -0.0000063800000000 ] - [ -0.0000088400000000, 0.0000684900000000, -0.0000059700000000 ] - [ 0.0001012200000000, -0.0000325000000000, -0.0000704900000000 ] - [ 0.0006201700000000, -0.0006449700000000, -0.0002701900000000 ] - [ -0.0000603300000000, 0.0001662700000000, 0.0001633500000000 ] - [ -0.0000215600000000, -0.0001741700000000, 0.0001118800000000 ] - [ -0.0002307100000000, 0.0000417500000000, -0.0003606700000000 ] - [ -0.0000030900000000, 0.0001884600000000, -0.0000175100000000 ] - [ -0.0000556500000000, -0.0001385000000000, -0.0001342600000000 ] - [ -0.0000267400000000, 0.0000852500000000, -0.0000541300000000 ] - [ 0.0000207300000000, 0.0003474200000000, -0.0001541200000000 ] - [ -0.0007368100000000, -0.0006353300000000, 0.0003967700000000 ] - [ 0.0061252600000000, -0.0075120400000000, 0.0026236200000000 ] - [ -0.0000754700000000, -0.0000485600000000, -0.0000225100000000 ] - [ 0.0000519000000000, 0.0000346400000000, -0.0000116900000000 ] - [ 0.0014191900000000, 0.0007284200000000, -0.0005610000000000 ] - [ -0.0001552900000000, 0.0000931400000000, 0.0001674500000000 ] - [ -0.0000147100000000, 0.0000259600000000, -0.0000552700000000 ] - [ 0.0000304500000000, -0.0000602700000000, 0.0000096700000000 ] - [ 0.0000886600000000, 0.0000230100000000, 0.0000111400000000 ] - [ -0.0000320000000000, -0.0001013000000000, -0.0000847100000000 ] - [ 0.0000166400000000, -0.0000715600000000, -0.0001044700000000 ] - [ -0.0001974600000000, -0.0001407700000000, 0.0000853200000000 ] - [ -0.0000993300000000, 0.0001507000000000, 0.0000522200000000 ] - [ -0.0001891600000000, 0.0000067000000000, 0.0000029600000000 ] - [ -0.0000047800000000, -0.0000620300000000, 0.0000580600000000 ] - [ -0.0001164800000000, 0.0000507400000000, 0.0000070400000000 ] - [ 0.0000070200000000, 0.0000423500000000, -0.0001260200000000 ] - [ -0.0001030400000000, 0.0000160300000000, 0.0000246400000000 ] - [ 0.0011131800000000, 0.0005353500000000, 0.0005788600000000 ] - [ -0.0008130800000000, 0.0004989000000000, -0.0007882500000000 ] - [ 0.0001118100000000, 0.0002379000000000, -0.0000929600000000 ] - [ 0.0086551900000000, -0.0031986000000000, -0.0130386400000000 ] - [ 0.0001130100000000, 0.0000185000000000, -0.0000386400000000 ]- atom: 5 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0007355900000000, 0.0004482800000000, 0.0000901200000000 ] - [ 0.0000701700000000, 0.0000073800000000, -0.0000733500000000 ] - [ -0.0000947100000000, 0.0000818200000000, 0.0000249200000000 ] - [ -0.0001189400000000, -0.0001013300000000, 0.0000382900000000 ] - [ 0.0251043100000000, -0.0123556100000000, -0.0103471500000000 ] - [ 0.0000589000000000, 0.0001824700000000, -0.0000263000000000 ] - [ -0.0001370000000000, -0.0007360800000000, 0.0001290700000000 ] - [ -0.0000193100000000, 0.0001375300000000, -0.0001324500000000 ] - [ 0.0002069100000000, 0.0000621500000000, -0.0018398500000000 ] - [ 0.0000903900000000, 0.0002560100000000, -0.0000737900000000 ] - [ -0.0008349900000000, 0.0011936600000000, -0.0009838100000000 ] - [ 0.0000461300000000, 0.0001854500000000, 0.0001541200000000 ] - [ -0.0000287500000000, -0.0000438400000000, 0.0001669300000000 ] - [ 0.0000836000000000, 0.0001203700000000, -0.0000009900000000 ] - [ -0.0026750500000000, 0.0013860200000000, -0.0035238400000000 ] - [ 0.0000407000000000, 0.0001742300000000, 0.0000915900000000 ] - [ -0.0000431200000000, -0.0001982300000000, 0.0000616700000000 ] - [ -0.0000252000000000, 0.0002036700000000, 0.0000934600000000 ] - [ -0.0005930900000000, 0.0000329300000000, 0.0005174200000000 ] - [ 0.0000201700000000, -0.0000102700000000, 0.0002605500000000 ] - [ -0.0001202200000000, -0.0000385600000000, 0.0000514200000000 ] - [ -0.0000964300000000, -0.0000182100000000, 0.0000815000000000 ] - [ -0.0002636900000000, -0.0001472800000000, 0.0000142900000000 ] - [ -0.0002257400000000, 0.0002280800000000, 0.0000460000000000 ] - [ -0.0000898100000000, -0.0001196200000000, -0.0000799400000000 ] - [ -0.0000327100000000, 0.0000893100000000, -0.0001283000000000 ] - [ -0.0000961800000000, -0.0001183200000000, 0.0000286400000000 ] - [ -0.0000889700000000, 0.0001225300000000, 0.0000412900000000 ] - [ -0.0000003800000000, 0.0000219100000000, -0.0002042800000000 ] - [ 0.0000464400000000, -0.0000358200000000, -0.0001529600000000 ] - [ -0.0000872500000000, -0.0000550200000000, 0.0000267900000000 ] - [ -0.0000618400000000, 0.0000660700000000, 0.0000279400000000 ] - [ -0.0001017600000000, 0.0001980100000000, -0.0000530100000000 ] - [ -0.0000715400000000, -0.0001597600000000, -0.0000757600000000 ] - [ 0.0000181100000000, 0.0001454500000000, 0.0000484000000000 ] - [ 0.0000356500000000, -0.0001322800000000, 0.0000639500000000 ] - [ -0.0000917000000000, 0.0000235500000000, -0.0000984200000000 ] - [ -0.0000580800000000, 0.0000080200000000, -0.0001046200000000 ] - [ -0.0001687700000000, -0.0000702400000000, -0.0000723800000000 ] - [ -0.0001062000000000, 0.0000627700000000, -0.0000299500000000 ] - [ -0.0000278800000000, -0.0000179600000000, -0.0000393300000000 ] - [ 0.0000300900000000, -0.0000679200000000, 0.0000340600000000 ] - [ -0.0030956500000000, -0.0013943500000000, 0.0031459900000000 ] - [ 0.0002579900000000, 0.0000678300000000, -0.0000042800000000 ] - [ -0.0011160500000000, 0.0004422500000000, 0.0014151800000000 ] - [ -0.0004555200000000, 0.0009756400000000, -0.0010432100000000 ] - [ 0.0000430200000000, 0.0001422000000000, 0.0000218200000000 ] - [ 0.0000601500000000, -0.0002065800000000, -0.0000712200000000 ] - [ -0.0001611400000000, -0.0015226900000000, 0.0013334200000000 ] - [ 0.0001527300000000, 0.0000992400000000, -0.0000329800000000 ] - [ -0.0000390700000000, 0.0008647400000000, 0.0004955400000000 ] - [ 0.0001391400000000, 0.0000476000000000, 0.0000357100000000 ] - [ -0.0001354600000000, -0.0000515700000000, 0.0001032000000000 ] - [ -0.0001489100000000, 0.0000313200000000, 0.0000803900000000 ] - [ -0.0000600700000000, -0.0000409800000000, 0.0000179900000000 ] - [ -0.0001058700000000, 0.0000367500000000, 0.0000168200000000 ] - [ 0.0000375600000000, -0.0000341000000000, 0.0000543800000000 ] - [ -0.0004765500000000, 0.0007053500000000, 0.0002479600000000 ] - [ -0.0000436700000000, 0.0001385600000000, 0.0000699500000000 ] - [ -0.0000828900000000, -0.0001325500000000, 0.0001253500000000 ] - [ 0.0003997800000000, -0.0003524800000000, 0.0001462700000000 ] - [ 0.0001741700000000, 0.0001224300000000, -0.0001970800000000 ] - [ 0.0000166700000000, -0.0000606300000000, -0.0000106300000000 ] - [ -0.0000130900000000, 0.0001166500000000, -0.0000911700000000 ] - [ -0.0003591200000000, -0.0001325300000000, -0.0002256400000000 ] - [ 0.0004006100000000, 0.0004260100000000, -0.0007937700000000 ] - [ -0.0062579200000000, 0.0077177300000000, -0.0026067500000000 ] - [ -0.0001142900000000, -0.0001104400000000, -0.0000090300000000 ] - [ 0.0000195700000000, 0.0001100800000000, -0.0001138800000000 ] - [ -0.0013610800000000, -0.0008674300000000, 0.0004422100000000 ] - [ 0.0001859500000000, -0.0000575900000000, -0.0002359400000000 ] - [ 0.0000428200000000, -0.0000625300000000, -0.0000147100000000 ] - [ 0.0001650200000000, 0.0000316700000000, 0.0000230900000000 ] - [ 0.0001089000000000, 0.0000058100000000, 0.0000196200000000 ] - [ 0.0003504200000000, 0.0001623100000000, -0.0001089300000000 ] - [ 0.0003012900000000, 0.0000122800000000, -0.0000904200000000 ] - [ 0.0000036400000000, -0.0001158200000000, 0.0000187300000000 ] - [ -0.0000956900000000, 0.0001053200000000, 0.0000500200000000 ] - [ 0.0001994500000000, 0.0001539600000000, 0.0000609700000000 ] - [ 0.0000178200000000, -0.0000991400000000, 0.0000044700000000 ] - [ 0.0002736200000000, -0.0001483700000000, -0.0001084600000000 ] - [ 0.0001521700000000, 0.0000546700000000, 0.0000228300000000 ] - [ -0.0001014500000000, 0.0000492300000000, 0.0000262200000000 ] - [ -0.0013089500000000, -0.0006089700000000, -0.0005290400000000 ] - [ 0.0007523500000000, -0.0006850700000000, 0.0008535800000000 ] - [ -0.0001730800000000, -0.0000393200000000, 0.0001738100000000 ] - [ -0.0086930200000000, 0.0030731200000000, 0.0130521000000000 ] - [ -0.0000841500000000, 0.0000190700000000, 0.0001775900000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003872200000000, 0.0002713500000000, -0.0005443300000000 ] - [ 0.0000712100000000, -0.0000355200000000, -0.0000558600000000 ] - [ -0.0001148600000000, 0.0001020100000000, 0.0000361600000000 ] - [ -0.0001401500000000, -0.0001179600000000, 0.0000417100000000 ] - [ 0.0125329600000000, -0.0597364700000000, 0.0214087300000000 ] - [ 0.0000720400000000, 0.0001858400000000, -0.0001192500000000 ] - [ 0.0002365200000000, 0.0021843400000000, -0.0009942200000000 ] - [ -0.0001414600000000, -0.0000942000000000, -0.0000430700000000 ] - [ 0.0010347800000000, 0.0001008500000000, 0.0032645500000000 ] - [ 0.0000453800000000, 0.0003288800000000, -0.0000469100000000 ] - [ -0.0020139000000000, 0.0060005600000000, -0.0014425000000000 ] - [ 0.0000698100000000, 0.0002522800000000, 0.0001329600000000 ] - [ -0.0000119600000000, 0.0000873100000000, 0.0001624300000000 ] - [ -0.0000410900000000, -0.0000622600000000, 0.0001179000000000 ] - [ -0.0020116700000000, -0.0005643900000000, -0.0008888800000000 ] - [ 0.0001092800000000, 0.0002301900000000, 0.0000004900000000 ] - [ -0.0000704700000000, -0.0001581200000000, 0.0000740900000000 ] - [ -0.0000481000000000, 0.0001904700000000, 0.0000581700000000 ] - [ 0.0001013900000000, -0.0001110000000000, 0.0001890700000000 ] - [ 0.0001011600000000, 0.0000575500000000, 0.0002233000000000 ] - [ -0.0000730700000000, 0.0000426600000000, 0.0000961400000000 ] - [ -0.0000773200000000, -0.0000412900000000, 0.0000549900000000 ] - [ -0.0002945200000000, -0.0000606300000000, 0.0000127800000000 ] - [ -0.0002282600000000, 0.0001841600000000, 0.0000296200000000 ] - [ -0.0000706300000000, -0.0001367900000000, -0.0000585200000000 ] - [ -0.0000335100000000, 0.0001038500000000, -0.0001341900000000 ] - [ -0.0000845200000000, -0.0000880900000000, 0.0000362200000000 ] - [ -0.0000887800000000, 0.0001118000000000, 0.0000103300000000 ] - [ 0.0000433600000000, 0.0000114600000000, -0.0001658500000000 ] - [ 0.0000641600000000, -0.0000411800000000, -0.0001558300000000 ] - [ -0.0001008200000000, -0.0000344700000000, 0.0000573400000000 ] - [ -0.0000426800000000, 0.0000796400000000, -0.0000095200000000 ] - [ -0.0000183000000000, 0.0000965300000000, -0.0000266600000000 ] - [ -0.0000253300000000, -0.0001522900000000, -0.0000893600000000 ] - [ 0.0000526700000000, 0.0001220300000000, 0.0000858100000000 ] - [ 0.0000591900000000, -0.0000855600000000, 0.0000636900000000 ] - [ -0.0001245200000000, 0.0001139600000000, -0.0001043400000000 ] - [ -0.0000199800000000, -0.0000169300000000, -0.0001363400000000 ] - [ -0.0002085000000000, -0.0000973300000000, -0.0001004300000000 ] - [ -0.0000897200000000, 0.0000413800000000, -0.0000078000000000 ] - [ -0.0000919100000000, 0.0000859700000000, 0.0000000000000000 ] - [ 0.0000401300000000, 0.0000414100000000, -0.0000876500000000 ] - [ -0.0008540100000000, -0.0001237900000000, 0.0004859800000000 ] - [ 0.0002019500000000, 0.0000889300000000, -0.0000808800000000 ] - [ 0.0003336600000000, -0.0008743200000000, 0.0008225000000000 ] - [ -0.0004036400000000, 0.0014463100000000, -0.0013861700000000 ] - [ 0.0001401300000000, 0.0001219600000000, -0.0001504900000000 ] - [ 0.0000353100000000, -0.0001067300000000, -0.0000184900000000 ] - [ 0.0033622600000000, 0.0042805100000000, -0.0012668800000000 ] - [ 0.0001297500000000, 0.0001628200000000, -0.0001069100000000 ] - [ -0.0002951300000000, 0.0013579200000000, 0.0010551800000000 ] - [ 0.0001033300000000, 0.0002071600000000, -0.0000337300000000 ] - [ -0.0000960800000000, -0.0000482900000000, 0.0001224100000000 ] - [ -0.0001896500000000, 0.0000006500000000, 0.0001055100000000 ] - [ -0.0000740300000000, -0.0000313800000000, -0.0000004100000000 ] - [ 0.0000356900000000, 0.0000809000000000, 0.0000021700000000 ] - [ 0.0000776200000000, -0.0000834800000000, 0.0000217400000000 ] - [ -0.0009429200000000, 0.0010558200000000, 0.0007367800000000 ] - [ -0.0001333300000000, 0.0003047600000000, 0.0002545400000000 ] - [ -0.0000454800000000, 0.0000235000000000, -0.0000900800000000 ] - [ 0.0005312800000000, -0.0002057500000000, -0.0000372700000000 ] - [ 0.0000607800000000, 0.0001874600000000, -0.0000555600000000 ] - [ -0.0002054700000000, -0.0003709300000000, -0.0002247300000000 ] - [ -0.0000752000000000, 0.0000455700000000, -0.0000128700000000 ] - [ -0.0003223400000000, -0.0002390400000000, -0.0004382000000000 ] - [ -0.0002466900000000, -0.0004992300000000, -0.0009501200000000 ] - [ -0.0090418300000000, 0.0352368200000000, -0.0213447300000000 ] - [ -0.0001909800000000, -0.0001857100000000, 0.0001766500000000 ] - [ -0.0002399700000000, -0.0001592400000000, 0.0004700700000000 ] - [ 0.0003821300000000, 0.0008446800000000, -0.0008522800000000 ] - [ 0.0002249600000000, 0.0002629300000000, -0.0001206000000000 ] - [ 0.0001040400000000, -0.0002234100000000, 0.0000258000000000 ] - [ 0.0001250600000000, -0.0000936000000000, -0.0000240000000000 ] - [ 0.0001118700000000, 0.0000284000000000, 0.0000736000000000 ] - [ 0.0000633700000000, 0.0000738900000000, -0.0000531700000000 ] - [ 0.0000981300000000, 0.0000878000000000, -0.0001399000000000 ] - [ 0.0000035200000000, -0.0002820700000000, 0.0000337400000000 ] - [ -0.0001024900000000, 0.0000920400000000, 0.0000541800000000 ] - [ 0.0001134200000000, 0.0002013500000000, -0.0000892900000000 ] - [ -0.0000081200000000, -0.0001127600000000, 0.0000409900000000 ] - [ 0.0005246900000000, -0.0001065700000000, -0.0002675100000000 ] - [ 0.0001211900000000, 0.0000615500000000, 0.0000677600000000 ] - [ -0.0000536800000000, -0.0000153300000000, 0.0000063000000000 ] - [ 0.0009670600000000, 0.0007685000000000, -0.0006155900000000 ] - [ -0.0002152800000000, -0.0017045600000000, 0.0019614300000000 ] - [ 0.0002448700000000, -0.0007895400000000, 0.0001791800000000 ] - [ -0.0022027200000000, 0.0098986700000000, 0.0001281300000000 ] - [ -0.0001377900000000, -0.0000572100000000, 0.0005902700000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005254700000000, -0.0003033500000000, 0.0003995800000000 ] - [ 0.0000694900000000, 0.0000549000000000, -0.0000806500000000 ] - [ -0.0001431600000000, 0.0000704800000000, 0.0000337600000000 ] - [ -0.0001177500000000, -0.0000542500000000, 0.0000278000000000 ] - [ -0.0118290900000000, 0.0577644200000000, -0.0204461800000000 ] - [ 0.0000495100000000, 0.0001526800000000, 0.0000933900000000 ] - [ -0.0004349900000000, -0.0024200900000000, 0.0010266400000000 ] - [ -0.0000362600000000, 0.0002615900000000, 0.0000536700000000 ] - [ -0.0009051200000000, -0.0006785900000000, -0.0034073300000000 ] - [ 0.0000922700000000, 0.0002493000000000, -0.0000744500000000 ] - [ 0.0020613800000000, -0.0062181400000000, 0.0016635600000000 ] - [ -0.0000205700000000, 0.0000181300000000, 0.0001162000000000 ] - [ -0.0000977300000000, -0.0002602600000000, 0.0001407700000000 ] - [ -0.0000679500000000, 0.0002338200000000, 0.0001844900000000 ] - [ 0.0020683900000000, 0.0001956100000000, 0.0010691200000000 ] - [ -0.0000369300000000, 0.0001286700000000, 0.0001714900000000 ] - [ 0.0000449700000000, -0.0002477800000000, 0.0000634100000000 ] - [ 0.0000224000000000, 0.0002154600000000, 0.0000789300000000 ] - [ 0.0000348000000000, 0.0001049500000000, 0.0002948500000000 ] - [ 0.0000307200000000, -0.0000523200000000, 0.0002622800000000 ] - [ -0.0000968300000000, -0.0000167900000000, 0.0000496000000000 ] - [ -0.0000930300000000, 0.0000167900000000, 0.0000903400000000 ] - [ -0.0001025000000000, -0.0003443900000000, 0.0000243000000000 ] - [ -0.0001688000000000, 0.0002204100000000, 0.0000074400000000 ] - [ 0.0000404700000000, -0.0000228100000000, -0.0002104700000000 ] - [ 0.0000031600000000, 0.0000558200000000, -0.0001350400000000 ] - [ -0.0000805000000000, -0.0001411400000000, 0.0000279600000000 ] - [ -0.0000764500000000, 0.0001172000000000, 0.0000529000000000 ] - [ 0.0000850100000000, 0.0000780600000000, -0.0001465800000000 ] - [ 0.0000650800000000, -0.0000481900000000, -0.0001564400000000 ] - [ 0.0000391900000000, -0.0001353400000000, -0.0000200500000000 ] - [ -0.0000199500000000, 0.0000902500000000, 0.0000459200000000 ] - [ 0.0000085800000000, 0.0001216200000000, -0.0000970100000000 ] - [ 0.0000162900000000, -0.0000623600000000, -0.0000333800000000 ] - [ 0.0000427900000000, 0.0001437800000000, 0.0000428100000000 ] - [ 0.0000356400000000, -0.0001819100000000, 0.0000643800000000 ] - [ 0.0000567400000000, -0.0001229900000000, -0.0001201700000000 ] - [ -0.0000495400000000, 0.0000243800000000, -0.0000879800000000 ] - [ 0.0000693000000000, 0.0000352100000000, 0.0000336100000000 ] - [ -0.0000467900000000, 0.0000205300000000, -0.0000601900000000 ] - [ 0.0000155900000000, -0.0001617800000000, -0.0000330700000000 ] - [ -0.0001162500000000, 0.0000351200000000, 0.0000543500000000 ] - [ 0.0013331300000000, 0.0000515400000000, -0.0004636600000000 ] - [ 0.0003042000000000, -0.0000179000000000, 0.0000872800000000 ] - [ -0.0003485900000000, 0.0009839500000000, -0.0009387600000000 ] - [ 0.0004235900000000, -0.0015614600000000, 0.0012548100000000 ] - [ -0.0000509000000000, 0.0002910100000000, 0.0000218300000000 ] - [ 0.0000537600000000, -0.0003100600000000, -0.0001100000000000 ] - [ -0.0030079400000000, -0.0043718000000000, 0.0011773200000000 ] - [ 0.0001556700000000, 0.0000411800000000, 0.0000316800000000 ] - [ 0.0006016300000000, -0.0013581100000000, -0.0008795000000000 ] - [ 0.0002119300000000, -0.0001829100000000, 0.0001940300000000 ] - [ -0.0001787900000000, -0.0000199800000000, 0.0001017600000000 ] - [ -0.0000852600000000, 0.0000696800000000, 0.0001175300000000 ] - [ -0.0000381800000000, -0.0000737600000000, 0.0000116500000000 ] - [ -0.0001481400000000, 0.0000231400000000, 0.0000088700000000 ] - [ 0.0000619400000000, 0.0000166800000000, -0.0000373400000000 ] - [ 0.0011018600000000, -0.0010082600000000, -0.0007665900000000 ] - [ 0.0000287000000000, 0.0000014900000000, -0.0000190900000000 ] - [ -0.0000582300000000, -0.0003290600000000, 0.0003260100000000 ] - [ -0.0003618100000000, -0.0001106100000000, -0.0001758800000000 ] - [ 0.0001101900000000, 0.0001224900000000, -0.0001585100000000 ] - [ 0.0001638900000000, 0.0001704300000000, 0.0000776100000000 ] - [ 0.0000352600000000, 0.0001572600000000, -0.0001320500000000 ] - [ -0.0000160900000000, 0.0004577800000000, 0.0000590700000000 ] - [ -0.0000970100000000, 0.0003041600000000, 0.0005424700000000 ] - [ 0.0082448900000000, -0.0335400600000000, 0.0203082200000000 ] - [ 0.0000000600000000, 0.0000256700000000, -0.0002051000000000 ] - [ 0.0003118700000000, 0.0003003300000000, -0.0005990900000000 ] - [ -0.0002997800000000, -0.0009976400000000, 0.0007314200000000 ] - [ -0.0001950900000000, -0.0002247600000000, 0.0000539700000000 ] - [ -0.0000724400000000, 0.0001864000000000, -0.0000959700000000 ] - [ 0.0000722300000000, 0.0000641800000000, 0.0000560400000000 ] - [ 0.0000869400000000, 0.0000002400000000, -0.0000409300000000 ] - [ 0.0002549000000000, -0.0000165700000000, -0.0001385300000000 ] - [ 0.0002231800000000, -0.0001493100000000, -0.0000543100000000 ] - [ -0.0001962600000000, 0.0000260700000000, 0.0000703600000000 ] - [ -0.0000916300000000, 0.0001665500000000, 0.0000485800000000 ] - [ -0.0001004100000000, -0.0000376100000000, 0.0001512200000000 ] - [ 0.0000219600000000, -0.0000482300000000, 0.0000217500000000 ] - [ -0.0003751000000000, 0.0000071200000000, 0.0001690300000000 ] - [ 0.0000386500000000, 0.0000336000000000, -0.0001673000000000 ] - [ -0.0001500100000000, 0.0000800400000000, 0.0000458100000000 ] - [ -0.0011618700000000, -0.0008240300000000, 0.0006640800000000 ] - [ 0.0001469000000000, 0.0015149100000000, -0.0018897500000000 ] - [ -0.0003059600000000, 0.0009811500000000, -0.0001036100000000 ] - [ 0.0022466400000000, -0.0099245500000000, 0.0000284800000000 ] - [ 0.0001684900000000, 0.0000929400000000, -0.0004494200000000 ]- atom: 5 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ -0.0000750200000000, -0.0002790500000000, 0.0006144900000000 ] - [ 0.0000976700000000, 0.0000720300000000, -0.0001511600000000 ] - [ -0.0001087600000000, 0.0000538500000000, -0.0000136600000000 ] - [ -0.0001259500000000, -0.0000847700000000, 0.0000459800000000 ] - [ 0.0101492300000000, 0.0207226700000000, -0.0868911600000000 ] - [ 0.0000751400000000, 0.0002735400000000, 0.0003850500000000 ] - [ 0.0000632300000000, -0.0009670600000000, 0.0006204800000000 ] - [ 0.0000250600000000, 0.0000794500000000, 0.0001148400000000 ] - [ 0.0022809600000000, 0.0006942600000000, 0.0022670000000000 ] - [ 0.0001903900000000, 0.0000645400000000, -0.0000224700000000 ] - [ 0.0024961500000000, -0.0048277500000000, -0.0005748800000000 ] - [ 0.0000159500000000, 0.0000969400000000, 0.0002602800000000 ] - [ -0.0000885800000000, -0.0001011800000000, 0.0001851900000000 ] - [ 0.0000890500000000, 0.0000592600000000, 0.0002199700000000 ] - [ 0.0009636200000000, 0.0002700100000000, 0.0005211100000000 ] - [ -0.0000490700000000, 0.0001241200000000, 0.0002317900000000 ] - [ 0.0000363400000000, -0.0002437900000000, 0.0000254600000000 ] - [ 0.0000134400000000, 0.0002042300000000, 0.0001738900000000 ] - [ -0.0006917900000000, 0.0001059800000000, 0.0005890400000000 ] - [ 0.0001279500000000, 0.0000203500000000, 0.0002253400000000 ] - [ -0.0000702200000000, 0.0000301800000000, 0.0000227300000000 ] - [ -0.0000912700000000, -0.0000133800000000, 0.0001697500000000 ] - [ -0.0001006300000000, -0.0003003600000000, 0.0000135900000000 ] - [ -0.0002395200000000, 0.0002766900000000, 0.0000677300000000 ] - [ -0.0000413700000000, -0.0000046000000000, -0.0002620400000000 ] - [ -0.0000024900000000, 0.0000961800000000, -0.0000809900000000 ] - [ -0.0000883500000000, -0.0001106200000000, -0.0000564500000000 ] - [ -0.0000723300000000, 0.0001356300000000, 0.0001533800000000 ] - [ 0.0000363600000000, 0.0000311900000000, -0.0002455300000000 ] - [ 0.0000687600000000, -0.0000430300000000, -0.0001058600000000 ] - [ -0.0000093800000000, -0.0001354900000000, -0.0000886800000000 ] - [ -0.0000881200000000, -0.0000136300000000, 0.0002250500000000 ] - [ -0.0001055700000000, 0.0002305500000000, -0.0001162100000000 ] - [ -0.0000512100000000, -0.0001676500000000, -0.0000172000000000 ] - [ 0.0000543400000000, 0.0001700200000000, 0.0000520100000000 ] - [ 0.0000261300000000, -0.0001645600000000, 0.0000722200000000 ] - [ 0.0000126300000000, 0.0000104800000000, -0.0001625700000000 ] - [ -0.0001230700000000, 0.0000699000000000, -0.0000008600000000 ] - [ 0.0002559400000000, 0.0000713300000000, 0.0000832400000000 ] - [ -0.0001508100000000, 0.0001030900000000, -0.0000677800000000 ] - [ 0.0000580800000000, -0.0001508400000000, -0.0000618300000000 ] - [ -0.0000999900000000, -0.0000340400000000, -0.0000719000000000 ] - [ -0.0016908500000000, -0.0004881400000000, -0.0004805800000000 ] - [ 0.0003842300000000, 0.0000506400000000, 0.0002108200000000 ] - [ -0.0038549200000000, 0.0041529300000000, 0.0053093000000000 ] - [ 0.0003993600000000, -0.0019988400000000, 0.0012255900000000 ] - [ -0.0000467400000000, 0.0001077800000000, -0.0001171800000000 ] - [ 0.0000647500000000, -0.0002289300000000, -0.0000549300000000 ] - [ 0.0000038900000000, 0.0009389500000000, -0.0010203000000000 ] - [ 0.0001767000000000, -0.0000114000000000, 0.0001481600000000 ] - [ -0.0000428300000000, 0.0012688900000000, 0.0000962600000000 ] - [ 0.0002141500000000, -0.0001868200000000, 0.0002124000000000 ] - [ -0.0002102700000000, -0.0000804200000000, 0.0000274100000000 ] - [ 0.0000292600000000, 0.0000865700000000, 0.0002629800000000 ] - [ -0.0000202500000000, -0.0000392100000000, 0.0000813900000000 ] - [ -0.0001637700000000, 0.0000319100000000, -0.0001431900000000 ] - [ -0.0000085000000000, 0.0000589300000000, 0.0002916700000000 ] - [ -0.0000712900000000, 0.0007108700000000, -0.0005502900000000 ] - [ 0.0000601600000000, 0.0000959800000000, -0.0000152400000000 ] - [ -0.0001707600000000, -0.0003634100000000, 0.0005985500000000 ] - [ -0.0005071900000000, 0.0000071500000000, 0.0001650200000000 ] - [ 0.0005362400000000, 0.0000017700000000, -0.0005019800000000 ] - [ -0.0001082200000000, -0.0001203400000000, 0.0000204300000000 ] - [ 0.0001056800000000, 0.0002387100000000, -0.0002484200000000 ] - [ -0.0004663500000000, -0.0002256800000000, -0.0001710600000000 ] - [ -0.0003494700000000, 0.0011363700000000, -0.0019467100000000 ] - [ 0.0027964100000000, -0.0214663300000000, 0.0264912400000000 ] - [ -0.0000229500000000, -0.0001435000000000, -0.0004849500000000 ] - [ 0.0003407700000000, 0.0004846000000000, -0.0006127300000000 ] - [ 0.0002096300000000, -0.0005793900000000, 0.0014762500000000 ] - [ 0.0004064100000000, -0.0003403200000000, -0.0003423200000000 ] - [ -0.0001283100000000, 0.0000649600000000, -0.0000741300000000 ] - [ 0.0000954300000000, 0.0000409800000000, 0.0002690600000000 ] - [ 0.0000551000000000, 0.0000943300000000, -0.0003323200000000 ] - [ 0.0006302200000000, 0.0003052000000000, -0.0001645000000000 ] - [ 0.0001782300000000, -0.0001703200000000, -0.0000916300000000 ] - [ -0.0001901400000000, -0.0000254800000000, 0.0001372000000000 ] - [ -0.0000813000000000, 0.0001013800000000, -0.0000281700000000 ] - [ -0.0002853900000000, -0.0001171300000000, 0.0004338700000000 ] - [ 0.0000758600000000, -0.0001058500000000, -0.0001473300000000 ] - [ -0.0000080900000000, -0.0001211900000000, 0.0001365500000000 ] - [ 0.0000712200000000, 0.0001763600000000, -0.0005390400000000 ] - [ -0.0002242000000000, 0.0000394900000000, -0.0000661600000000 ] - [ -0.0003291900000000, -0.0012490300000000, 0.0023096200000000 ] - [ 0.0002649600000000, -0.0005208100000000, -0.0010194600000000 ] - [ -0.0004429400000000, 0.0011315500000000, 0.0004687400000000 ] - [ -0.0124163600000000, 0.0005584100000000, 0.0514061700000000 ] - [ 0.0000786700000000, 0.0002731800000000, -0.0009744500000000 ]- atom: 5 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0002195800000000, 0.0002815100000000, -0.0007644300000000 ] - [ 0.0000432900000000, -0.0000516700000000, 0.0000149400000000 ] - [ -0.0001492300000000, 0.0001180900000000, 0.0000832100000000 ] - [ -0.0001325100000000, -0.0000873700000000, 0.0000237200000000 ] - [ -0.0107988300000000, -0.0211079300000000, 0.0894054500000000 ] - [ 0.0000461200000000, 0.0000635900000000, -0.0004091300000000 ] - [ -0.0002395400000000, 0.0008020400000000, -0.0006101600000000 ] - [ -0.0002041700000000, 0.0000902000000000, -0.0000944200000000 ] - [ -0.0021758000000000, -0.0012973100000000, -0.0024207700000000 ] - [ -0.0000504400000000, 0.0005067000000000, -0.0000983400000000 ] - [ -0.0024670000000000, 0.0045750900000000, 0.0008459600000000 ] - [ 0.0000332000000000, 0.0001731200000000, -0.0000100600000000 ] - [ -0.0000214700000000, -0.0000701000000000, 0.0001174800000000 ] - [ -0.0001969100000000, 0.0001098300000000, 0.0000864600000000 ] - [ -0.0008736500000000, -0.0006435200000000, -0.0003348300000000 ] - [ 0.0001211000000000, 0.0002344300000000, -0.0000597900000000 ] - [ -0.0000619300000000, -0.0001621100000000, 0.0001118000000000 ] - [ -0.0000393600000000, 0.0002014300000000, -0.0000351600000000 ] - [ 0.0008167800000000, -0.0001103300000000, -0.0000999700000000 ] - [ 0.0000047000000000, -0.0000151800000000, 0.0002603200000000 ] - [ -0.0000993900000000, -0.0000034200000000, 0.0001233600000000 ] - [ -0.0000789600000000, -0.0000118500000000, -0.0000230700000000 ] - [ -0.0002961100000000, -0.0001052500000000, 0.0000234200000000 ] - [ -0.0001576300000000, 0.0001295100000000, -0.0000302700000000 ] - [ 0.0000113600000000, -0.0001533100000000, -0.0000100600000000 ] - [ -0.0000274200000000, 0.0000634500000000, -0.0001875200000000 ] - [ -0.0000771600000000, -0.0001183300000000, 0.0001200800000000 ] - [ -0.0000929000000000, 0.0000936400000000, -0.0000879000000000 ] - [ 0.0000917700000000, 0.0000578600000000, -0.0000684500000000 ] - [ 0.0000611500000000, -0.0000471400000000, -0.0002051900000000 ] - [ -0.0000533800000000, -0.0000344100000000, 0.0001256400000000 ] - [ 0.0000258400000000, 0.0001828200000000, -0.0001862900000000 ] - [ 0.0000974100000000, -0.0000144000000000, -0.0000061400000000 ] - [ 0.0000416400000000, -0.0000484000000000, -0.0001052100000000 ] - [ 0.0000402400000000, 0.0000973000000000, 0.0000756000000000 ] - [ 0.0000685800000000, -0.0001031100000000, 0.0000564100000000 ] - [ -0.0000828700000000, -0.0000186800000000, -0.0000614000000000 ] - [ 0.0000528400000000, -0.0000614200000000, -0.0002221200000000 ] - [ -0.0003896300000000, -0.0001318800000000, -0.0001481900000000 ] - [ 0.0000145600000000, -0.0000418900000000, 0.0000019800000000 ] - [ -0.0001331900000000, 0.0000736800000000, 0.0000276800000000 ] - [ 0.0000213700000000, 0.0001095100000000, 0.0000438400000000 ] - [ 0.0022066700000000, 0.0004154300000000, 0.0005043100000000 ] - [ 0.0001230900000000, 0.0000196200000000, -0.0002034300000000 ] - [ 0.0039105200000000, -0.0041088200000000, -0.0055529100000000 ] - [ -0.0003814900000000, 0.0018698500000000, -0.0013647600000000 ] - [ 0.0001356200000000, 0.0003051100000000, -0.0000080200000000 ] - [ 0.0000248700000000, -0.0001885100000000, -0.0000738400000000 ] - [ 0.0002649200000000, -0.0011832500000000, 0.0009497800000000 ] - [ 0.0001092000000000, 0.0002143200000000, -0.0002214300000000 ] - [ 0.0003554200000000, -0.0012816600000000, 0.0000700200000000 ] - [ 0.0001012000000000, 0.0002063400000000, -0.0000471600000000 ] - [ -0.0000649600000000, 0.0000111700000000, 0.0001956000000000 ] - [ -0.0003007700000000, -0.0000160600000000, -0.0000375400000000 ] - [ -0.0000919100000000, -0.0000654000000000, -0.0000686900000000 ] - [ 0.0000481100000000, 0.0000724000000000, 0.0001526200000000 ] - [ 0.0001470500000000, -0.0001240500000000, -0.0003074100000000 ] - [ 0.0002117700000000, -0.0006536400000000, 0.0005404100000000 ] - [ -0.0001637300000000, 0.0002070000000000, 0.0002467900000000 ] - [ 0.0000668400000000, 0.0000578800000000, -0.0003646000000000 ] - [ 0.0006754600000000, -0.0003188700000000, -0.0003727600000000 ] - [ -0.0003721900000000, 0.0003104900000000, 0.0002893000000000 ] - [ 0.0000699400000000, -0.0000763600000000, -0.0001630900000000 ] - [ -0.0001453800000000, -0.0000359800000000, 0.0001009000000000 ] - [ 0.0001250700000000, 0.0004389200000000, -0.0002072800000000 ] - [ 0.0000224100000000, -0.0013629400000000, 0.0015725000000000 ] - [ -0.0030773200000000, 0.0221203300000000, -0.0267427900000000 ] - [ -0.0001653000000000, -0.0000138600000000, 0.0004496100000000 ] - [ -0.0002662100000000, -0.0003379000000000, 0.0004890000000000 ] - [ -0.0001666600000000, 0.0004385900000000, -0.0016503800000000 ] - [ -0.0003706300000000, 0.0003734400000000, 0.0002738200000000 ] - [ 0.0001565000000000, -0.0001010700000000, 0.0000060500000000 ] - [ 0.0001010800000000, -0.0000712500000000, -0.0002349300000000 ] - [ 0.0001418700000000, -0.0000640700000000, 0.0003587800000000 ] - [ -0.0003071400000000, -0.0002411200000000, -0.0000270800000000 ] - [ 0.0001393600000000, 0.0001064200000000, -0.0001022300000000 ] - [ -0.0000019500000000, -0.0002289400000000, -0.0000332600000000 ] - [ -0.0001128800000000, 0.0001543900000000, 0.0001298700000000 ] - [ 0.0002937900000000, 0.0002760500000000, -0.0003628400000000 ] - [ -0.0000628700000000, -0.0000544300000000, 0.0002098800000000 ] - [ 0.0001706700000000, 0.0000218800000000, -0.0002404300000000 ] - [ 0.0000874400000000, -0.0000786400000000, 0.0004335400000000 ] - [ 0.0000182600000000, 0.0000262800000000, 0.0001167700000000 ] - [ 0.0001306000000000, 0.0012075300000000, -0.0022755300000000 ] - [ -0.0003215600000000, 0.0003344900000000, 0.0010848500000000 ] - [ 0.0003829000000000, -0.0009293700000000, -0.0003805300000000 ] - [ 0.0132903700000000, -0.0009451100000000, -0.0535080300000000 ] - [ -0.0000501700000000, -0.0002314200000000, 0.0011080200000000 ]- atom: 7 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000712200000000, 0.0000356000000000, -0.0000857400000000 ] - [ -0.0003641500000000, -0.0001592200000000, 0.0001809300000000 ] - [ -0.0001793200000000, 0.0001121600000000, 0.0000581300000000 ] - [ -0.0001335900000000, -0.0001204000000000, 0.0000039200000000 ] - [ 0.0001089400000000, 0.0001642600000000, 0.0001426600000000 ] - [ -0.0000088900000000, 0.0002202000000000, 0.0001018000000000 ] - [ -0.0662633600000000, 0.0175102400000000, -0.0074381000000000 ] - [ -0.0001287100000000, 0.0000650800000000, 0.0000182700000000 ] - [ -0.0000744000000000, -0.0004625600000000, 0.0000012500000000 ] - [ -0.0002548800000000, -0.0004640700000000, -0.0019723600000000 ] - [ 0.0000389300000000, -0.0002575000000000, 0.0000846900000000 ] - [ -0.0001480100000000, 0.0000280400000000, 0.0001306100000000 ] - [ 0.0005048800000000, 0.0026195800000000, -0.0014229500000000 ] - [ -0.0000724700000000, 0.0000486900000000, 0.0001540300000000 ] - [ -0.0000353900000000, -0.0002137200000000, 0.0001127900000000 ] - [ -0.0006039900000000, 0.0013148000000000, -0.0017086400000000 ] - [ 0.0010247400000000, 0.0005085500000000, 0.0010959700000000 ] - [ -0.0000215200000000, 0.0001923500000000, 0.0000519800000000 ] - [ 0.0001275000000000, -0.0000975700000000, 0.0001845300000000 ] - [ 0.0000967100000000, -0.0000084600000000, 0.0002472800000000 ] - [ -0.0000260500000000, 0.0000982000000000, 0.0001757400000000 ] - [ -0.0000416900000000, -0.0001172000000000, 0.0000338500000000 ] - [ -0.0001412600000000, -0.0001751500000000, 0.0000326800000000 ] - [ -0.0001513300000000, 0.0002071800000000, -0.0000030100000000 ] - [ 0.0000039400000000, -0.0000928500000000, -0.0001298300000000 ] - [ 0.0000418100000000, 0.0001378400000000, -0.0000439900000000 ] - [ -0.0000068800000000, -0.0000551800000000, 0.0000641300000000 ] - [ -0.0000659800000000, 0.0000936600000000, 0.0000152000000000 ] - [ 0.0001198600000000, 0.0000170900000000, -0.0001520900000000 ] - [ 0.0001046200000000, -0.0000475200000000, -0.0001247700000000 ] - [ 0.0002031800000000, -0.0001364500000000, 0.0000567400000000 ] - [ 0.0000130400000000, 0.0001041300000000, 0.0000000100000000 ] - [ 0.0001038700000000, 0.0001051200000000, -0.0000903000000000 ] - [ 0.0002531800000000, -0.0001221500000000, -0.0000796800000000 ] - [ 0.0001469800000000, 0.0000172400000000, 0.0001115100000000 ] - [ 0.0000947600000000, -0.0001115200000000, 0.0000964000000000 ] - [ 0.0001166400000000, 0.0000438300000000, -0.0002202400000000 ] - [ 0.0000270900000000, -0.0000322200000000, -0.0001460200000000 ] - [ 0.0000301200000000, 0.0000018900000000, 0.0000011500000000 ] - [ 0.0000400600000000, 0.0000075000000000, -0.0000210800000000 ] - [ 0.0050502900000000, -0.0021909900000000, 0.0006743200000000 ] - [ -0.0000260300000000, 0.0000350500000000, -0.0000175600000000 ] - [ 0.0002036200000000, 0.0000108900000000, -0.0000181800000000 ] - [ 0.0001911700000000, 0.0000731400000000, 0.0000847600000000 ] - [ -0.0000669000000000, 0.0001094400000000, -0.0000565800000000 ] - [ 0.0034482000000000, 0.0018021400000000, 0.0024589300000000 ] - [ 0.0000265100000000, 0.0001515500000000, -0.0000611500000000 ] - [ -0.0001230100000000, -0.0002000200000000, -0.0000989000000000 ] - [ 0.0000883100000000, -0.0002866000000000, -0.0001434700000000 ] - [ 0.0002924800000000, -0.0000311100000000, 0.0002093700000000 ] - [ 0.0000940200000000, -0.0000904200000000, 0.0000455600000000 ] - [ 0.0000731500000000, 0.0000006300000000, 0.0001727400000000 ] - [ 0.0047388800000000, -0.0002870500000000, -0.0015752000000000 ] - [ -0.0001493200000000, 0.0000317100000000, 0.0001053600000000 ] - [ 0.0000938900000000, -0.0001200300000000, 0.0000853800000000 ] - [ -0.0000166000000000, 0.0000444900000000, 0.0000057300000000 ] - [ 0.0001053800000000, 0.0000164000000000, 0.0000029700000000 ] - [ 0.0038601700000000, 0.0001032300000000, -0.0024518300000000 ] - [ 0.0008379300000000, -0.0028090900000000, -0.0007557900000000 ] - [ -0.0000587100000000, -0.0001563300000000, 0.0001257100000000 ] - [ -0.0001941900000000, -0.0003015500000000, 0.0000120500000000 ] - [ 0.0000104100000000, 0.0001115900000000, -0.0001520700000000 ] - [ -0.0001936600000000, 0.0001803700000000, 0.0000132200000000 ] - [ -0.0000761100000000, 0.0001695400000000, -0.0000981500000000 ] - [ 0.0003585800000000, 0.0001598900000000, 0.0010602900000000 ] - [ -0.0001640700000000, -0.0000337800000000, -0.0001395900000000 ] - [ -0.0000333800000000, 0.0003721500000000, -0.0000603500000000 ] - [ -0.0004019500000000, 0.0004778900000000, -0.0016400600000000 ] - [ 0.0105612700000000, -0.0000371500000000, -0.0045307100000000 ] - [ 0.0000620500000000, 0.0000891700000000, -0.0001438400000000 ] - [ 0.0001111800000000, 0.0000791000000000, -0.0000366300000000 ] - [ -0.0000303900000000, -0.0001563200000000, -0.0004739200000000 ] - [ -0.0006369900000000, -0.0001724400000000, -0.0005106200000000 ] - [ 0.0000748600000000, 0.0000582300000000, 0.0000580800000000 ] - [ -0.0001983000000000, 0.0007946300000000, 0.0001117200000000 ] - [ 0.0000934000000000, -0.0000637700000000, -0.0001718900000000 ] - [ -0.0001854900000000, -0.0001022400000000, 0.0000820000000000 ] - [ -0.0002149800000000, 0.0002011200000000, 0.0000503300000000 ] - [ -0.0001009600000000, 0.0001354500000000, 0.0000089500000000 ] - [ -0.0000413900000000, -0.0001190500000000, -0.0000086900000000 ] - [ -0.0005085200000000, 0.0001876200000000, 0.0001439600000000 ] - [ -0.0000368500000000, -0.0000490700000000, -0.0000841100000000 ] - [ -0.0005818400000000, -0.0005241700000000, 0.0010167500000000 ] - [ -0.0001548400000000, 0.0000048100000000, 0.0001395500000000 ] - [ 0.0000248800000000, -0.0001632100000000, -0.0000013000000000 ] - [ 0.0384796600000000, -0.0181869900000000, 0.0161071200000000 ] - [ 0.0004497800000000, -0.0001627000000000, -0.0001080600000000 ] - [ 0.0003142200000000, -0.0001355900000000, 0.0010463100000000 ]- atom: 7 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000697100000000, -0.0000545300000000, -0.0000512400000000 ] - [ 0.0004917800000000, 0.0001798700000000, -0.0003186600000000 ] - [ -0.0000781500000000, 0.0000602100000000, 0.0000112200000000 ] - [ -0.0001241600000000, -0.0000523100000000, 0.0000652600000000 ] - [ 0.0000103700000000, -0.0005091800000000, -0.0001597200000000 ] - [ 0.0001304000000000, 0.0001180700000000, -0.0001266700000000 ] - [ 0.0643254500000000, -0.0166441900000000, 0.0065593300000000 ] - [ -0.0000494200000000, 0.0001018200000000, -0.0000061900000000 ] - [ 0.0002131400000000, -0.0001183100000000, -0.0001185500000000 ] - [ 0.0003955000000000, 0.0010335000000000, 0.0018229500000000 ] - [ 0.0000118200000000, -0.0000150700000000, 0.0001638300000000 ] - [ 0.0001979300000000, 0.0002413100000000, 0.0001199100000000 ] - [ -0.0006189200000000, -0.0028110900000000, 0.0017363200000000 ] - [ -0.0000355600000000, 0.0001230000000000, 0.0001488000000000 ] - [ 0.0001096600000000, -0.0001452900000000, 0.0000589500000000 ] - [ 0.0006944000000000, -0.0009459500000000, 0.0018352700000000 ] - [ -0.0010563700000000, -0.0009286600000000, -0.0009734800000000 ] - [ -0.0000023200000000, 0.0002136600000000, 0.0000858400000000 ] - [ 0.0000074800000000, 0.0000925600000000, 0.0003000200000000 ] - [ 0.0000374600000000, 0.0000136900000000, 0.0002372000000000 ] - [ -0.0001427300000000, -0.0000726600000000, -0.0000300400000000 ] - [ -0.0001274500000000, 0.0000921300000000, 0.0001127200000000 ] - [ -0.0002548700000000, -0.0002301600000000, 0.0000040700000000 ] - [ -0.0002446900000000, 0.0001983400000000, 0.0000400000000000 ] - [ -0.0000334000000000, -0.0000660900000000, -0.0001407100000000 ] - [ -0.0000709600000000, 0.0000217100000000, -0.0002259500000000 ] - [ -0.0001578100000000, -0.0001741800000000, -0.0000012300000000 ] - [ -0.0000986800000000, 0.0001357900000000, 0.0000494500000000 ] - [ 0.0000090300000000, 0.0000727800000000, -0.0001603500000000 ] - [ 0.0000253500000000, -0.0000423500000000, -0.0001868400000000 ] - [ -0.0002645900000000, -0.0000344100000000, -0.0000225000000000 ] - [ -0.0000753400000000, 0.0000654100000000, 0.0000374500000000 ] - [ -0.0001117400000000, 0.0001110400000000, -0.0000333800000000 ] - [ -0.0002618700000000, -0.0000891700000000, -0.0000416500000000 ] - [ -0.0000512500000000, 0.0002489300000000, 0.0000167900000000 ] - [ 0.0000007600000000, -0.0001556200000000, 0.0000320900000000 ] - [ -0.0001864700000000, -0.0000518900000000, -0.0000040400000000 ] - [ -0.0000970700000000, 0.0000402000000000, -0.0000775800000000 ] - [ -0.0001660800000000, -0.0000631900000000, -0.0000670800000000 ] - [ -0.0001764300000000, 0.0000543200000000, -0.0000463300000000 ] - [ -0.0050902900000000, 0.0020993100000000, -0.0006869600000000 ] - [ -0.0000512100000000, 0.0000413100000000, -0.0000151100000000 ] - [ 0.0003010100000000, -0.0000817000000000, 0.0000235300000000 ] - [ 0.0003129300000000, -0.0000022200000000, -0.0000797100000000 ] - [ 0.0000719000000000, -0.0000112600000000, -0.0000978600000000 ] - [ -0.0033621000000000, -0.0018562500000000, -0.0025668400000000 ] - [ 0.0000623100000000, 0.0002632000000000, -0.0000668600000000 ] - [ 0.0002114200000000, -0.0002163400000000, -0.0000303900000000 ] - [ 0.0001963700000000, 0.0000814900000000, 0.0000678100000000 ] - [ -0.0000077200000000, 0.0002366900000000, -0.0002870100000000 ] - [ 0.0002229900000000, 0.0000667300000000, 0.0001144400000000 ] - [ 0.0002424600000000, 0.0000227400000000, -0.0000119800000000 ] - [ -0.0051353800000000, 0.0002250100000000, 0.0018447600000000 ] - [ -0.0001244200000000, 0.0000376600000000, 0.0001188300000000 ] - [ -0.0002060300000000, 0.0000149500000000, -0.0000731700000000 ] - [ -0.0000970300000000, 0.0000602300000000, 0.0000048900000000 ] - [ 0.0000335000000000, -0.0000824600000000, -0.0000186100000000 ] - [ -0.0036361300000000, -0.0000350300000000, 0.0023724900000000 ] - [ -0.0009432000000000, 0.0030960200000000, 0.0009733400000000 ] - [ -0.0000448000000000, -0.0001490000000000, 0.0001088800000000 ] - [ 0.0003643000000000, -0.0000108600000000, -0.0002218400000000 ] - [ 0.0001596200000000, 0.0001992500000000, -0.0000619700000000 ] - [ 0.0001557700000000, -0.0003789900000000, -0.0001572300000000 ] - [ 0.0000377000000000, 0.0000336800000000, -0.0000483400000000 ] - [ -0.0007060300000000, 0.0000763200000000, -0.0014395800000000 ] - [ -0.0001749000000000, -0.0001793500000000, -0.0002411000000000 ] - [ -0.0001601200000000, -0.0002060600000000, 0.0000283700000000 ] - [ 0.0002220100000000, -0.0006472100000000, 0.0016175200000000 ] - [ -0.0105247600000000, 0.0001445200000000, 0.0045745300000000 ] - [ 0.0000049800000000, -0.0002334000000000, 0.0000181700000000 ] - [ -0.0000817200000000, -0.0000410900000000, -0.0000299700000000 ] - [ 0.0000594100000000, 0.0001172600000000, 0.0004029400000000 ] - [ 0.0008286300000000, 0.0001457800000000, 0.0005506700000000 ] - [ 0.0001231000000000, -0.0000284900000000, -0.0000279900000000 ] - [ 0.0005168100000000, -0.0007477300000000, -0.0003060100000000 ] - [ 0.0002248700000000, 0.0000040300000000, -0.0000224600000000 ] - [ -0.0000053300000000, -0.0001547500000000, 0.0000222600000000 ] - [ 0.0000216200000000, 0.0000575100000000, 0.0000517900000000 ] - [ 0.0001122000000000, 0.0000259900000000, 0.0000567900000000 ] - [ 0.0000542400000000, -0.0000426200000000, 0.0000699700000000 ] - [ 0.0006661500000000, -0.0002825900000000, -0.0002449900000000 ] - [ 0.0001969400000000, 0.0001440300000000, -0.0000199100000000 ] - [ 0.0003950800000000, 0.0005678800000000, -0.0009353300000000 ] - [ -0.0000458100000000, -0.0000699000000000, -0.0000851600000000 ] - [ -0.0000847700000000, -0.0000329000000000, 0.0000777000000000 ] - [ -0.0368612000000000, 0.0174147600000000, -0.0153052000000000 ] - [ -0.0004164300000000, 0.0001281800000000, 0.0002421800000000 ] - [ -0.0002828700000000, 0.0001716300000000, -0.0009055400000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000700200000000, -0.0000630200000000, -0.0000414700000000 ] - [ -0.0002151800000000, -0.0004145000000000, -0.0008609300000000 ] - [ -0.0001138100000000, 0.0000551800000000, 0.0000275200000000 ] - [ -0.0000799500000000, -0.0000687800000000, 0.0000639300000000 ] - [ 0.0007244900000000, 0.0021704100000000, -0.0009086700000000 ] - [ 0.0001156400000000, -0.0000071500000000, -0.0000061000000000 ] - [ 0.0167940100000000, -0.0375947300000000, 0.0294075500000000 ] - [ -0.0000701000000000, 0.0001110100000000, -0.0000371600000000 ] - [ 0.0001619000000000, 0.0001368500000000, -0.0003799700000000 ] - [ 0.0005137800000000, -0.0001357300000000, 0.0034552900000000 ] - [ -0.0000579500000000, 0.0000888000000000, 0.0001463100000000 ] - [ -0.0000307100000000, 0.0002139800000000, 0.0000644400000000 ] - [ -0.0002496900000000, 0.0022635500000000, -0.0010118100000000 ] - [ -0.0000802600000000, 0.0001606000000000, 0.0001214200000000 ] - [ 0.0000397300000000, -0.0001332100000000, 0.0000653900000000 ] - [ 0.0025760700000000, 0.0008041100000000, -0.0021321800000000 ] - [ 0.0002172500000000, 0.0002657500000000, 0.0003480300000000 ] - [ -0.0000145600000000, 0.0002223300000000, 0.0000664500000000 ] - [ 0.0000126900000000, 0.0000492200000000, 0.0003026100000000 ] - [ 0.0001123700000000, 0.0000060200000000, 0.0001764400000000 ] - [ -0.0001451600000000, -0.0000773800000000, 0.0000149300000000 ] - [ -0.0000921500000000, 0.0000200200000000, 0.0000864800000000 ] - [ -0.0002182400000000, -0.0002174100000000, -0.0000010800000000 ] - [ -0.0001394400000000, 0.0003389200000000, 0.0000196700000000 ] - [ -0.0000078400000000, -0.0000535200000000, -0.0001385700000000 ] - [ 0.0000496000000000, 0.0000129400000000, -0.0003084800000000 ] - [ -0.0001244800000000, -0.0001766700000000, 0.0001013200000000 ] - [ -0.0000921700000000, 0.0001383800000000, 0.0000186700000000 ] - [ 0.0000591500000000, 0.0000764100000000, -0.0001251800000000 ] - [ 0.0000447900000000, -0.0000385100000000, -0.0002238600000000 ] - [ -0.0000267000000000, -0.0000918500000000, 0.0000527100000000 ] - [ -0.0000426100000000, 0.0000883300000000, 0.0000150300000000 ] - [ 0.0000239500000000, 0.0000747200000000, -0.0000891600000000 ] - [ -0.0000035900000000, -0.0000582600000000, -0.0000283100000000 ] - [ -0.0000139100000000, 0.0002296800000000, 0.0000396700000000 ] - [ 0.0000263400000000, -0.0001489200000000, 0.0000300300000000 ] - [ -0.0001546800000000, -0.0001327300000000, 0.0000140700000000 ] - [ -0.0000481200000000, 0.0000413500000000, -0.0000994200000000 ] - [ -0.0000531300000000, -0.0000032900000000, -0.0000185800000000 ] - [ -0.0000878700000000, 0.0000146500000000, -0.0000922900000000 ] - [ -0.0030493900000000, 0.0014899000000000, 0.0006063200000000 ] - [ -0.0000327500000000, 0.0000620600000000, -0.0000280300000000 ] - [ 0.0002946000000000, 0.0000260800000000, -0.0000139300000000 ] - [ 0.0002389100000000, -0.0001219100000000, 0.0000328900000000 ] - [ 0.0000603100000000, 0.0000174700000000, -0.0001441600000000 ] - [ 0.0016538200000000, -0.0007853700000000, 0.0014806900000000 ] - [ 0.0000717900000000, 0.0003104500000000, -0.0000731500000000 ] - [ 0.0000885600000000, -0.0001614100000000, -0.0001758600000000 ] - [ 0.0002492700000000, 0.0002730400000000, 0.0001512900000000 ] - [ -0.0000264100000000, 0.0003781800000000, -0.0003781500000000 ] - [ 0.0001968200000000, 0.0001565600000000, 0.0001640300000000 ] - [ 0.0002384400000000, 0.0001068900000000, -0.0000782000000000 ] - [ -0.0008455700000000, -0.0001957400000000, 0.0005657000000000 ] - [ -0.0001582600000000, 0.0000333800000000, 0.0000863300000000 ] - [ -0.0001856100000000, 0.0000128000000000, -0.0000640000000000 ] - [ -0.0000685000000000, 0.0000729100000000, 0.0000326900000000 ] - [ 0.0000471400000000, -0.0001087700000000, -0.0000294300000000 ] - [ 0.0006952200000000, -0.0003383700000000, -0.0001111100000000 ] - [ -0.0022104100000000, 0.0045250500000000, 0.0001420300000000 ] - [ -0.0000299500000000, -0.0001351600000000, 0.0000823000000000 ] - [ -0.0000271600000000, -0.0002062700000000, -0.0001057000000000 ] - [ 0.0001062500000000, 0.0002063500000000, -0.0000254200000000 ] - [ 0.0002556900000000, -0.0003689500000000, -0.0001215700000000 ] - [ 0.0000224200000000, 0.0000114200000000, -0.0000170500000000 ] - [ 0.0002021500000000, 0.0018544200000000, -0.0004782700000000 ] - [ -0.0001162000000000, -0.0002550800000000, -0.0002542200000000 ] - [ 0.0000186800000000, -0.0006070300000000, 0.0001425900000000 ] - [ -0.0001062600000000, -0.0011269100000000, 0.0008668800000000 ] - [ 0.0004618900000000, 0.0115081800000000, -0.0184909000000000 ] - [ 0.0001192400000000, -0.0003049500000000, 0.0000338400000000 ] - [ -0.0000375700000000, -0.0002104600000000, -0.0000618400000000 ] - [ 0.0000721700000000, 0.0000848200000000, 0.0003949600000000 ] - [ 0.0005876300000000, 0.0000722000000000, -0.0000067400000000 ] - [ 0.0001249700000000, -0.0000089900000000, 0.0000543200000000 ] - [ 0.0003457300000000, -0.0001353000000000, -0.0001952400000000 ] - [ 0.0001477900000000, 0.0000379600000000, 0.0000466300000000 ] - [ -0.0000097200000000, -0.0001613300000000, -0.0000536200000000 ] - [ -0.0001235000000000, -0.0000056200000000, 0.0000869900000000 ] - [ 0.0000061100000000, -0.0000046300000000, -0.0000019000000000 ] - [ -0.0000526300000000, -0.0000209800000000, 0.0002043800000000 ] - [ -0.0002114000000000, 0.0002290100000000, 0.0000435600000000 ] - [ 0.0000853200000000, 0.0000188900000000, -0.0000881900000000 ] - [ 0.0002513500000000, -0.0009710800000000, 0.0002415500000000 ] - [ -0.0000750300000000, -0.0001377200000000, -0.0001552000000000 ] - [ -0.0000659500000000, -0.0000774700000000, 0.0001071600000000 ] - [ -0.0177933500000000, 0.0149480600000000, -0.0124680900000000 ] - [ -0.0003991000000000, -0.0001490300000000, 0.0006253600000000 ] - [ -0.0003970100000000, 0.0019949100000000, -0.0007072000000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000707200000000, 0.0000425000000000, -0.0000941800000000 ] - [ 0.0003590000000000, 0.0004434500000000, 0.0007429600000000 ] - [ -0.0001441100000000, 0.0001167800000000, 0.0000420200000000 ] - [ -0.0001783100000000, -0.0001034400000000, 0.0000053200000000 ] - [ -0.0005776800000000, -0.0024295300000000, 0.0008580800000000 ] - [ 0.0000056100000000, 0.0003445700000000, -0.0000194800000000 ] - [ -0.0173276900000000, 0.0374179900000000, -0.0297326000000000 ] - [ -0.0001081900000000, 0.0000557500000000, 0.0000472800000000 ] - [ -0.0000219300000000, -0.0007076200000000, 0.0002548500000000 ] - [ -0.0003835300000000, 0.0007131300000000, -0.0035473600000000 ] - [ 0.0001066400000000, -0.0003544300000000, 0.0001031900000000 ] - [ 0.0000816100000000, 0.0000574400000000, 0.0001821200000000 ] - [ 0.0001230100000000, -0.0024789100000000, 0.0013474100000000 ] - [ -0.0000305300000000, 0.0000127900000000, 0.0001799100000000 ] - [ 0.0000320900000000, -0.0002254700000000, 0.0001059300000000 ] - [ -0.0024972200000000, -0.0004518200000000, 0.0022811900000000 ] - [ -0.0002503000000000, -0.0006795800000000, -0.0002203300000000 ] - [ -0.0000107200000000, 0.0001834200000000, 0.0000713100000000 ] - [ 0.0001189600000000, -0.0000540900000000, 0.0001836700000000 ] - [ 0.0000205100000000, -0.0000015400000000, 0.0003084100000000 ] - [ -0.0000254800000000, 0.0001006300000000, 0.0001303600000000 ] - [ -0.0000779100000000, -0.0000462000000000, 0.0000595700000000 ] - [ -0.0001785000000000, -0.0001878000000000, 0.0000380900000000 ] - [ -0.0002570500000000, 0.0000678600000000, 0.0000178000000000 ] - [ -0.0000223400000000, -0.0001055200000000, -0.0001317000000000 ] - [ -0.0000793200000000, 0.0001460600000000, 0.0000385000000000 ] - [ -0.0000404500000000, -0.0000529900000000, -0.0000365400000000 ] - [ -0.0000731700000000, 0.0000909200000000, 0.0000454200000000 ] - [ 0.0000694400000000, 0.0000126600000000, -0.0001870600000000 ] - [ 0.0000843200000000, -0.0000514700000000, -0.0000890000000000 ] - [ -0.0000353400000000, -0.0000785200000000, -0.0000151400000000 ] - [ -0.0000203500000000, 0.0000805600000000, 0.0000225000000000 ] - [ -0.0000331700000000, 0.0001410900000000, -0.0000339600000000 ] - [ -0.0000054300000000, -0.0001582000000000, -0.0000942500000000 ] - [ 0.0001082900000000, 0.0000380500000000, 0.0000885900000000 ] - [ 0.0000684700000000, -0.0001187700000000, 0.0000979200000000 ] - [ 0.0000846200000000, 0.0001244900000000, -0.0002379100000000 ] - [ -0.0000222100000000, -0.0000333500000000, -0.0001243200000000 ] - [ -0.0000834600000000, -0.0000586600000000, -0.0000467500000000 ] - [ -0.0000493000000000, 0.0000464800000000, 0.0000249700000000 ] - [ 0.0029541200000000, -0.0015740400000000, -0.0006462000000000 ] - [ -0.0000427100000000, 0.0000143500000000, -0.0000056500000000 ] - [ 0.0002129900000000, -0.0000978300000000, 0.0000197500000000 ] - [ 0.0002679100000000, 0.0001924200000000, -0.0000278800000000 ] - [ -0.0000526900000000, 0.0000782500000000, -0.0000126600000000 ] - [ -0.0016300700000000, 0.0006875600000000, -0.0016355700000000 ] - [ 0.0000175400000000, 0.0001064300000000, -0.0000555500000000 ] - [ -0.0000028500000000, -0.0002530200000000, 0.0000465100000000 ] - [ 0.0000376600000000, -0.0004770300000000, -0.0002270300000000 ] - [ 0.0003110900000000, -0.0001744900000000, 0.0003010600000000 ] - [ 0.0001196400000000, -0.0001766900000000, -0.0000014100000000 ] - [ 0.0000768300000000, -0.0000830500000000, 0.0002380700000000 ] - [ 0.0005827100000000, 0.0001202800000000, -0.0003460200000000 ] - [ -0.0001174000000000, 0.0000349100000000, 0.0001368400000000 ] - [ 0.0000717900000000, -0.0001180400000000, 0.0000750100000000 ] - [ -0.0000442900000000, 0.0000322600000000, -0.0000212000000000 ] - [ 0.0000919100000000, 0.0000408300000000, 0.0000118100000000 ] - [ -0.0005663600000000, 0.0004005200000000, 0.0000981100000000 ] - [ 0.0021672900000000, -0.0043143000000000, 0.0000760100000000 ] - [ -0.0000736300000000, -0.0001700500000000, 0.0001512400000000 ] - [ 0.0001956300000000, -0.0001043700000000, -0.0001072600000000 ] - [ 0.0000625500000000, 0.0001051700000000, -0.0001875500000000 ] - [ -0.0002957800000000, 0.0001665500000000, -0.0000258700000000 ] - [ -0.0000622300000000, 0.0001896900000000, -0.0001275800000000 ] - [ -0.0005420000000000, -0.0016910400000000, 0.0001142600000000 ] - [ -0.0002200800000000, 0.0000380500000000, -0.0001272900000000 ] - [ -0.0002043700000000, 0.0007543100000000, -0.0001687900000000 ] - [ -0.0000731900000000, 0.0009765600000000, -0.0008913500000000 ] - [ -0.0004233400000000, -0.0112582400000000, 0.0185247500000000 ] - [ -0.0000479300000000, 0.0001553600000000, -0.0001557800000000 ] - [ 0.0000691900000000, 0.0002437900000000, -0.0000065000000000 ] - [ -0.0000439100000000, -0.0001230700000000, -0.0004665400000000 ] - [ -0.0003913500000000, -0.0000970900000000, 0.0000394300000000 ] - [ 0.0000734500000000, 0.0000377000000000, -0.0000222900000000 ] - [ -0.0000234900000000, 0.0001975600000000, 0.0000005000000000 ] - [ 0.0001725200000000, -0.0000955400000000, -0.0002394400000000 ] - [ -0.0001832200000000, -0.0000971500000000, 0.0001576500000000 ] - [ -0.0000709100000000, 0.0002605300000000, 0.0000158900000000 ] - [ 0.0000040100000000, 0.0001649300000000, 0.0000654100000000 ] - [ 0.0000657000000000, -0.0001402000000000, -0.0001410500000000 ] - [ 0.0003686200000000, -0.0003279500000000, -0.0001461900000000 ] - [ 0.0000734000000000, 0.0000779500000000, -0.0000152600000000 ] - [ -0.0004511800000000, 0.0010442600000000, -0.0001776200000000 ] - [ -0.0001301900000000, 0.0000729500000000, 0.0002076500000000 ] - [ 0.0000028700000000, -0.0001161500000000, -0.0000280000000000 ] - [ 0.0180595200000000, -0.0147109700000000, 0.0127023900000000 ] - [ 0.0004175500000000, 0.0001147800000000, -0.0004759500000000 ] - [ 0.0004170500000000, -0.0019663800000000, 0.0008403900000000 ]- atom: 7 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000519700000000, 0.0000512000000000, -0.0001456600000000 ] - [ 0.0006059000000000, -0.0007426900000000, 0.0004889800000000 ] - [ -0.0001328300000000, 0.0000932300000000, 0.0000521900000000 ] - [ -0.0001932700000000, -0.0000541500000000, 0.0000018300000000 ] - [ -0.0000623800000000, -0.0011798600000000, 0.0006048300000000 ] - [ 0.0001987500000000, 0.0002190800000000, 0.0000884500000000 ] - [ -0.0067970200000000, 0.0300019100000000, -0.0798825300000000 ] - [ -0.0000774300000000, 0.0001246800000000, 0.0002268100000000 ] - [ -0.0000009400000000, -0.0010848700000000, 0.0006525300000000 ] - [ 0.0012821000000000, 0.0023657000000000, 0.0041485100000000 ] - [ 0.0000429200000000, -0.0003136500000000, 0.0001339100000000 ] - [ 0.0000418100000000, 0.0000553300000000, 0.0000232600000000 ] - [ -0.0005717000000000, -0.0015838300000000, -0.0006926800000000 ] - [ 0.0000162400000000, -0.0000065500000000, 0.0002290600000000 ] - [ 0.0000441800000000, -0.0002285400000000, 0.0001295500000000 ] - [ -0.0043094700000000, -0.0004936400000000, 0.0062875200000000 ] - [ 0.0013759700000000, 0.0005808500000000, 0.0012372800000000 ] - [ -0.0000328300000000, 0.0001954100000000, 0.0000586700000000 ] - [ 0.0001752400000000, -0.0000774600000000, 0.0001585900000000 ] - [ -0.0000860400000000, -0.0000508200000000, 0.0004267000000000 ] - [ -0.0000466000000000, 0.0001110500000000, 0.0001186200000000 ] - [ -0.0001288100000000, 0.0000534600000000, 0.0000159400000000 ] - [ -0.0001586300000000, -0.0001549000000000, 0.0000638200000000 ] - [ -0.0002469200000000, 0.0000799400000000, 0.0000040500000000 ] - [ -0.0000121000000000, -0.0000784400000000, -0.0001784600000000 ] - [ -0.0001125800000000, 0.0002331600000000, 0.0002505800000000 ] - [ -0.0000380000000000, -0.0000461800000000, -0.0000889900000000 ] - [ -0.0000773800000000, 0.0001168900000000, 0.0000841300000000 ] - [ 0.0000467100000000, 0.0000088300000000, -0.0002427600000000 ] - [ 0.0000902400000000, -0.0000793900000000, 0.0000014200000000 ] - [ -0.0001488100000000, -0.0000882400000000, -0.0001488600000000 ] - [ -0.0000150300000000, 0.0000841200000000, 0.0000501000000000 ] - [ -0.0001085700000000, 0.0001324800000000, 0.0000245700000000 ] - [ 0.0000478400000000, -0.0000600900000000, -0.0000875100000000 ] - [ 0.0000832600000000, 0.0000571300000000, 0.0000487800000000 ] - [ 0.0000683100000000, -0.0001120700000000, 0.0001375000000000 ] - [ -0.0000170500000000, 0.0000479000000000, -0.0001709700000000 ] - [ -0.0000255300000000, -0.0000126500000000, -0.0001116600000000 ] - [ -0.0000855200000000, -0.0000376300000000, -0.0000766800000000 ] - [ -0.0000587100000000, 0.0000579400000000, 0.0000881000000000 ] - [ 0.0039914600000000, -0.0008581100000000, -0.0012866100000000 ] - [ -0.0000689300000000, 0.0000357000000000, 0.0000505600000000 ] - [ 0.0001854600000000, -0.0001172900000000, 0.0000429800000000 ] - [ 0.0003927400000000, 0.0001617500000000, 0.0001752900000000 ] - [ -0.0000693700000000, 0.0000895700000000, 0.0000552200000000 ] - [ 0.0005192100000000, 0.0005709700000000, 0.0005599700000000 ] - [ 0.0000406100000000, 0.0001441400000000, -0.0000118300000000 ] - [ 0.0000611000000000, -0.0003748900000000, -0.0002819100000000 ] - [ 0.0000859000000000, -0.0000752800000000, 0.0000051000000000 ] - [ 0.0004398200000000, -0.0002765300000000, 0.0005992300000000 ] - [ 0.0001314200000000, -0.0002051900000000, -0.0000712600000000 ] - [ 0.0000207100000000, -0.0001538700000000, 0.0004120700000000 ] - [ -0.0011189200000000, 0.0000558500000000, -0.0002317800000000 ] - [ -0.0000947600000000, 0.0000153900000000, 0.0001804500000000 ] - [ 0.0001344000000000, -0.0000965900000000, 0.0001293400000000 ] - [ -0.0000891900000000, 0.0000661600000000, -0.0000457700000000 ] - [ 0.0001401900000000, 0.0001324000000000, 0.0001018900000000 ] - [ -0.0034369000000000, 0.0005250800000000, 0.0014194500000000 ] - [ -0.0015057200000000, 0.0017674100000000, -0.0006176700000000 ] - [ -0.0000861300000000, -0.0001814400000000, 0.0002288400000000 ] - [ 0.0001543000000000, -0.0001274400000000, 0.0001472400000000 ] - [ 0.0000300400000000, 0.0001021300000000, -0.0003121400000000 ] - [ 0.0001732100000000, 0.0001133800000000, 0.0002608400000000 ] - [ -0.0000624100000000, 0.0002362800000000, -0.0002121800000000 ] - [ 0.0005727000000000, -0.0004107400000000, 0.0015342200000000 ] - [ -0.0002826300000000, 0.0000563000000000, -0.0002816100000000 ] - [ -0.0003865500000000, 0.0007017300000000, -0.0001217900000000 ] - [ -0.0002517200000000, 0.0001943700000000, -0.0013572200000000 ] - [ -0.0067048200000000, -0.0189198100000000, 0.0471344300000000 ] - [ -0.0000814600000000, 0.0002633000000000, -0.0003334100000000 ] - [ 0.0000325200000000, 0.0002096400000000, 0.0000721000000000 ] - [ -0.0001152300000000, -0.0001310600000000, -0.0009417700000000 ] - [ -0.0006793600000000, 0.0000889000000000, 0.0003490400000000 ] - [ 0.0001398200000000, -0.0000590500000000, -0.0001562400000000 ] - [ -0.0000096000000000, 0.0000290900000000, 0.0001125600000000 ] - [ 0.0002944100000000, -0.0000949300000000, -0.0003861900000000 ] - [ -0.0001355500000000, -0.0001491700000000, 0.0001983300000000 ] - [ -0.0000734800000000, 0.0002855800000000, 0.0000086600000000 ] - [ 0.0000142000000000, 0.0001428100000000, 0.0001735400000000 ] - [ 0.0001156900000000, -0.0001743700000000, -0.0003418900000000 ] - [ 0.0008796800000000, -0.0005787300000000, -0.0002954300000000 ] - [ 0.0000173800000000, -0.0000081800000000, -0.0000065600000000 ] - [ -0.0010933000000000, 0.0008245600000000, -0.0019077400000000 ] - [ -0.0000192900000000, -0.0000318500000000, 0.0000204800000000 ] - [ -0.0000369000000000, -0.0002003400000000, -0.0002434500000000 ] - [ 0.0159082100000000, -0.0123141000000000, 0.0201924700000000 ] - [ 0.0006172100000000, 0.0004601400000000, -0.0007621300000000 ] - [ 0.0006825100000000, 0.0000816900000000, 0.0020327800000000 ]- atom: 7 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000862500000000, -0.0000728300000000, 0.0000106500000000 ] - [ -0.0004450800000000, 0.0007396900000000, -0.0006164900000000 ] - [ -0.0001239400000000, 0.0000791200000000, 0.0000189900000000 ] - [ -0.0000635200000000, -0.0001172500000000, 0.0000692700000000 ] - [ 0.0001834900000000, 0.0008409200000000, -0.0006253000000000 ] - [ -0.0000750900000000, 0.0001229300000000, -0.0001198200000000 ] - [ 0.0070945300000000, -0.0291442400000000, 0.0777597300000000 ] - [ -0.0000999500000000, 0.0000421500000000, -0.0002182900000000 ] - [ 0.0001379400000000, 0.0005289300000000, -0.0007964000000000 ] - [ -0.0011437200000000, -0.0017384000000000, -0.0041807700000000 ] - [ 0.0000052800000000, 0.0000453000000000, 0.0001159800000000 ] - [ 0.0000063700000000, 0.0002162500000000, 0.0002234100000000 ] - [ 0.0004538700000000, 0.0014107800000000, 0.0009757400000000 ] - [ -0.0001255600000000, 0.0001813100000000, 0.0000714600000000 ] - [ 0.0000275100000000, -0.0001293900000000, 0.0000452400000000 ] - [ 0.0043460100000000, 0.0008472300000000, -0.0060242500000000 ] - [ -0.0014234200000000, -0.0010049000000000, -0.0011143000000000 ] - [ 0.0000111300000000, 0.0002109600000000, 0.0000822000000000 ] - [ -0.0000400500000000, 0.0000700700000000, 0.0003236400000000 ] - [ 0.0002188100000000, 0.0000574600000000, 0.0000566200000000 ] - [ -0.0001214000000000, -0.0000848400000000, 0.0000288600000000 ] - [ -0.0000396200000000, -0.0000802700000000, 0.0001299400000000 ] - [ -0.0002367900000000, -0.0002525700000000, -0.0000266100000000 ] - [ -0.0001475500000000, 0.0003270500000000, 0.0000334400000000 ] - [ -0.0000173600000000, -0.0000798600000000, -0.0000915700000000 ] - [ 0.0000821400000000, -0.0000754200000000, -0.0005223500000000 ] - [ -0.0001275200000000, -0.0001865700000000, 0.0001566000000000 ] - [ -0.0000880200000000, 0.0001152500000000, -0.0000191600000000 ] - [ 0.0000798500000000, 0.0000767300000000, -0.0000693000000000 ] - [ 0.0000361400000000, -0.0000061900000000, -0.0003154900000000 ] - [ 0.0000862300000000, -0.0000790700000000, 0.0001879000000000 ] - [ -0.0000501900000000, 0.0000826300000000, -0.0000141000000000 ] - [ 0.0000960700000000, 0.0000858800000000, -0.0001514900000000 ] - [ -0.0000622300000000, -0.0001580300000000, -0.0000381200000000 ] - [ 0.0000095400000000, 0.0002090000000000, 0.0000785400000000 ] - [ 0.0000238300000000, -0.0001553100000000, -0.0000113500000000 ] - [ -0.0000536700000000, -0.0000575300000000, -0.0000497800000000 ] - [ -0.0000441800000000, 0.0000207100000000, -0.0001103300000000 ] - [ -0.0000522300000000, -0.0000271100000000, 0.0000067900000000 ] - [ -0.0000798000000000, 0.0000063400000000, -0.0001614700000000 ] - [ -0.0040604800000000, 0.0007946600000000, 0.0012316400000000 ] - [ -0.0000085100000000, 0.0000429000000000, -0.0000867900000000 ] - [ 0.0003186300000000, 0.0000477500000000, -0.0000366500000000 ] - [ 0.0001079500000000, -0.0000903200000000, -0.0001713200000000 ] - [ 0.0000788800000000, 0.0000092900000000, -0.0002138400000000 ] - [ -0.0005290400000000, -0.0006756300000000, -0.0007218200000000 ] - [ 0.0000534800000000, 0.0002749700000000, -0.0001189900000000 ] - [ 0.0000326400000000, -0.0000436200000000, 0.0001509400000000 ] - [ 0.0002018700000000, -0.0001243000000000, -0.0000801400000000 ] - [ -0.0001522700000000, 0.0004784800000000, -0.0006734000000000 ] - [ 0.0001835200000000, 0.0001865000000000, 0.0002330900000000 ] - [ 0.0002944900000000, 0.0001754300000000, -0.0002530700000000 ] - [ 0.0008529300000000, -0.0001192900000000, 0.0004464700000000 ] - [ -0.0001790200000000, 0.0000525600000000, 0.0000403400000000 ] - [ -0.0002499200000000, -0.0000091000000000, -0.0001190300000000 ] - [ -0.0000257200000000, 0.0000394600000000, 0.0000592900000000 ] - [ 0.0000000100000000, -0.0002027400000000, -0.0001186400000000 ] - [ 0.0036178800000000, -0.0004585900000000, -0.0014471900000000 ] - [ 0.0013901000000000, -0.0014422600000000, 0.0008637800000000 ] - [ -0.0000158700000000, -0.0001219600000000, 0.0000057300000000 ] - [ 0.0000153200000000, -0.0001854700000000, -0.0003668200000000 ] - [ 0.0001386900000000, 0.0002101000000000, 0.0001009800000000 ] - [ -0.0002087400000000, -0.0003151000000000, -0.0004060800000000 ] - [ 0.0000248600000000, -0.0000330800000000, 0.0000689000000000 ] - [ -0.0009048200000000, 0.0006203500000000, -0.0019139600000000 ] - [ -0.0000600800000000, -0.0002697300000000, -0.0000994800000000 ] - [ 0.0001933300000000, -0.0005425200000000, 0.0000896400000000 ] - [ 0.0000560700000000, -0.0003689600000000, 0.0013379900000000 ] - [ 0.0061051100000000, 0.0181494100000000, -0.0453022300000000 ] - [ 0.0001536600000000, -0.0004163400000000, 0.0002106300000000 ] - [ -0.0000006300000000, -0.0001729700000000, -0.0001395200000000 ] - [ 0.0001484800000000, 0.0000977100000000, 0.0008785600000000 ] - [ 0.0008824600000000, -0.0001197000000000, -0.0003256100000000 ] - [ 0.0000602200000000, 0.0000855000000000, 0.0001900100000000 ] - [ 0.0003310600000000, 0.0000350400000000, -0.0003047300000000 ] - [ 0.0000290700000000, 0.0000343500000000, 0.0001933500000000 ] - [ -0.0000561700000000, -0.0001090900000000, -0.0000947400000000 ] - [ -0.0001208600000000, -0.0000269400000000, 0.0000948400000000 ] - [ -0.0000034900000000, 0.0000215500000000, -0.0001147300000000 ] - [ -0.0001000000000000, 0.0000112600000000, 0.0004045900000000 ] - [ -0.0007296400000000, 0.0004883500000000, 0.0002010700000000 ] - [ 0.0001425200000000, 0.0001051500000000, -0.0000921700000000 ] - [ 0.0008791700000000, -0.0007602000000000, 0.0019490500000000 ] - [ -0.0001823700000000, -0.0000347000000000, 0.0000342200000000 ] - [ -0.0000259600000000, 0.0000048100000000, 0.0003243900000000 ] - [ -0.0157807000000000, 0.0123466500000000, -0.0200769000000000 ] - [ -0.0005975600000000, -0.0005074900000000, 0.0009075100000000 ] - [ -0.0006246200000000, -0.0000290200000000, -0.0018374500000000 ]- atom: 9 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0002245700000000, 0.0003476900000000, 0.0002740500000000 ] - [ 0.0000836700000000, 0.0000063200000000, -0.0000792200000000 ] - [ -0.0001632800000000, 0.0000832000000000, 0.0000445300000000 ] - [ -0.0001785900000000, -0.0001076200000000, 0.0000288300000000 ] - [ -0.0000793000000000, 0.0007981700000000, 0.0022251900000000 ] - [ 0.0000382000000000, 0.0001936900000000, 0.0001086700000000 ] - [ -0.0002349900000000, 0.0000111100000000, -0.0000661000000000 ] - [ -0.0004198600000000, -0.0003792400000000, 0.0012339100000000 ] - [ -0.0625350900000000, -0.0250103100000000, -0.0120716500000000 ] - [ 0.0000389400000000, 0.0002891200000000, -0.0000662300000000 ] - [ -0.0001826900000000, -0.0000809800000000, 0.0002062600000000 ] - [ 0.0000229000000000, 0.0001830900000000, 0.0001238600000000 ] - [ -0.0000919500000000, -0.0000601200000000, 0.0001399200000000 ] - [ -0.0011994200000000, -0.0013017000000000, -0.0001514400000000 ] - [ 0.0005306300000000, -0.0040818100000000, -0.0012683400000000 ] - [ -0.0000088300000000, 0.0001960400000000, 0.0000880900000000 ] - [ 0.0000620700000000, -0.0002229800000000, 0.0001069800000000 ] - [ -0.0000259600000000, 0.0001833700000000, 0.0000830400000000 ] - [ 0.0001148900000000, -0.0000339600000000, 0.0002183600000000 ] - [ 0.0013332100000000, 0.0010700100000000, 0.0005676000000000 ] - [ 0.0019716300000000, 0.0010172400000000, -0.0001437600000000 ] - [ -0.0000487000000000, -0.0000534200000000, 0.0001171800000000 ] - [ -0.0001787100000000, -0.0000912500000000, 0.0000000700000000 ] - [ -0.0001922700000000, 0.0002038800000000, 0.0000152400000000 ] - [ 0.0000532400000000, -0.0000558400000000, -0.0001869900000000 ] - [ 0.0000455600000000, 0.0001506900000000, -0.0000834700000000 ] - [ -0.0000255200000000, -0.0000299100000000, -0.0000508400000000 ] - [ -0.0000586400000000, 0.0000895600000000, 0.0000646500000000 ] - [ 0.0001508100000000, 0.0000519500000000, -0.0000770700000000 ] - [ 0.0001816900000000, -0.0000608200000000, -0.0000819700000000 ] - [ 0.0001929000000000, -0.0001253600000000, -0.0000570400000000 ] - [ 0.0000934600000000, 0.0000827700000000, 0.0000971700000000 ] - [ 0.0002831200000000, -0.0000636600000000, -0.0000111700000000 ] - [ 0.0000289800000000, -0.0001121100000000, -0.0000543200000000 ] - [ 0.0000799900000000, 0.0001323000000000, 0.0000898200000000 ] - [ 0.0001164800000000, -0.0000520400000000, 0.0000881000000000 ] - [ 0.0000766800000000, 0.0000156000000000, -0.0001690200000000 ] - [ 0.0000219700000000, -0.0000021800000000, -0.0001327300000000 ] - [ 0.0000659300000000, -0.0000037200000000, 0.0000661100000000 ] - [ 0.0000277600000000, -0.0000162700000000, -0.0000087700000000 ] - [ -0.0000583500000000, -0.0000483200000000, 0.0000110700000000 ] - [ -0.0001175400000000, 0.0000964100000000, -0.0001142800000000 ] - [ 0.0059404200000000, 0.0011101400000000, 0.0016378300000000 ] - [ 0.0002425100000000, 0.0000101300000000, -0.0000021500000000 ] - [ 0.0040885300000000, 0.0008510600000000, -0.0030115200000000 ] - [ -0.0000649000000000, -0.0001350700000000, -0.0000167400000000 ] - [ 0.0002379400000000, 0.0004983900000000, -0.0001312800000000 ] - [ 0.0000401600000000, -0.0001774500000000, -0.0000552700000000 ] - [ 0.0000178600000000, -0.0000914800000000, -0.0000220700000000 ] - [ 0.0001240800000000, 0.0001359800000000, -0.0000571800000000 ] - [ 0.0001119400000000, 0.0000037900000000, 0.0001431200000000 ] - [ 0.0000522200000000, 0.0000817600000000, 0.0000560100000000 ] - [ -0.0001484800000000, -0.0000518100000000, 0.0000611900000000 ] - [ 0.0007119500000000, -0.0006552300000000, 0.0009553400000000 ] - [ -0.0000321300000000, -0.0000412000000000, 0.0000313200000000 ] - [ 0.0000991100000000, 0.0001664600000000, 0.0000720000000000 ] - [ 0.0001146000000000, -0.0000462700000000, -0.0000960900000000 ] - [ 0.0015439200000000, -0.0009813700000000, 0.0005250000000000 ] - [ -0.0000539400000000, 0.0001502900000000, 0.0001464500000000 ] - [ -0.0000548500000000, -0.0001370600000000, 0.0000417700000000 ] - [ -0.0000687200000000, 0.0000371800000000, -0.0003778000000000 ] - [ -0.0002065000000000, 0.0003325100000000, 0.0000807400000000 ] - [ -0.0000639800000000, -0.0001763400000000, -0.0001106800000000 ] - [ -0.0001032300000000, 0.0000133900000000, 0.0000052400000000 ] - [ -0.0001627800000000, 0.0000345100000000, -0.0001882100000000 ] - [ -0.0009268000000000, -0.0020532600000000, 0.0001986900000000 ] - [ 0.0009730000000000, 0.0010599900000000, -0.0005033800000000 ] - [ -0.0000822200000000, -0.0002155500000000, -0.0000574300000000 ] - [ 0.0000742100000000, 0.0000112100000000, 0.0000792700000000 ] - [ 0.0094175300000000, 0.0020975400000000, 0.0018503500000000 ] - [ 0.0001398100000000, 0.0000784800000000, 0.0000455100000000 ] - [ -0.0000403200000000, -0.0005659700000000, 0.0000648900000000 ] - [ -0.0001750200000000, -0.0005738800000000, 0.0003216200000000 ] - [ 0.0000473100000000, 0.0002058900000000, -0.0004225300000000 ] - [ 0.0000570600000000, 0.0000853600000000, -0.0001062600000000 ] - [ -0.0007265700000000, -0.0001868200000000, -0.0003691300000000 ] - [ -0.0001848000000000, -0.0003342700000000, 0.0001487100000000 ] - [ -0.0001352400000000, 0.0001039700000000, 0.0000591600000000 ] - [ -0.0001861500000000, 0.0000212200000000, -0.0000360900000000 ] - [ -0.0000337600000000, -0.0000632100000000, -0.0000479800000000 ] - [ -0.0002334800000000, 0.0002071200000000, 0.0001052000000000 ] - [ -0.0000662400000000, 0.0000644900000000, -0.0001149800000000 ] - [ -0.0001472100000000, 0.0000247200000000, 0.0000395900000000 ] - [ -0.0006079800000000, 0.0013217700000000, -0.0002438500000000 ] - [ 0.0006092200000000, 0.0008107700000000, -0.0007779500000000 ] - [ 0.0002533400000000, 0.0001523700000000, -0.0001226000000000 ] - [ 0.0394256700000000, 0.0234503600000000, 0.0091223600000000 ] - [ 0.0001433400000000, 0.0001568100000000, -0.0000444900000000 ]- atom: 9 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ -0.0000952000000000, -0.0003639900000000, -0.0004080500000000 ] - [ 0.0000566200000000, 0.0000132200000000, -0.0000572000000000 ] - [ -0.0000950900000000, 0.0000890400000000, 0.0000248300000000 ] - [ -0.0000802800000000, -0.0000641900000000, 0.0000406700000000 ] - [ 0.0001905800000000, -0.0011427100000000, -0.0022326100000000 ] - [ 0.0000828100000000, 0.0001448400000000, -0.0001316300000000 ] - [ 0.0000547200000000, -0.0001758100000000, 0.0000732700000000 ] - [ 0.0002355100000000, 0.0005246700000000, -0.0011929000000000 ] - [ 0.0609404500000000, 0.0233138900000000, 0.0113961500000000 ] - [ 0.0000991200000000, 0.0002875500000000, -0.0000545100000000 ] - [ 0.0002314900000000, -0.0001868100000000, 0.0000422900000000 ] - [ 0.0000261700000000, 0.0000876400000000, 0.0001255200000000 ] - [ -0.0000173200000000, -0.0001116200000000, 0.0001622500000000 ] - [ 0.0011004900000000, 0.0014281100000000, 0.0004723000000000 ] - [ -0.0004604100000000, 0.0037483900000000, 0.0014505900000000 ] - [ 0.0000819700000000, 0.0001631200000000, 0.0000831300000000 ] - [ -0.0000840500000000, -0.0001825400000000, 0.0000317200000000 ] - [ 0.0000026300000000, 0.0002226600000000, 0.0000557600000000 ] - [ 0.0000186700000000, 0.0000281900000000, 0.0002665700000000 ] - [ -0.0012147400000000, -0.0010842800000000, -0.0000947100000000 ] - [ -0.0022064300000000, -0.0010111300000000, 0.0003074900000000 ] - [ -0.0001211200000000, 0.0000271800000000, 0.0000289100000000 ] - [ -0.0002175400000000, -0.0003148900000000, 0.0000370700000000 ] - [ -0.0002041000000000, 0.0002025600000000, 0.0000221100000000 ] - [ -0.0000829200000000, -0.0001029600000000, -0.0000832900000000 ] - [ -0.0000757300000000, 0.0000075300000000, -0.0001870900000000 ] - [ -0.0001400600000000, -0.0001997900000000, 0.0001157800000000 ] - [ -0.0001068100000000, 0.0001406700000000, -0.0000009100000000 ] - [ -0.0000223900000000, 0.0000373700000000, -0.0002353300000000 ] - [ -0.0000529400000000, -0.0000293500000000, -0.0002309200000000 ] - [ -0.0002574500000000, -0.0000445600000000, 0.0000952800000000 ] - [ -0.0001576700000000, 0.0000868000000000, -0.0000615800000000 ] - [ -0.0002921400000000, 0.0002788000000000, -0.0001116000000000 ] - [ -0.0000388400000000, -0.0001042300000000, -0.0000684100000000 ] - [ 0.0000142100000000, 0.0001353100000000, 0.0000385400000000 ] - [ -0.0000222700000000, -0.0002157200000000, 0.0000397600000000 ] - [ -0.0001473700000000, -0.0000241000000000, -0.0000548900000000 ] - [ -0.0000928000000000, 0.0000104200000000, -0.0000909700000000 ] - [ -0.0002035100000000, -0.0000582600000000, -0.0001317300000000 ] - [ -0.0001661000000000, 0.0000780900000000, -0.0000585600000000 ] - [ -0.0000183900000000, -0.0000275000000000, -0.0000437600000000 ] - [ 0.0000384100000000, -0.0000202100000000, 0.0000812800000000 ] - [ -0.0053877000000000, -0.0011607500000000, -0.0016321100000000 ] - [ 0.0002628500000000, 0.0000610600000000, 0.0000076800000000 ] - [ -0.0039828600000000, -0.0007456600000000, 0.0027954700000000 ] - [ 0.0000704500000000, 0.0000379200000000, -0.0001393000000000 ] - [ -0.0001491400000000, -0.0000834800000000, 0.0000022000000000 ] - [ 0.0000485100000000, -0.0002387500000000, -0.0000730400000000 ] - [ 0.0002671600000000, -0.0001134300000000, -0.0000529200000000 ] - [ 0.0001606500000000, 0.0000686700000000, -0.0000181700000000 ] - [ 0.0002046000000000, -0.0000260000000000, 0.0000180200000000 ] - [ 0.0002622900000000, -0.0000591400000000, 0.0001048100000000 ] - [ -0.0001258000000000, -0.0000176500000000, 0.0001631800000000 ] - [ -0.0010026700000000, 0.0007362100000000, -0.0007476100000000 ] - [ -0.0000818100000000, -0.0000635000000000, -0.0000198200000000 ] - [ -0.0002122600000000, -0.0000608000000000, -0.0000599500000000 ] - [ 0.0000240800000000, -0.0000201500000000, 0.0000790100000000 ] - [ -0.0013768100000000, 0.0010295400000000, -0.0005291500000000 ] - [ -0.0000504600000000, 0.0001550500000000, 0.0000879800000000 ] - [ -0.0000500300000000, -0.0001678700000000, 0.0001909300000000 ] - [ 0.0002385000000000, -0.0003470500000000, 0.0001636700000000 ] - [ 0.0003748100000000, -0.0000195000000000, -0.0002916400000000 ] - [ 0.0000251100000000, -0.0000244400000000, -0.0000352000000000 ] - [ 0.0000640500000000, 0.0001883500000000, -0.0001492200000000 ] - [ -0.0001754500000000, 0.0001785000000000, -0.0001931800000000 ] - [ 0.0006019500000000, 0.0018477100000000, -0.0005714000000000 ] - [ -0.0011748600000000, -0.0009063800000000, 0.0004580800000000 ] - [ -0.0001106800000000, 0.0000530100000000, 0.0000265900000000 ] - [ -0.0000082300000000, 0.0001307400000000, -0.0002002400000000 ] - [ -0.0093740500000000, -0.0022246700000000, -0.0020018000000000 ] - [ -0.0001093200000000, -0.0000416000000000, -0.0001148100000000 ] - [ 0.0000685300000000, 0.0005301500000000, -0.0001375000000000 ] - [ 0.0003696700000000, 0.0005509700000000, -0.0002897100000000 ] - [ 0.0001488100000000, -0.0001800200000000, 0.0004616600000000 ] - [ 0.0002621500000000, -0.0000248500000000, -0.0000879000000000 ] - [ 0.0010403200000000, 0.0001299600000000, 0.0001735000000000 ] - [ -0.0000099400000000, 0.0000752500000000, -0.0000448000000000 ] - [ -0.0000599800000000, 0.0001529300000000, 0.0000427700000000 ] - [ 0.0001958900000000, 0.0001403900000000, 0.0000976700000000 ] - [ 0.0000467700000000, -0.0000983200000000, 0.0001109000000000 ] - [ 0.0003923000000000, -0.0003053900000000, -0.0002078000000000 ] - [ 0.0002250800000000, 0.0000320300000000, 0.0000125800000000 ] - [ -0.0000546100000000, 0.0000387100000000, 0.0000120800000000 ] - [ 0.0004202000000000, -0.0013504700000000, 0.0002960000000000 ] - [ -0.0006609600000000, -0.0009985900000000, 0.0008513000000000 ] - [ -0.0003104400000000, 0.0000409300000000, 0.0002016800000000 ] - [ -0.0376943700000000, -0.0223741400000000, -0.0084054000000000 ] - [ -0.0001124700000000, -0.0001168600000000, 0.0001843200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005312800000000, 0.0007188900000000, -0.0002858900000000 ] - [ 0.0000954500000000, -0.0000363800000000, -0.0000398600000000 ] - [ -0.0001339500000000, 0.0000974600000000, 0.0000422500000000 ] - [ -0.0001707400000000, -0.0001723000000000, 0.0000508800000000 ] - [ -0.0003013500000000, 0.0002162400000000, 0.0009737900000000 ] - [ 0.0000291500000000, 0.0002063500000000, 0.0002054400000000 ] - [ -0.0002606500000000, 0.0003366100000000, -0.0007960200000000 ] - [ 0.0006591400000000, -0.0003517600000000, -0.0020491500000000 ] - [ -0.0241563100000000, -0.0862437100000000, 0.0108455500000000 ] - [ 0.0000698200000000, 0.0001926200000000, -0.0001021800000000 ] - [ 0.0000776100000000, -0.0000357200000000, 0.0002436400000000 ] - [ 0.0000940100000000, 0.0003273400000000, 0.0000809800000000 ] - [ -0.0000630600000000, 0.0000004700000000, 0.0001396100000000 ] - [ -0.0042661000000000, 0.0058008100000000, -0.0030181900000000 ] - [ -0.0008187900000000, 0.0026671300000000, 0.0024377500000000 ] - [ 0.0001041500000000, 0.0002070200000000, 0.0000064400000000 ] - [ 0.0002079400000000, -0.0001696200000000, 0.0001836800000000 ] - [ -0.0001387900000000, 0.0001861800000000, -0.0000124800000000 ] - [ 0.0000581700000000, -0.0000526700000000, 0.0002576000000000 ] - [ 0.0016638000000000, 0.0011040200000000, 0.0005979300000000 ] - [ 0.0006846000000000, 0.0006099800000000, 0.0002212900000000 ] - [ -0.0000535700000000, -0.0001131000000000, 0.0000793900000000 ] - [ -0.0003045300000000, 0.0001689100000000, 0.0000069300000000 ] - [ -0.0001967700000000, 0.0002575200000000, 0.0000240000000000 ] - [ -0.0000435200000000, -0.0000995800000000, -0.0000746500000000 ] - [ 0.0000003600000000, 0.0002314200000000, -0.0000101400000000 ] - [ -0.0000303700000000, 0.0000232400000000, -0.0000587100000000 ] - [ -0.0001108200000000, 0.0000927600000000, -0.0000523900000000 ] - [ 0.0001488600000000, 0.0000144300000000, -0.0000636500000000 ] - [ 0.0001663400000000, -0.0000933100000000, -0.0000474200000000 ] - [ -0.0000818000000000, -0.0000583300000000, -0.0000361500000000 ] - [ -0.0000429000000000, 0.0000380900000000, 0.0000504800000000 ] - [ 0.0001171500000000, -0.0000657200000000, 0.0000020200000000 ] - [ -0.0000093900000000, -0.0001984700000000, -0.0000753700000000 ] - [ 0.0000274400000000, 0.0001985100000000, 0.0000775900000000 ] - [ 0.0001462100000000, 0.0000383300000000, 0.0001035400000000 ] - [ -0.0000210400000000, 0.0001316300000000, -0.0001507200000000 ] - [ 0.0000098600000000, 0.0000058500000000, -0.0001450300000000 ] - [ 0.0000131800000000, -0.0000201600000000, 0.0000680200000000 ] - [ -0.0000671000000000, 0.0000374400000000, -0.0000037300000000 ] - [ -0.0001147500000000, 0.0000333500000000, -0.0000336000000000 ] - [ 0.0000233700000000, -0.0000269600000000, -0.0001327600000000 ] - [ 0.0050722100000000, -0.0009831900000000, 0.0024101400000000 ] - [ 0.0002230400000000, 0.0000165500000000, 0.0000039900000000 ] - [ -0.0009993000000000, -0.0010126100000000, -0.0002076300000000 ] - [ -0.0000735800000000, -0.0001685200000000, -0.0001178900000000 ] - [ 0.0003403800000000, 0.0008797500000000, -0.0001730500000000 ] - [ 0.0000129600000000, -0.0000810800000000, -0.0000489900000000 ] - [ 0.0001705200000000, 0.0000412100000000, 0.0001309900000000 ] - [ 0.0000889200000000, 0.0002119100000000, -0.0001206100000000 ] - [ 0.0001296100000000, 0.0001386800000000, 0.0002283000000000 ] - [ -0.0000202100000000, 0.0003675500000000, -0.0000386600000000 ] - [ -0.0000968600000000, -0.0001318300000000, 0.0000335000000000 ] - [ -0.0008180200000000, -0.0005201900000000, 0.0000804200000000 ] - [ -0.0000670600000000, 0.0000322300000000, 0.0000432200000000 ] - [ 0.0000712900000000, 0.0001745600000000, 0.0000532500000000 ] - [ 0.0000810100000000, -0.0001654600000000, -0.0000942200000000 ] - [ -0.0011101200000000, -0.0001635500000000, -0.0002217400000000 ] - [ -0.0000791400000000, 0.0001508400000000, 0.0001279300000000 ] - [ 0.0000477600000000, -0.0002345100000000, 0.0000855600000000 ] - [ 0.0000711600000000, 0.0003130600000000, -0.0003006400000000 ] - [ 0.0000979700000000, 0.0002654700000000, -0.0001980000000000 ] - [ -0.0000410100000000, -0.0003053000000000, -0.0001243600000000 ] - [ -0.0001616900000000, -0.0000948900000000, 0.0000346100000000 ] - [ -0.0002480300000000, -0.0002238200000000, -0.0001831800000000 ] - [ -0.0001371400000000, -0.0015735100000000, -0.0000081300000000 ] - [ 0.0002521000000000, 0.0020568800000000, 0.0003854300000000 ] - [ -0.0002172600000000, -0.0005127400000000, -0.0000267500000000 ] - [ -0.0002282100000000, 0.0000119300000000, 0.0004176600000000 ] - [ 0.0003643000000000, 0.0472130000000000, -0.0134504900000000 ] - [ 0.0001346300000000, 0.0000143300000000, 0.0000102100000000 ] - [ -0.0001974500000000, -0.0010208100000000, -0.0000000300000000 ] - [ -0.0003161700000000, -0.0005575200000000, 0.0003108900000000 ] - [ 0.0002055700000000, 0.0002215600000000, -0.0000315900000000 ] - [ 0.0000788500000000, 0.0003054300000000, -0.0001164600000000 ] - [ -0.0007847700000000, 0.0004255500000000, -0.0005138500000000 ] - [ 0.0000198700000000, -0.0005796200000000, 0.0001256100000000 ] - [ -0.0000775500000000, -0.0000734200000000, 0.0001340400000000 ] - [ -0.0000369200000000, 0.0000225900000000, -0.0001006200000000 ] - [ 0.0000166400000000, -0.0001666200000000, -0.0001138500000000 ] - [ 0.0003510600000000, -0.0000487200000000, -0.0003318400000000 ] - [ -0.0000076000000000, 0.0001329500000000, -0.0001172700000000 ] - [ -0.0000809800000000, -0.0000408000000000, 0.0000402700000000 ] - [ -0.0009959400000000, -0.0018740700000000, -0.0000052300000000 ] - [ 0.0010481000000000, 0.0021248400000000, -0.0003067500000000 ] - [ 0.0004134300000000, -0.0002525600000000, 0.0004037700000000 ] - [ 0.0237748600000000, 0.0290504800000000, 0.0025672300000000 ] - [ 0.0001871700000000, 0.0004092300000000, -0.0001858800000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003660500000000, -0.0007190300000000, 0.0001444500000000 ] - [ 0.0000461100000000, 0.0000559300000000, -0.0000976500000000 ] - [ -0.0001251500000000, 0.0000752400000000, 0.0000265300000000 ] - [ -0.0000875500000000, -0.0000005500000000, 0.0000172500000000 ] - [ 0.0004091500000000, -0.0005634800000000, -0.0010155400000000 ] - [ 0.0000929800000000, 0.0001270500000000, -0.0002354800000000 ] - [ 0.0000839600000000, -0.0005091800000000, 0.0008176500000000 ] - [ -0.0008398900000000, 0.0004980300000000, 0.0020550500000000 ] - [ 0.0241525300000000, 0.0833502700000000, -0.0101932100000000 ] - [ 0.0000705800000000, 0.0003840700000000, -0.0000183000000000 ] - [ -0.0000231700000000, -0.0002454600000000, 0.0000047700000000 ] - [ -0.0000427200000000, -0.0000567400000000, 0.0001669200000000 ] - [ -0.0000462200000000, -0.0001727200000000, 0.0001646700000000 ] - [ 0.0041073200000000, -0.0055385800000000, 0.0032871600000000 ] - [ 0.0008628900000000, -0.0029827400000000, -0.0022338900000000 ] - [ -0.0000312400000000, 0.0001511800000000, 0.0001634700000000 ] - [ -0.0002413000000000, -0.0002362200000000, -0.0000512600000000 ] - [ 0.0001101800000000, 0.0002189600000000, 0.0001464200000000 ] - [ 0.0000742700000000, 0.0000491500000000, 0.0002302100000000 ] - [ -0.0015615800000000, -0.0011167800000000, -0.0001199400000000 ] - [ -0.0008548200000000, -0.0005847300000000, -0.0000779100000000 ] - [ -0.0001184400000000, 0.0000894700000000, 0.0000658800000000 ] - [ -0.0000952600000000, -0.0005754300000000, 0.0000298000000000 ] - [ -0.0002024800000000, 0.0001457700000000, 0.0000123100000000 ] - [ 0.0000127200000000, -0.0000611000000000, -0.0001941700000000 ] - [ -0.0000323600000000, -0.0000723200000000, -0.0002593900000000 ] - [ -0.0001355800000000, -0.0002501500000000, 0.0001218900000000 ] - [ -0.0000541300000000, 0.0001326000000000, 0.0001141500000000 ] - [ -0.0000169300000000, 0.0000794300000000, -0.0002471000000000 ] - [ -0.0000357400000000, 0.0000002600000000, -0.0002653800000000 ] - [ 0.0000230200000000, -0.0001153100000000, 0.0000740800000000 ] - [ -0.0000172700000000, 0.0001348400000000, -0.0000126600000000 ] - [ -0.0001241100000000, 0.0002834700000000, -0.0001236200000000 ] - [ 0.0000048500000000, -0.0000156200000000, -0.0000441600000000 ] - [ 0.0000706600000000, 0.0000676100000000, 0.0000525200000000 ] - [ -0.0000494700000000, -0.0003071200000000, 0.0000258900000000 ] - [ -0.0000484200000000, -0.0001401400000000, -0.0000752500000000 ] - [ -0.0000796900000000, 0.0000008900000000, -0.0000811200000000 ] - [ -0.0001500100000000, -0.0000388900000000, -0.0001290200000000 ] - [ -0.0000700500000000, 0.0000221800000000, -0.0000592800000000 ] - [ 0.0000399900000000, -0.0001082400000000, 0.0000044400000000 ] - [ -0.0001014100000000, 0.0000992900000000, 0.0001033400000000 ] - [ -0.0045421000000000, 0.0008945900000000, -0.0023854000000000 ] - [ 0.0002843300000000, 0.0000545800000000, 0.0000005300000000 ] - [ 0.0009670500000000, 0.0011061300000000, 0.0000672700000000 ] - [ 0.0000772900000000, 0.0000738700000000, -0.0000355200000000 ] - [ -0.0002565000000000, -0.0004638500000000, 0.0000471900000000 ] - [ 0.0000712100000000, -0.0003334500000000, -0.0000766700000000 ] - [ 0.0001084500000000, -0.0002529500000000, -0.0002088400000000 ] - [ 0.0001947600000000, -0.0000059500000000, 0.0000456500000000 ] - [ 0.0001890100000000, -0.0001657800000000, -0.0000697600000000 ] - [ 0.0003386000000000, -0.0003445400000000, 0.0002015100000000 ] - [ -0.0001798400000000, 0.0000616600000000, 0.0001931300000000 ] - [ 0.0005343600000000, 0.0005861600000000, 0.0001450400000000 ] - [ -0.0000433100000000, -0.0001360000000000, -0.0000346800000000 ] - [ -0.0001849800000000, -0.0000754300000000, -0.0000443400000000 ] - [ 0.0000556000000000, 0.0001033800000000, 0.0000776600000000 ] - [ 0.0012559300000000, 0.0002230700000000, 0.0002071500000000 ] - [ -0.0000264700000000, 0.0001557600000000, 0.0001047000000000 ] - [ -0.0001540800000000, -0.0000764000000000, 0.0001490300000000 ] - [ 0.0000994300000000, -0.0006260000000000, 0.0000864400000000 ] - [ 0.0000754000000000, 0.0000414800000000, -0.0000154700000000 ] - [ 0.0000007800000000, 0.0001086500000000, -0.0000213800000000 ] - [ 0.0001217900000000, 0.0002981200000000, -0.0001801800000000 ] - [ -0.0000831800000000, 0.0004439900000000, -0.0001970200000000 ] - [ -0.0001912100000000, 0.0013666400000000, -0.0003783800000000 ] - [ -0.0004318500000000, -0.0018414000000000, -0.0003858400000000 ] - [ 0.0000300500000000, 0.0003573700000000, -0.0000027700000000 ] - [ 0.0003021700000000, 0.0001297000000000, -0.0005458300000000 ] - [ -0.0006149500000000, -0.0453958000000000, 0.0124689700000000 ] - [ -0.0001081000000000, 0.0000214500000000, -0.0000767000000000 ] - [ 0.0002288900000000, 0.0009951200000000, -0.0000695700000000 ] - [ 0.0005158100000000, 0.0005272300000000, -0.0002822000000000 ] - [ -0.0000094200000000, -0.0001894700000000, 0.0000583400000000 ] - [ 0.0002373400000000, -0.0002473700000000, -0.0000775000000000 ] - [ 0.0011100000000000, -0.0004965700000000, 0.0003189000000000 ] - [ -0.0002128600000000, 0.0003292600000000, -0.0000238800000000 ] - [ -0.0001171300000000, 0.0003294500000000, -0.0000316300000000 ] - [ 0.0000485500000000, 0.0001363500000000, 0.0001669700000000 ] - [ -0.0000018300000000, 0.0000075100000000, 0.0001812400000000 ] - [ -0.0001964100000000, -0.0000518600000000, 0.0002309600000000 ] - [ 0.0001681900000000, -0.0000347100000000, 0.0000113700000000 ] - [ -0.0001246800000000, 0.0001047600000000, 0.0000086600000000 ] - [ 0.0007832900000000, 0.0017985200000000, 0.0000492300000000 ] - [ -0.0010863900000000, -0.0023011600000000, 0.0003781700000000 ] - [ -0.0004769500000000, 0.0004483200000000, -0.0003294700000000 ] - [ -0.0232057900000000, -0.0288406300000000, -0.0023505500000000 ] - [ -0.0001604200000000, -0.0003789700000000, 0.0003309600000000 ]- atom: 9 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0003942600000000, -0.0002894600000000, -0.0006970600000000 ] - [ 0.0000636300000000, 0.0000225700000000, -0.0000990600000000 ] - [ -0.0001416500000000, 0.0000832800000000, 0.0000201400000000 ] - [ -0.0001282000000000, -0.0000759800000000, 0.0000281700000000 ] - [ 0.0018621000000000, 0.0031935200000000, 0.0023633300000000 ] - [ 0.0000744800000000, 0.0001573300000000, 0.0000264300000000 ] - [ -0.0000282300000000, -0.0004065700000000, 0.0007396900000000 ] - [ -0.0019800800000000, -0.0033772000000000, 0.0041113300000000 ] - [ -0.0116056500000000, 0.0101128500000000, -0.0257670300000000 ] - [ 0.0000624300000000, 0.0003305300000000, -0.0000279000000000 ] - [ 0.0000938400000000, -0.0000271000000000, 0.0000374000000000 ] - [ 0.0000100000000000, 0.0001195300000000, 0.0001506600000000 ] - [ -0.0000572000000000, -0.0000968200000000, 0.0001615300000000 ] - [ 0.0005590000000000, -0.0020731200000000, 0.0015669200000000 ] - [ 0.0003043600000000, 0.0017455100000000, -0.0001109600000000 ] - [ -0.0000169900000000, 0.0001782200000000, 0.0001449900000000 ] - [ -0.0000474000000000, -0.0001966300000000, 0.0000590200000000 ] - [ 0.0000834400000000, 0.0001932600000000, 0.0001690800000000 ] - [ 0.0000160200000000, 0.0000153400000000, 0.0002745600000000 ] - [ 0.0008552300000000, 0.0007536900000000, 0.0007249000000000 ] - [ -0.0006698300000000, -0.0001017800000000, 0.0001158600000000 ] - [ -0.0000718500000000, -0.0000126500000000, 0.0001125000000000 ] - [ -0.0001755300000000, -0.0002215500000000, 0.0000229900000000 ] - [ -0.0001952900000000, 0.0001970900000000, 0.0000308600000000 ] - [ -0.0000306700000000, -0.0000974900000000, -0.0000914200000000 ] - [ 0.0000083600000000, 0.0000799600000000, -0.0001480600000000 ] - [ -0.0000864200000000, -0.0001219800000000, 0.0000272400000000 ] - [ -0.0000550800000000, 0.0001082300000000, 0.0000836000000000 ] - [ 0.0000739600000000, 0.0000553300000000, -0.0001300700000000 ] - [ 0.0000707000000000, -0.0000223800000000, -0.0001685500000000 ] - [ 0.0000436800000000, -0.0001111300000000, -0.0000052600000000 ] - [ -0.0000060600000000, 0.0000712900000000, 0.0000777400000000 ] - [ -0.0000150000000000, 0.0001656400000000, -0.0000967600000000 ] - [ -0.0000032800000000, -0.0000968300000000, -0.0000417800000000 ] - [ 0.0000617200000000, 0.0001217200000000, 0.0000827300000000 ] - [ 0.0000418100000000, -0.0001438500000000, 0.0000541300000000 ] - [ 0.0000066300000000, -0.0000246300000000, -0.0001303200000000 ] - [ -0.0000346300000000, 0.0000052800000000, -0.0000997900000000 ] - [ -0.0000183400000000, -0.0000140700000000, 0.0000182200000000 ] - [ -0.0000709100000000, 0.0000421700000000, -0.0000483300000000 ] - [ -0.0000101100000000, -0.0000716100000000, 0.0000007400000000 ] - [ -0.0000858200000000, -0.0000600700000000, -0.0000247400000000 ] - [ 0.0011576200000000, 0.0009232700000000, 0.0005563400000000 ] - [ 0.0002642600000000, 0.0000491600000000, 0.0000292300000000 ] - [ -0.0012566500000000, -0.0011662500000000, 0.0003082500000000 ] - [ -0.0000304700000000, -0.0000959100000000, -0.0000100800000000 ] - [ 0.0000031400000000, 0.0001802800000000, 0.0000103300000000 ] - [ 0.0000545000000000, -0.0002228500000000, -0.0000579500000000 ] - [ 0.0001488000000000, 0.0000221900000000, -0.0001420400000000 ] - [ 0.0001496800000000, 0.0000775600000000, -0.0000046100000000 ] - [ 0.0001480700000000, 0.0000072000000000, 0.0000895100000000 ] - [ 0.0001659300000000, -0.0000646300000000, 0.0001259700000000 ] - [ -0.0001530300000000, -0.0000215900000000, 0.0001120000000000 ] - [ 0.0004292800000000, -0.0000967200000000, 0.0005539300000000 ] - [ -0.0000453200000000, -0.0000685100000000, 0.0000085000000000 ] - [ -0.0000503700000000, 0.0000766700000000, 0.0000217800000000 ] - [ 0.0000680100000000, -0.0000503400000000, 0.0000362600000000 ] - [ 0.0009486500000000, -0.0003559600000000, 0.0002352200000000 ] - [ -0.0000450500000000, 0.0001394500000000, 0.0001196600000000 ] - [ -0.0001841100000000, -0.0002520600000000, 0.0000999100000000 ] - [ -0.0000018000000000, -0.0001552200000000, -0.0001541300000000 ] - [ 0.0001289800000000, 0.0000825800000000, -0.0001496900000000 ] - [ -0.0000348400000000, -0.0000886200000000, -0.0000767100000000 ] - [ 0.0000044500000000, 0.0001236800000000, -0.0000704700000000 ] - [ -0.0001733400000000, 0.0001212500000000, -0.0002028200000000 ] - [ -0.0002465300000000, -0.0006216400000000, -0.0008409900000000 ] - [ -0.0008606800000000, -0.0002209600000000, 0.0013507300000000 ] - [ -0.0000837100000000, -0.0001098800000000, -0.0000939600000000 ] - [ 0.0001749300000000, 0.0000709200000000, -0.0002390300000000 ] - [ 0.0023188300000000, -0.0120967300000000, 0.0081385200000000 ] - [ 0.0000427200000000, 0.0000217300000000, -0.0001817900000000 ] - [ 0.0000313800000000, -0.0000185300000000, 0.0000171700000000 ] - [ 0.0001271800000000, 0.0000321400000000, 0.0000349000000000 ] - [ -0.0000215200000000, 0.0000328600000000, -0.0001724000000000 ] - [ 0.0002122400000000, 0.0000140300000000, -0.0001518000000000 ] - [ 0.0001032900000000, -0.0002203600000000, 0.0000345000000000 ] - [ -0.0001356500000000, -0.0001037300000000, 0.0000620500000000 ] - [ -0.0001159100000000, 0.0001652400000000, 0.0000245000000000 ] - [ -0.0000216900000000, 0.0000708700000000, 0.0000164700000000 ] - [ 0.0000217000000000, -0.0000755500000000, 0.0000391700000000 ] - [ -0.0001088600000000, -0.0000168900000000, 0.0001453100000000 ] - [ 0.0000988300000000, 0.0000752700000000, -0.0001362100000000 ] - [ -0.0001243500000000, 0.0000399000000000, 0.0000213500000000 ] - [ 0.0003292300000000, 0.0007708500000000, -0.0008790400000000 ] - [ -0.0003797300000000, 0.0005298100000000, 0.0015355500000000 ] - [ -0.0001487400000000, 0.0003047000000000, -0.0001016700000000 ] - [ 0.0078660000000000, 0.0021338700000000, 0.0065171700000000 ] - [ 0.0000732000000000, -0.0000520200000000, -0.0000965700000000 ]- atom: 9 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ -0.0002548200000000, 0.0002693700000000, 0.0005644800000000 ] - [ 0.0000767100000000, -0.0000025100000000, -0.0000375400000000 ] - [ -0.0001163700000000, 0.0000892100000000, 0.0000492600000000 ] - [ -0.0001299400000000, -0.0000960100000000, 0.0000410700000000 ] - [ -0.0016918400000000, -0.0034742900000000, -0.0023277100000000 ] - [ 0.0000473700000000, 0.0001810100000000, -0.0000522400000000 ] - [ -0.0001482500000000, 0.0002281900000000, -0.0007081700000000 ] - [ 0.0018184100000000, 0.0036269900000000, -0.0042151800000000 ] - [ 0.0118103900000000, -0.0109206800000000, 0.0257617900000000 ] - [ 0.0000763600000000, 0.0002455500000000, -0.0000932100000000 ] - [ -0.0000449400000000, -0.0002424500000000, 0.0002105700000000 ] - [ 0.0000393400000000, 0.0001510700000000, 0.0000977800000000 ] - [ -0.0000516400000000, -0.0000752700000000, 0.0001408300000000 ] - [ -0.0006434700000000, 0.0022215200000000, -0.0012593500000000 ] - [ -0.0002433700000000, -0.0020994200000000, 0.0002745400000000 ] - [ 0.0000888500000000, 0.0001806300000000, 0.0000267700000000 ] - [ 0.0000217600000000, -0.0002096000000000, 0.0000781900000000 ] - [ -0.0001089400000000, 0.0002127000000000, -0.0000318400000000 ] - [ 0.0001170900000000, -0.0000208400000000, 0.0002101500000000 ] - [ -0.0007380300000000, -0.0007631000000000, -0.0002461900000000 ] - [ 0.0004958300000000, 0.0001257100000000, 0.0000268600000000 ] - [ -0.0000983100000000, -0.0000127800000000, 0.0000330600000000 ] - [ -0.0002209700000000, -0.0001851600000000, 0.0000134200000000 ] - [ -0.0002015800000000, 0.0002091300000000, 0.0000059300000000 ] - [ 0.0000006300000000, -0.0000610900000000, -0.0001799200000000 ] - [ -0.0000386400000000, 0.0000789700000000, -0.0001224500000000 ] - [ -0.0000790400000000, -0.0001074600000000, 0.0000367700000000 ] - [ -0.0001101900000000, 0.0001212300000000, -0.0000190800000000 ] - [ 0.0000541600000000, 0.0000339100000000, -0.0001838900000000 ] - [ 0.0000583500000000, -0.0000669700000000, -0.0001445500000000 ] - [ -0.0001057300000000, -0.0000588800000000, 0.0000421000000000 ] - [ -0.0000568700000000, 0.0000983200000000, -0.0000408000000000 ] - [ 0.0000050300000000, 0.0000522800000000, -0.0000275300000000 ] - [ -0.0000059900000000, -0.0001189400000000, -0.0000813000000000 ] - [ 0.0000334200000000, 0.0001451800000000, 0.0000452900000000 ] - [ 0.0000529300000000, -0.0001237500000000, 0.0000736400000000 ] - [ -0.0000761300000000, 0.0000166100000000, -0.0000943100000000 ] - [ -0.0000351400000000, 0.0000024700000000, -0.0001245400000000 ] - [ -0.0001187600000000, -0.0000477300000000, -0.0000847500000000 ] - [ -0.0000668600000000, 0.0000200800000000, -0.0000195400000000 ] - [ -0.0000651100000000, -0.0000045400000000, -0.0000342300000000 ] - [ 0.0000104100000000, 0.0001366800000000, -0.0000086500000000 ] - [ -0.0006954400000000, -0.0009950800000000, -0.0005632800000000 ] - [ 0.0002415100000000, 0.0000218200000000, -0.0000240100000000 ] - [ 0.0012758000000000, 0.0012643400000000, -0.0004582100000000 ] - [ 0.0000362800000000, -0.0000011200000000, -0.0001458700000000 ] - [ 0.0000841700000000, 0.0002328300000000, -0.0001390400000000 ] - [ 0.0000344800000000, -0.0001937400000000, -0.0000710200000000 ] - [ 0.0001369500000000, -0.0002255000000000, 0.0000654800000000 ] - [ 0.0001353600000000, 0.0001270800000000, -0.0000711500000000 ] - [ 0.0001676600000000, -0.0000299500000000, 0.0000704300000000 ] - [ 0.0001497100000000, 0.0000871700000000, 0.0000347900000000 ] - [ -0.0001217600000000, -0.0000471700000000, 0.0001115500000000 ] - [ -0.0007080700000000, 0.0001706500000000, -0.0003349600000000 ] - [ -0.0000672600000000, -0.0000362200000000, 0.0000025900000000 ] - [ -0.0000630700000000, 0.0000276100000000, -0.0000111300000000 ] - [ 0.0000710800000000, -0.0000151800000000, -0.0000524800000000 ] - [ -0.0008023000000000, 0.0004209600000000, -0.0002534500000000 ] - [ -0.0000590700000000, 0.0001660800000000, 0.0001139600000000 ] - [ 0.0000812500000000, -0.0000525900000000, 0.0001345300000000 ] - [ 0.0001705700000000, -0.0001578400000000, -0.0000574200000000 ] - [ 0.0000409900000000, 0.0002282000000000, -0.0000648100000000 ] - [ -0.0000047000000000, -0.0001111000000000, -0.0000686200000000 ] - [ -0.0000439400000000, 0.0000787100000000, -0.0000749000000000 ] - [ -0.0001655700000000, 0.0000952000000000, -0.0001783600000000 ] - [ -0.0000840700000000, 0.0004227700000000, 0.0004610200000000 ] - [ 0.0006793500000000, 0.0003726000000000, -0.0013758600000000 ] - [ -0.0001068500000000, -0.0000500200000000, 0.0000627100000000 ] - [ -0.0001024700000000, 0.0000714200000000, 0.0001141700000000 ] - [ -0.0023541400000000, 0.0121292300000000, -0.0082204100000000 ] - [ -0.0000106900000000, 0.0000143100000000, 0.0001144900000000 ] - [ -0.0000006300000000, -0.0000152700000000, -0.0000867800000000 ] - [ 0.0000710400000000, -0.0000593700000000, -0.0000034200000000 ] - [ 0.0002198400000000, -0.0000042800000000, 0.0002021000000000 ] - [ 0.0001088800000000, 0.0000450700000000, -0.0000404100000000 ] - [ 0.0002192700000000, 0.0001595000000000, -0.0002271500000000 ] - [ -0.0000575300000000, -0.0001518600000000, 0.0000416500000000 ] - [ -0.0000784600000000, 0.0000920300000000, 0.0000771300000000 ] - [ 0.0000322600000000, 0.0000912400000000, 0.0000479300000000 ] - [ -0.0000080500000000, -0.0000857000000000, 0.0000228100000000 ] - [ 0.0002653700000000, -0.0000817400000000, -0.0002452400000000 ] - [ 0.0000595600000000, 0.0000214000000000, 0.0000335700000000 ] - [ -0.0000788400000000, 0.0000246500000000, 0.0000314400000000 ] - [ -0.0005304500000000, -0.0008220000000000, 0.0009336400000000 ] - [ 0.0003130400000000, -0.0007216600000000, -0.0014739600000000 ] - [ 0.0000860600000000, -0.0001080200000000, 0.0001795800000000 ] - [ -0.0078479100000000, -0.0022443600000000, -0.0064468300000000 ] - [ -0.0000453200000000, 0.0000895100000000, 0.0002376500000000 ]- atom: 11 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ -0.0003927700000000, -0.0007938100000000, -0.0003831700000000 ] - [ 0.0000984900000000, 0.0000383700000000, -0.0000211600000000 ] - [ -0.0001586000000000, 0.0000792800000000, 0.0000552800000000 ] - [ -0.0001561800000000, -0.0000617200000000, 0.0000282600000000 ] - [ 0.0009269800000000, -0.0021967300000000, 0.0024640500000000 ] - [ 0.0000377100000000, 0.0001250700000000, -0.0000225900000000 ] - [ -0.0000763900000000, -0.0001642500000000, 0.0000241400000000 ] - [ -0.0002633900000000, 0.0001376200000000, 0.0000222100000000 ] - [ -0.0001378700000000, -0.0002383600000000, 0.0000103500000000 ] - [ 0.0000676300000000, 0.0002200200000000, -0.0000737000000000 ] - [ -0.0385351900000000, 0.0291032100000000, 0.0147511100000000 ] - [ 0.0000703100000000, 0.0002160500000000, 0.0000690300000000 ] - [ -0.0001372900000000, -0.0001324400000000, 0.0000967100000000 ] - [ -0.0008137400000000, 0.0020248900000000, 0.0022488900000000 ] - [ -0.0004388400000000, 0.0033483400000000, 0.0004370500000000 ] - [ 0.0000077600000000, 0.0001720800000000, 0.0001057500000000 ] - [ 0.0002412400000000, -0.0003375700000000, 0.0001437800000000 ] - [ 0.0000235600000000, 0.0002250700000000, 0.0000593200000000 ] - [ 0.0001069100000000, 0.0000064200000000, 0.0002291300000000 ] - [ 0.0000299300000000, -0.0000502200000000, 0.0002883900000000 ] - [ -0.0000716000000000, -0.0000219800000000, 0.0000799300000000 ] - [ -0.0000757900000000, -0.0000187300000000, 0.0000650500000000 ] - [ 0.0026991400000000, -0.0013076100000000, 0.0008853400000000 ] - [ -0.0001587700000000, 0.0002390700000000, 0.0000055700000000 ] - [ 0.0000505400000000, -0.0000127200000000, -0.0001828700000000 ] - [ 0.0000222200000000, 0.0000710400000000, -0.0000885900000000 ] - [ -0.0000502300000000, -0.0001304600000000, 0.0000076000000000 ] - [ -0.0000665000000000, 0.0001252300000000, 0.0000462200000000 ] - [ 0.0000920400000000, 0.0000428000000000, -0.0001573700000000 ] - [ 0.0000800700000000, -0.0000601500000000, -0.0001339400000000 ] - [ 0.0000326000000000, -0.0001269900000000, -0.0000175100000000 ] - [ 0.0000009800000000, 0.0000906400000000, 0.0000049500000000 ] - [ 0.0000429800000000, 0.0000400000000000, -0.0000444900000000 ] - [ 0.0000178100000000, -0.0001255800000000, -0.0000720600000000 ] - [ 0.0000782500000000, 0.0001334200000000, 0.0000737600000000 ] - [ 0.0002363700000000, -0.0000320600000000, 0.0001504000000000 ] - [ 0.0001239700000000, 0.0000199200000000, -0.0001490700000000 ] - [ 0.0000964200000000, -0.0000276300000000, -0.0001740600000000 ] - [ 0.0000727700000000, -0.0000310300000000, 0.0000308200000000 ] - [ -0.0000090000000000, 0.0000166000000000, -0.0000123100000000 ] - [ -0.0000563100000000, -0.0000705300000000, -0.0000652300000000 ] - [ 0.0000090200000000, -0.0000166900000000, 0.0000425700000000 ] - [ 0.0003824700000000, -0.0001164300000000, 0.0000026900000000 ] - [ 0.0002502500000000, 0.0000011500000000, -0.0000093300000000 ] - [ 0.0002718700000000, -0.0002744700000000, -0.0002182600000000 ] - [ -0.0000223100000000, -0.0001560800000000, -0.0000182100000000 ] - [ 0.0027820800000000, -0.0004510800000000, -0.0010037500000000 ] - [ -0.0000191600000000, -0.0001106900000000, -0.0001422900000000 ] - [ 0.0023871100000000, -0.0011424600000000, 0.0000840100000000 ] - [ 0.0000634900000000, 0.0001961600000000, -0.0001122700000000 ] - [ -0.0000162800000000, 0.0003645900000000, -0.0006688600000000 ] - [ -0.0003111700000000, -0.0000008200000000, 0.0006481500000000 ] - [ -0.0001396500000000, -0.0000576100000000, 0.0000834200000000 ] - [ -0.0002073900000000, 0.0000030900000000, 0.0000939100000000 ] - [ -0.0000388100000000, -0.0000258400000000, 0.0000139900000000 ] - [ 0.0000943100000000, 0.0001347900000000, 0.0000373900000000 ] - [ 0.0001142900000000, -0.0000739700000000, -0.0000976400000000 ] - [ 0.0001604600000000, -0.0001134700000000, 0.0000529400000000 ] - [ 0.0021225200000000, 0.0030499800000000, 0.0021722000000000 ] - [ 0.0009312400000000, 0.0003569300000000, -0.0025916600000000 ] - [ -0.0000051200000000, -0.0000843400000000, -0.0001391600000000 ] - [ -0.0000078900000000, 0.0002268900000000, -0.0000832000000000 ] - [ -0.0000452400000000, -0.0003025400000000, -0.0001246500000000 ] - [ -0.0002903800000000, -0.0000300900000000, 0.0000775200000000 ] - [ -0.0001187800000000, 0.0000770400000000, 0.0002008900000000 ] - [ 0.0152770000000000, -0.0128236200000000, -0.0201687100000000 ] - [ 0.0120875900000000, -0.0200357900000000, 0.0011649500000000 ] - [ 0.0000640600000000, -0.0000338700000000, -0.0003010000000000 ] - [ 0.0000967800000000, 0.0001716500000000, -0.0000600000000000 ] - [ 0.0019678300000000, -0.0009591800000000, -0.0004869500000000 ] - [ -0.0001850900000000, -0.0000870800000000, 0.0001537000000000 ] - [ 0.0000029200000000, 0.0004337600000000, -0.0003497900000000 ] - [ -0.0000762300000000, 0.0000605400000000, 0.0001155200000000 ] - [ 0.0000795700000000, -0.0000136600000000, -0.0000052800000000 ] - [ 0.0001329300000000, 0.0000705100000000, -0.0000738600000000 ] - [ 0.0001870200000000, 0.0000524600000000, -0.0001523700000000 ] - [ -0.0006890500000000, 0.0000178700000000, 0.0002046200000000 ] - [ -0.0001951200000000, 0.0000699900000000, 0.0000497300000000 ] - [ -0.0002149900000000, 0.0000428100000000, 0.0000139300000000 ] - [ -0.0000450500000000, -0.0001844000000000, 0.0000089700000000 ] - [ -0.0000394600000000, -0.0000499900000000, -0.0000006600000000 ] - [ -0.0000549600000000, 0.0001035800000000, -0.0000616400000000 ] - [ -0.0001523000000000, -0.0000780300000000, 0.0001000400000000 ] - [ 0.0015290300000000, -0.0003205100000000, 0.0000290300000000 ] - [ -0.0009079400000000, 0.0000886500000000, 0.0004523500000000 ] - [ 0.0000491100000000, 0.0004969700000000, 0.0002706700000000 ] - [ -0.0009817000000000, 0.0007987000000000, -0.0000019400000000 ] - [ 0.0000629100000000, 0.0001900200000000, 0.0000133100000000 ]- atom: 11 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0005201000000000, 0.0007566900000000, 0.0002409000000000 ] - [ 0.0000421300000000, -0.0000183500000000, -0.0001148500000000 ] - [ -0.0000988400000000, 0.0000933500000000, 0.0000143200000000 ] - [ -0.0001011800000000, -0.0001110300000000, 0.0000410800000000 ] - [ -0.0008005100000000, 0.0018815700000000, -0.0024985900000000 ] - [ 0.0000841400000000, 0.0002133600000000, -0.0000045900000000 ] - [ -0.0001009000000000, -0.0000032900000000, -0.0000125400000000 ] - [ 0.0000855200000000, 0.0000293600000000, -0.0000112700000000 ] - [ 0.0002769400000000, -0.0003378400000000, -0.0001307900000000 ] - [ 0.0000710100000000, 0.0003559300000000, -0.0000470100000000 ] - [ 0.0386412200000000, -0.0290558400000000, -0.0141837900000000 ] - [ -0.0000205600000000, 0.0000539700000000, 0.0001799900000000 ] - [ 0.0000311700000000, -0.0000394400000000, 0.0002060000000000 ] - [ 0.0007078500000000, -0.0018533200000000, -0.0019656600000000 ] - [ 0.0005130000000000, -0.0037355600000000, -0.0002570800000000 ] - [ 0.0000661500000000, 0.0001870700000000, 0.0000660700000000 ] - [ -0.0002709000000000, -0.0000660700000000, -0.0000073400000000 ] - [ -0.0000480100000000, 0.0001810900000000, 0.0000789300000000 ] - [ 0.0000260600000000, -0.0000119300000000, 0.0002563300000000 ] - [ 0.0001033200000000, 0.0000563500000000, 0.0001958100000000 ] - [ -0.0000977900000000, 0.0000485400000000, 0.0000659100000000 ] - [ -0.0000938200000000, -0.0000063900000000, 0.0000809400000000 ] - [ -0.0031961200000000, 0.0009388700000000, -0.0008811200000000 ] - [ -0.0002375100000000, 0.0001662200000000, 0.0000318600000000 ] - [ -0.0000811600000000, -0.0001471600000000, -0.0000855800000000 ] - [ -0.0000517800000000, 0.0000880800000000, -0.0001818300000000 ] - [ -0.0001148800000000, -0.0000987700000000, 0.0000571200000000 ] - [ -0.0000984800000000, 0.0001042400000000, 0.0000171600000000 ] - [ 0.0000367800000000, 0.0000464600000000, -0.0001540200000000 ] - [ 0.0000493200000000, -0.0000290100000000, -0.0001781500000000 ] - [ -0.0000956700000000, -0.0000419400000000, 0.0000555400000000 ] - [ -0.0000638000000000, 0.0000786600000000, 0.0000323400000000 ] - [ -0.0000522700000000, 0.0001768300000000, -0.0000791100000000 ] - [ -0.0000269600000000, -0.0000893500000000, -0.0000506100000000 ] - [ 0.0000165100000000, 0.0001333600000000, 0.0000546900000000 ] - [ -0.0001432300000000, -0.0002348700000000, -0.0000236600000000 ] - [ -0.0001978300000000, -0.0000282900000000, -0.0000735700000000 ] - [ -0.0001667900000000, 0.0000356400000000, -0.0000492000000000 ] - [ -0.0002090600000000, -0.0000311700000000, -0.0000964500000000 ] - [ -0.0001280100000000, 0.0000454500000000, -0.0000556100000000 ] - [ -0.0000207200000000, -0.0000051700000000, 0.0000316900000000 ] - [ -0.0000874100000000, 0.0000929800000000, -0.0000739100000000 ] - [ 0.0001221200000000, 0.0000469800000000, 0.0000016100000000 ] - [ 0.0002551900000000, 0.0000703600000000, 0.0000148600000000 ] - [ -0.0002659100000000, 0.0003746700000000, 0.0000632600000000 ] - [ 0.0000288900000000, 0.0000595800000000, -0.0001376500000000 ] - [ -0.0026312100000000, 0.0008610200000000, 0.0008317200000000 ] - [ 0.0001083700000000, -0.0003059200000000, 0.0000135100000000 ] - [ -0.0020562400000000, 0.0009026400000000, -0.0001388200000000 ] - [ 0.0002224900000000, 0.0000076400000000, 0.0000368000000000 ] - [ 0.0003376800000000, -0.0003831200000000, 0.0008181000000000 ] - [ 0.0006303200000000, 0.0000159800000000, -0.0004744900000000 ] - [ -0.0001340900000000, -0.0000108900000000, 0.0001411000000000 ] - [ -0.0000657200000000, 0.0000670500000000, 0.0001296900000000 ] - [ -0.0000747100000000, -0.0000794100000000, -0.0000025400000000 ] - [ -0.0002100800000000, -0.0000309400000000, -0.0000261100000000 ] - [ 0.0000252900000000, 0.0000078100000000, 0.0000816700000000 ] - [ -0.0000221400000000, 0.0001811000000000, -0.0000685400000000 ] - [ -0.0022109600000000, -0.0027004400000000, -0.0019058800000000 ] - [ -0.0010314000000000, -0.0006584900000000, 0.0028374200000000 ] - [ 0.0001753700000000, -0.0002278200000000, -0.0000739200000000 ] - [ 0.0001781000000000, 0.0000837700000000, -0.0001295700000000 ] - [ 0.0000085100000000, 0.0001030800000000, -0.0000202400000000 ] - [ 0.0002530700000000, 0.0002337500000000, -0.0002214000000000 ] - [ -0.0002217200000000, 0.0001371000000000, -0.0005817900000000 ] - [ -0.0156595100000000, 0.0124619700000000, 0.0194652900000000 ] - [ -0.0123839400000000, 0.0200228400000000, -0.0011567400000000 ] - [ -0.0002530500000000, -0.0001244400000000, 0.0002711000000000 ] - [ -0.0000263400000000, -0.0000301900000000, -0.0000655200000000 ] - [ -0.0018913300000000, 0.0008204700000000, 0.0003695900000000 ] - [ 0.0002138000000000, 0.0001242300000000, -0.0002238700000000 ] - [ 0.0000224200000000, -0.0004775600000000, 0.0002888800000000 ] - [ 0.0002767600000000, -0.0000903000000000, -0.0000856100000000 ] - [ 0.0001183900000000, 0.0000425500000000, 0.0000362500000000 ] - [ 0.0001867200000000, -0.0000097000000000, -0.0001203700000000 ] - [ 0.0001308100000000, -0.0001150700000000, -0.0000417500000000 ] - [ 0.0005076200000000, -0.0002792600000000, -0.0001059700000000 ] - [ 0.0000005900000000, 0.0001870600000000, 0.0000523700000000 ] - [ 0.0002276700000000, 0.0001196800000000, 0.0000496300000000 ] - [ 0.0000582500000000, 0.0000241100000000, 0.0000553700000000 ] - [ 0.0001997900000000, -0.0000474900000000, -0.0001026400000000 ] - [ 0.0002160700000000, -0.0000065900000000, -0.0000420400000000 ] - [ -0.0000504500000000, 0.0001431600000000, -0.0000487100000000 ] - [ -0.0016882400000000, 0.0002461600000000, 0.0000246800000000 ] - [ 0.0008419200000000, -0.0002915000000000, -0.0003754500000000 ] - [ -0.0001066700000000, -0.0002994800000000, -0.0001887800000000 ] - [ 0.0010043300000000, -0.0008412800000000, 0.0001354600000000 ] - [ -0.0000338600000000, -0.0001541400000000, 0.0001296600000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008034100000000, 0.0005490700000000, 0.0004426200000000 ] - [ 0.0001069000000000, -0.0000045600000000, -0.0002038800000000 ] - [ -0.0001197200000000, 0.0001012400000000, 0.0000214500000000 ] - [ -0.0000868700000000, -0.0001467400000000, 0.0000321700000000 ] - [ -0.0012811900000000, 0.0058922100000000, -0.0046921600000000 ] - [ 0.0001123600000000, 0.0002894900000000, 0.0000277800000000 ] - [ -0.0002095200000000, 0.0001373500000000, -0.0001741600000000 ] - [ 0.0000177600000000, 0.0001636000000000, 0.0000875500000000 ] - [ 0.0001199000000000, -0.0001802100000000, 0.0000456200000000 ] - [ 0.0000190300000000, 0.0004813800000000, -0.0000455400000000 ] - [ 0.0285365900000000, -0.0834790400000000, -0.0085817900000000 ] - [ -0.0000587900000000, -0.0001291500000000, 0.0001253300000000 ] - [ -0.0000483500000000, -0.0000576200000000, 0.0001717100000000 ] - [ 0.0007915800000000, 0.0009153400000000, 0.0007009200000000 ] - [ 0.0022214400000000, 0.0040640800000000, 0.0010670300000000 ] - [ 0.0000270600000000, 0.0002301500000000, 0.0000046200000000 ] - [ -0.0004205400000000, 0.0001653900000000, 0.0000278100000000 ] - [ 0.0000676200000000, 0.0001899800000000, 0.0001464700000000 ] - [ 0.0001406600000000, -0.0000471800000000, 0.0001945400000000 ] - [ 0.0001004700000000, 0.0001284100000000, 0.0001953300000000 ] - [ -0.0000350600000000, 0.0002109900000000, 0.0000944400000000 ] - [ -0.0000895100000000, 0.0000304500000000, 0.0000858400000000 ] - [ -0.0015031200000000, 0.0004641000000000, -0.0001903200000000 ] - [ -0.0002357800000000, 0.0000990100000000, 0.0000180400000000 ] - [ -0.0000980000000000, -0.0001637400000000, -0.0000350700000000 ] - [ -0.0001044700000000, 0.0001201900000000, -0.0001765500000000 ] - [ -0.0001207300000000, -0.0000756700000000, 0.0000434900000000 ] - [ -0.0000791100000000, 0.0000878300000000, 0.0000354300000000 ] - [ 0.0000415100000000, 0.0000359000000000, -0.0001915200000000 ] - [ 0.0000586400000000, 0.0000143200000000, -0.0001755700000000 ] - [ -0.0001069500000000, -0.0000045900000000, 0.0000636900000000 ] - [ -0.0000424700000000, 0.0000837800000000, 0.0000452600000000 ] - [ -0.0000744800000000, 0.0002710500000000, -0.0000969700000000 ] - [ 0.0000071200000000, -0.0000321400000000, -0.0000470700000000 ] - [ 0.0000576500000000, 0.0000695300000000, 0.0000683300000000 ] - [ -0.0000578400000000, -0.0001788400000000, -0.0000107000000000 ] - [ -0.0001362700000000, 0.0000093800000000, -0.0000956600000000 ] - [ -0.0001527000000000, 0.0000099300000000, -0.0000507900000000 ] - [ -0.0001834700000000, -0.0000472000000000, -0.0000926500000000 ] - [ -0.0001149600000000, 0.0000754400000000, -0.0000523500000000 ] - [ 0.0001149800000000, 0.0000464800000000, 0.0001766300000000 ] - [ -0.0001391100000000, -0.0000819900000000, -0.0000124200000000 ] - [ 0.0001105600000000, -0.0000049500000000, -0.0000719600000000 ] - [ 0.0002944200000000, 0.0001346400000000, 0.0000590100000000 ] - [ -0.0003926300000000, 0.0007307200000000, 0.0001924900000000 ] - [ 0.0003357600000000, 0.0006311700000000, -0.0001963200000000 ] - [ 0.0011049000000000, -0.0005835700000000, -0.0013778900000000 ] - [ 0.0001305700000000, -0.0003985600000000, 0.0000286200000000 ] - [ -0.0013758800000000, -0.0008913200000000, -0.0006163400000000 ] - [ 0.0002451100000000, -0.0000345900000000, 0.0000581500000000 ] - [ 0.0002437800000000, -0.0003814500000000, -0.0008573800000000 ] - [ 0.0007123000000000, 0.0019634000000000, -0.0041679500000000 ] - [ -0.0001840300000000, 0.0000521500000000, 0.0001368600000000 ] - [ 0.0000462300000000, 0.0001670000000000, 0.0001646800000000 ] - [ -0.0000220000000000, -0.0001299400000000, -0.0000019200000000 ] - [ -0.0002147100000000, -0.0000941800000000, -0.0000262400000000 ] - [ 0.0000709700000000, 0.0000630800000000, 0.0001553500000000 ] - [ -0.0000713400000000, 0.0003499900000000, -0.0001636400000000 ] - [ 0.0031063800000000, 0.0039852900000000, 0.0039524300000000 ] - [ -0.0005071300000000, -0.0009521000000000, 0.0031647700000000 ] - [ 0.0001760000000000, -0.0003282600000000, -0.0000143200000000 ] - [ 0.0002064500000000, -0.0000093200000000, -0.0001689700000000 ] - [ -0.0001402900000000, 0.0002407000000000, -0.0000431900000000 ] - [ 0.0001670900000000, 0.0004064100000000, 0.0000415900000000 ] - [ 0.0001656300000000, 0.0006141100000000, -0.0011072500000000 ] - [ -0.0129370900000000, 0.0191894000000000, 0.0167972500000000 ] - [ -0.0189613700000000, 0.0480243300000000, -0.0068424100000000 ] - [ -0.0005534700000000, -0.0002665300000000, 0.0009172000000000 ] - [ 0.0000868200000000, -0.0002352400000000, 0.0001366300000000 ] - [ 0.0000395600000000, 0.0016248500000000, 0.0007702500000000 ] - [ 0.0000170000000000, 0.0002451100000000, -0.0002180300000000 ] - [ 0.0003667600000000, -0.0007987200000000, 0.0003097000000000 ] - [ 0.0003053300000000, -0.0002328700000000, -0.0000269600000000 ] - [ 0.0000179800000000, 0.0000253300000000, -0.0000620300000000 ] - [ 0.0000864800000000, -0.0001855600000000, -0.0000421300000000 ] - [ 0.0000572600000000, -0.0003777800000000, -0.0000892000000000 ] - [ 0.0005739700000000, -0.0002258100000000, -0.0001641300000000 ] - [ -0.0000095500000000, 0.0003232200000000, 0.0000432200000000 ] - [ 0.0001888800000000, 0.0002038900000000, 0.0000637200000000 ] - [ 0.0000459400000000, -0.0000306200000000, 0.0000592200000000 ] - [ 0.0001772300000000, -0.0001465500000000, -0.0001124800000000 ] - [ 0.0002183500000000, -0.0000402200000000, -0.0000553000000000 ] - [ -0.0001605800000000, 0.0002489800000000, -0.0000937500000000 ] - [ -0.0007727200000000, 0.0015858800000000, 0.0010757000000000 ] - [ 0.0005883500000000, -0.0019100000000000, -0.0008703700000000 ] - [ -0.0000288600000000, -0.0010089800000000, 0.0000085600000000 ] - [ 0.0003153900000000, -0.0014194100000000, 0.0001321700000000 ] - [ -0.0001086700000000, -0.0004305200000000, 0.0001256200000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009681600000000, -0.0005777600000000, -0.0006035300000000 ] - [ 0.0000327200000000, 0.0000245800000000, 0.0000677300000000 ] - [ -0.0001371700000000, 0.0000703100000000, 0.0000491800000000 ] - [ -0.0001696700000000, -0.0000250000000000, 0.0000387300000000 ] - [ 0.0014164900000000, -0.0063246800000000, 0.0047103200000000 ] - [ 0.0000092600000000, 0.0000539700000000, -0.0000507200000000 ] - [ 0.0000309300000000, -0.0003037400000000, 0.0001849400000000 ] - [ -0.0001971100000000, 0.0000049000000000, -0.0000734700000000 ] - [ 0.0000158700000000, -0.0003905600000000, -0.0001678200000000 ] - [ 0.0001167500000000, 0.0000973000000000, -0.0000747900000000 ] - [ -0.0296398400000000, 0.0853883100000000, 0.0082653200000000 ] - [ 0.0001055900000000, 0.0003940000000000, 0.0001244100000000 ] - [ -0.0000603400000000, -0.0001162000000000, 0.0001284700000000 ] - [ -0.0008952900000000, -0.0007302600000000, -0.0003813900000000 ] - [ -0.0022012500000000, -0.0045150600000000, -0.0008907100000000 ] - [ 0.0000437800000000, 0.0001296800000000, 0.0001693300000000 ] - [ 0.0003870800000000, -0.0005583900000000, 0.0001127100000000 ] - [ -0.0000874400000000, 0.0002165100000000, -0.0000038200000000 ] - [ -0.0000060400000000, 0.0000401500000000, 0.0002881600000000 ] - [ 0.0000325700000000, -0.0001207800000000, 0.0002873200000000 ] - [ -0.0001323700000000, -0.0001827300000000, 0.0000522400000000 ] - [ -0.0000783700000000, -0.0000560900000000, 0.0000612500000000 ] - [ 0.0011050900000000, -0.0008730500000000, 0.0002284300000000 ] - [ -0.0001580300000000, 0.0003068500000000, 0.0000197000000000 ] - [ 0.0000697500000000, 0.0000070300000000, -0.0002371200000000 ] - [ 0.0000742400000000, 0.0000379000000000, -0.0000940000000000 ] - [ -0.0000443700000000, -0.0001580300000000, 0.0000220200000000 ] - [ -0.0000852600000000, 0.0001450400000000, 0.0000310800000000 ] - [ 0.0000848100000000, 0.0000495500000000, -0.0001217800000000 ] - [ 0.0000683800000000, -0.0001000200000000, -0.0001374800000000 ] - [ 0.0000415700000000, -0.0001612900000000, -0.0000262400000000 ] - [ -0.0000227100000000, 0.0000818900000000, -0.0000079100000000 ] - [ 0.0000604200000000, -0.0000520000000000, -0.0000295500000000 ] - [ -0.0000205800000000, -0.0001833100000000, -0.0000778300000000 ] - [ 0.0000348400000000, 0.0001964000000000, 0.0000577300000000 ] - [ 0.0001481800000000, -0.0000903400000000, 0.0001360300000000 ] - [ 0.0000659800000000, -0.0000194200000000, -0.0001259200000000 ] - [ 0.0000816500000000, -0.0000012000000000, -0.0001699400000000 ] - [ 0.0000471400000000, -0.0000172200000000, 0.0000223800000000 ] - [ -0.0000227500000000, -0.0000111400000000, -0.0000204100000000 ] - [ -0.0001888100000000, -0.0001236700000000, -0.0002112700000000 ] - [ 0.0000602300000000, 0.0001610900000000, -0.0000229200000000 ] - [ 0.0003914600000000, -0.0000637000000000, 0.0000779400000000 ] - [ 0.0002122200000000, -0.0000611300000000, -0.0000504100000000 ] - [ 0.0004020100000000, -0.0006352500000000, -0.0003510200000000 ] - [ -0.0003225900000000, -0.0007229300000000, 0.0000385400000000 ] - [ -0.0010260600000000, 0.0009996900000000, 0.0012573500000000 ] - [ -0.0000356400000000, -0.0000234300000000, -0.0001590500000000 ] - [ 0.0016651500000000, 0.0007057500000000, 0.0005492300000000 ] - [ 0.0000442400000000, 0.0002335200000000, -0.0001319800000000 ] - [ 0.0000680800000000, 0.0003662500000000, 0.0010093200000000 ] - [ -0.0003965100000000, -0.0019190200000000, 0.0042739100000000 ] - [ -0.0000901500000000, -0.0001185400000000, 0.0000858100000000 ] - [ -0.0003167100000000, -0.0000975800000000, 0.0000577700000000 ] - [ -0.0000912800000000, 0.0000225400000000, 0.0000151800000000 ] - [ 0.0000975900000000, 0.0001974800000000, 0.0000377900000000 ] - [ 0.0000687200000000, -0.0001272300000000, -0.0001690200000000 ] - [ 0.0002113200000000, -0.0002816800000000, 0.0001470300000000 ] - [ -0.0031445400000000, -0.0036255600000000, -0.0036460200000000 ] - [ 0.0003922300000000, 0.0006612800000000, -0.0029256300000000 ] - [ -0.0000096200000000, 0.0000136200000000, -0.0001990900000000 ] - [ -0.0000387200000000, 0.0003197600000000, -0.0000455800000000 ] - [ 0.0001009700000000, -0.0004375600000000, -0.0001002600000000 ] - [ -0.0002032500000000, -0.0002011500000000, -0.0001883100000000 ] - [ -0.0005036200000000, -0.0003899200000000, 0.0007194600000000 ] - [ 0.0127455300000000, -0.0194230300000000, -0.0173584900000000 ] - [ 0.0197267200000000, -0.0499053200000000, 0.0075166900000000 ] - [ 0.0003539000000000, 0.0001030000000000, -0.0009369000000000 ] - [ -0.0000161700000000, 0.0003764900000000, -0.0002615600000000 ] - [ 0.0000118800000000, -0.0018268000000000, -0.0009245800000000 ] - [ 0.0000139700000000, -0.0002090900000000, 0.0001502400000000 ] - [ -0.0003255300000000, 0.0007580400000000, -0.0003768400000000 ] - [ -0.0001001300000000, 0.0002044200000000, 0.0000614900000000 ] - [ 0.0001820000000000, -0.0000001900000000, 0.0000932900000000 ] - [ 0.0002381100000000, 0.0002405400000000, -0.0001515800000000 ] - [ 0.0002656000000000, 0.0003149300000000, -0.0001051500000000 ] - [ -0.0007640900000000, -0.0000335500000000, 0.0002695900000000 ] - [ -0.0001838700000000, -0.0000599300000000, 0.0000598600000000 ] - [ -0.0001793600000000, -0.0000411400000000, -0.0000023200000000 ] - [ -0.0000318600000000, -0.0001319900000000, -0.0000010800000000 ] - [ -0.0000215900000000, 0.0000504500000000, 0.0000134300000000 ] - [ -0.0000600100000000, 0.0001334600000000, -0.0000450500000000 ] - [ -0.0000408500000000, -0.0001833000000000, 0.0001463000000000 ] - [ 0.0005783700000000, -0.0016555500000000, -0.0010327700000000 ] - [ -0.0006473100000000, 0.0017235400000000, 0.0009559200000000 ] - [ -0.0000336600000000, 0.0011994300000000, 0.0000687600000000 ] - [ -0.0002745900000000, 0.0013710000000000, 0.0000136400000000 ] - [ 0.0001335600000000, 0.0004658300000000, 0.0000152700000000 ]- atom: 11 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ -0.0002900700000000, 0.0004537900000000, -0.0004055900000000 ] - [ 0.0000500100000000, -0.0000151500000000, -0.0001029300000000 ] - [ -0.0001096300000000, 0.0001064100000000, -0.0000212100000000 ] - [ -0.0001008100000000, -0.0001084200000000, 0.0000430000000000 ] - [ 0.0011632800000000, -0.0016985800000000, -0.0007318600000000 ] - [ 0.0000319000000000, 0.0001589100000000, 0.0001217100000000 ] - [ -0.0001279800000000, -0.0000635200000000, 0.0000150100000000 ] - [ -0.0000829800000000, 0.0001437800000000, -0.0000926400000000 ] - [ 0.0001512400000000, -0.0001690500000000, -0.0001476200000000 ] - [ 0.0000689200000000, 0.0003300500000000, -0.0000347800000000 ] - [ 0.0139913900000000, -0.0081367200000000, -0.0685146300000000 ] - [ -0.0000296000000000, 0.0001376400000000, 0.0003613700000000 ] - [ -0.0000164100000000, -0.0000258600000000, 0.0001879700000000 ] - [ 0.0019532100000000, 0.0034084400000000, 0.0036308900000000 ] - [ -0.0006784800000000, -0.0021809800000000, -0.0001667400000000 ] - [ 0.0000313100000000, 0.0001466200000000, 0.0001798900000000 ] - [ -0.0000862200000000, -0.0001677300000000, -0.0000193100000000 ] - [ 0.0000051900000000, 0.0001530700000000, 0.0003015400000000 ] - [ -0.0000226200000000, -0.0000279500000000, 0.0002905900000000 ] - [ 0.0001482200000000, 0.0000055800000000, 0.0001743100000000 ] - [ -0.0000908100000000, 0.0000219500000000, 0.0000410400000000 ] - [ -0.0000787500000000, -0.0000151700000000, 0.0001062500000000 ] - [ 0.0003054000000000, -0.0001075700000000, 0.0000849700000000 ] - [ -0.0002479600000000, 0.0001837500000000, 0.0000573300000000 ] - [ -0.0001102900000000, -0.0001402600000000, -0.0000871000000000 ] - [ 0.0000223300000000, 0.0000732500000000, -0.0001842600000000 ] - [ -0.0000995700000000, -0.0000880900000000, -0.0000167700000000 ] - [ -0.0000725400000000, 0.0001312400000000, 0.0001254200000000 ] - [ 0.0000515400000000, 0.0000322000000000, -0.0001601600000000 ] - [ 0.0000670200000000, -0.0000413400000000, -0.0001537000000000 ] - [ -0.0000449300000000, -0.0000863500000000, 0.0000007200000000 ] - [ -0.0000527800000000, 0.0000620600000000, 0.0000756400000000 ] - [ -0.0000160300000000, 0.0001414500000000, -0.0000807500000000 ] - [ -0.0000083600000000, -0.0001013200000000, -0.0000384900000000 ] - [ 0.0000499800000000, 0.0001268300000000, 0.0000902400000000 ] - [ -0.0000432000000000, -0.0001970200000000, 0.0000124600000000 ] - [ -0.0000578100000000, 0.0000045000000000, -0.0001361300000000 ] - [ -0.0001911100000000, 0.0000634400000000, -0.0000047900000000 ] - [ -0.0000559700000000, -0.0000554600000000, 0.0000152500000000 ] - [ -0.0000979400000000, 0.0000357100000000, -0.0000472600000000 ] - [ 0.0000440500000000, 0.0000030100000000, 0.0001334700000000 ] - [ -0.0000174400000000, -0.0000012900000000, -0.0001436200000000 ] - [ 0.0001558200000000, 0.0000074100000000, -0.0001441400000000 ] - [ 0.0002689200000000, 0.0000734800000000, 0.0000552700000000 ] - [ -0.0001516400000000, 0.0003087500000000, 0.0000641500000000 ] - [ 0.0001468500000000, 0.0001884200000000, -0.0000348600000000 ] - [ -0.0023337300000000, -0.0002863500000000, 0.0004060200000000 ] - [ 0.0000959400000000, -0.0002410100000000, 0.0000463800000000 ] - [ 0.0024534500000000, -0.0012161800000000, 0.0007400600000000 ] - [ 0.0001563300000000, -0.0000291700000000, 0.0001443400000000 ] - [ 0.0000506200000000, -0.0013768000000000, 0.0052095500000000 ] - [ 0.0001884100000000, -0.0028758600000000, 0.0040061400000000 ] - [ -0.0001466200000000, -0.0000361100000000, 0.0001010000000000 ] - [ -0.0000788000000000, 0.0000747900000000, 0.0001395900000000 ] - [ -0.0000555500000000, -0.0000653800000000, 0.0000352700000000 ] - [ -0.0001139700000000, -0.0000016000000000, -0.0000728200000000 ] - [ 0.0000166500000000, 0.0000291400000000, 0.0001101900000000 ] - [ 0.0000493800000000, 0.0001152800000000, -0.0000944500000000 ] - [ 0.0022392300000000, 0.0032065200000000, 0.0023689900000000 ] - [ -0.0014364200000000, 0.0000785200000000, 0.0047116100000000 ] - [ 0.0000888400000000, -0.0001698700000000, -0.0000426700000000 ] - [ 0.0001507700000000, 0.0001101000000000, -0.0001512000000000 ] - [ -0.0001992800000000, -0.0001304000000000, -0.0000893300000000 ] - [ 0.0002627300000000, 0.0002282400000000, -0.0001667500000000 ] - [ -0.0002202400000000, -0.0003823700000000, -0.0008739400000000 ] - [ -0.0188074200000000, 0.0157393300000000, 0.0393768800000000 ] - [ 0.0003461200000000, -0.0066610400000000, 0.0110697400000000 ] - [ 0.0001343600000000, 0.0001976000000000, -0.0007110200000000 ] - [ 0.0000308200000000, -0.0000080600000000, -0.0000565600000000 ] - [ 0.0000601400000000, 0.0007361800000000, 0.0004728600000000 ] - [ 0.0007149600000000, 0.0002582700000000, -0.0003786400000000 ] - [ -0.0002428800000000, -0.0001876100000000, 0.0003388500000000 ] - [ 0.0001999300000000, -0.0000661000000000, 0.0000372800000000 ] - [ -0.0000450700000000, -0.0000524500000000, -0.0001017900000000 ] - [ 0.0001905300000000, 0.0000446100000000, -0.0001176000000000 ] - [ 0.0000800400000000, -0.0001061600000000, -0.0000294800000000 ] - [ 0.0001449100000000, -0.0001623900000000, 0.0000844500000000 ] - [ -0.0000234500000000, 0.0001576100000000, -0.0000674600000000 ] - [ 0.0000687500000000, 0.0000931000000000, 0.0000880100000000 ] - [ 0.0000257400000000, -0.0000109500000000, 0.0000114500000000 ] - [ 0.0001052600000000, -0.0000576400000000, -0.0000275700000000 ] - [ 0.0001597600000000, -0.0000005900000000, -0.0001824200000000 ] - [ -0.0000915900000000, 0.0001392300000000, -0.0000971400000000 ] - [ -0.0001863500000000, 0.0010609000000000, 0.0001351000000000 ] - [ -0.0005178900000000, 0.0009952400000000, -0.0004917600000000 ] - [ -0.0000214400000000, -0.0003453500000000, -0.0000256900000000 ] - [ 0.0008050500000000, -0.0017829100000000, -0.0005610000000000 ] - [ -0.0000227100000000, -0.0000862000000000, 0.0000064100000000 ]- atom: 11 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0004299200000000, -0.0004722300000000, 0.0002846600000000 ] - [ 0.0000917000000000, 0.0000349700000000, -0.0000343500000000 ] - [ -0.0001491600000000, 0.0000665100000000, 0.0000894900000000 ] - [ -0.0001586700000000, -0.0000636800000000, 0.0000249200000000 ] - [ -0.0010561700000000, 0.0014066800000000, 0.0006882200000000 ] - [ 0.0000899200000000, 0.0001751700000000, -0.0001499200000000 ] - [ -0.0000499500000000, -0.0001050400000000, -0.0000036900000000 ] - [ -0.0000946200000000, 0.0000245400000000, 0.0001067000000000 ] - [ -0.0000115500000000, -0.0004083700000000, 0.0000262500000000 ] - [ 0.0000717800000000, 0.0002446500000000, -0.0000869600000000 ] - [ -0.0150249000000000, 0.0087452700000000, 0.0706287800000000 ] - [ 0.0000824300000000, 0.0001383200000000, -0.0001149700000000 ] - [ -0.0000926500000000, -0.0001464300000000, 0.0001141900000000 ] - [ -0.0021107600000000, -0.0032952400000000, -0.0034091300000000 ] - [ 0.0007575900000000, 0.0018487700000000, 0.0003300200000000 ] - [ 0.0000417600000000, 0.0002119100000000, -0.0000117800000000 ] - [ 0.0000607000000000, -0.0002399000000000, 0.0001527100000000 ] - [ -0.0000379300000000, 0.0002509800000000, -0.0001680600000000 ] - [ 0.0001536000000000, 0.0000239000000000, 0.0001967600000000 ] - [ -0.0000179500000000, -0.0000033800000000, 0.0003145600000000 ] - [ -0.0000812900000000, 0.0000012800000000, 0.0001031200000000 ] - [ -0.0000933100000000, -0.0000094400000000, 0.0000378800000000 ] - [ -0.0006966700000000, -0.0003058200000000, -0.0000445900000000 ] - [ -0.0001517400000000, 0.0002212100000000, -0.0000210200000000 ] - [ 0.0000790600000000, -0.0000193000000000, -0.0001842600000000 ] - [ -0.0000528100000000, 0.0000870200000000, -0.0000833200000000 ] - [ -0.0000655700000000, -0.0001380100000000, 0.0000776500000000 ] - [ -0.0000932200000000, 0.0000949100000000, -0.0000633900000000 ] - [ 0.0000795800000000, 0.0000609000000000, -0.0001527000000000 ] - [ 0.0000648800000000, -0.0000528500000000, -0.0001579800000000 ] - [ -0.0000140400000000, -0.0000879800000000, 0.0000349200000000 ] - [ -0.0000074100000000, 0.0001106500000000, -0.0000386400000000 ] - [ 0.0000117600000000, 0.0000724200000000, -0.0000398000000000 ] - [ 0.0000033800000000, -0.0001143300000000, -0.0000824000000000 ] - [ 0.0000478100000000, 0.0001402200000000, 0.0000393000000000 ] - [ 0.0001423200000000, -0.0000695700000000, 0.0001183600000000 ] - [ -0.0000097000000000, -0.0000112300000000, -0.0000915200000000 ] - [ 0.0001220500000000, -0.0000563500000000, -0.0002223200000000 ] - [ -0.0000801700000000, -0.0000041300000000, -0.0000769700000000 ] - [ -0.0000380700000000, 0.0000233600000000, -0.0000150600000000 ] - [ -0.0001190700000000, -0.0000778700000000, -0.0001646000000000 ] - [ -0.0000567200000000, 0.0000763100000000, 0.0001123500000000 ] - [ 0.0003523500000000, -0.0000791800000000, 0.0001483300000000 ] - [ 0.0002382700000000, -0.0000036700000000, -0.0000516700000000 ] - [ 0.0001531200000000, -0.0002095800000000, -0.0002180900000000 ] - [ -0.0001447300000000, -0.0002856400000000, -0.0001197500000000 ] - [ 0.0024371400000000, 0.0007152400000000, -0.0005353900000000 ] - [ -0.0000118900000000, -0.0001710600000000, -0.0001732200000000 ] - [ -0.0021538200000000, 0.0010020300000000, -0.0008102400000000 ] - [ 0.0001274800000000, 0.0002369700000000, -0.0002205200000000 ] - [ 0.0002628400000000, 0.0013145800000000, -0.0049191200000000 ] - [ 0.0001310900000000, 0.0029676200000000, -0.0039272700000000 ] - [ -0.0001297500000000, -0.0000358200000000, 0.0001232600000000 ] - [ -0.0001980800000000, -0.0000052300000000, 0.0000864600000000 ] - [ -0.0000550000000000, -0.0000370200000000, -0.0000257700000000 ] - [ 0.0000043800000000, 0.0001058200000000, 0.0000811900000000 ] - [ 0.0001210000000000, -0.0000943700000000, -0.0001306400000000 ] - [ 0.0000871400000000, -0.0000511000000000, 0.0000760200000000 ] - [ -0.0023154100000000, -0.0028667100000000, -0.0021307200000000 ] - [ 0.0013372800000000, -0.0003968900000000, -0.0045081800000000 ] - [ 0.0000820200000000, -0.0001395300000000, -0.0001696500000000 ] - [ 0.0000191400000000, 0.0002009100000000, -0.0000617000000000 ] - [ 0.0001594400000000, -0.0000704500000000, -0.0000560400000000 ] - [ -0.0003045800000000, -0.0000284600000000, 0.0000204700000000 ] - [ -0.0001149900000000, 0.0005904900000000, 0.0005032700000000 ] - [ 0.0194810200000000, -0.0166940500000000, -0.0415421900000000 ] - [ -0.0004868100000000, 0.0066499900000000, -0.0110871200000000 ] - [ -0.0003236100000000, -0.0003564900000000, 0.0006786800000000 ] - [ 0.0000409400000000, 0.0001511200000000, -0.0000666800000000 ] - [ 0.0000097800000000, -0.0008783300000000, -0.0005988400000000 ] - [ -0.0006738200000000, -0.0002217900000000, 0.0003133300000000 ] - [ 0.0002664800000000, 0.0001607300000000, -0.0004129200000000 ] - [ -0.0000062400000000, 0.0000368700000000, -0.0000040600000000 ] - [ 0.0002434500000000, 0.0000840500000000, 0.0001304700000000 ] - [ 0.0001261400000000, 0.0000185400000000, -0.0000749000000000 ] - [ 0.0002385200000000, 0.0000470100000000, -0.0001665400000000 ] - [ -0.0003468200000000, -0.0000909200000000, 0.0000204200000000 ] - [ -0.0001719400000000, 0.0000951100000000, 0.0001675800000000 ] - [ -0.0000592600000000, 0.0000658700000000, -0.0000198600000000 ] - [ -0.0000119000000000, -0.0001502500000000, 0.0000522900000000 ] - [ 0.0000512600000000, -0.0000417400000000, -0.0000766900000000 ] - [ -0.0000018800000000, 0.0000999500000000, 0.0000764100000000 ] - [ -0.0001145500000000, -0.0000761000000000, 0.0001456200000000 ] - [ -0.0000390700000000, -0.0011259000000000, -0.0000747900000000 ] - [ 0.0004770800000000, -0.0012200900000000, 0.0005590900000000 ] - [ -0.0000349000000000, 0.0005451800000000, 0.0001043100000000 ] - [ -0.0007662400000000, 0.0017395800000000, 0.0006951600000000 ] - [ 0.0000517500000000, 0.0001238500000000, 0.0001367900000000 ]- atom: 13 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000900100000000, -0.0000117800000000, -0.0000818200000000 ] - [ 0.0004973100000000, 0.0005580200000000, 0.0006835900000000 ] - [ -0.0001748800000000, -0.0000033200000000, 0.0000034500000000 ] - [ -0.0002012300000000, -0.0001045600000000, -0.0000454600000000 ] - [ 0.0000346600000000, -0.0001250500000000, -0.0000469000000000 ] - [ -0.0000780800000000, 0.0001533400000000, 0.0001279000000000 ] - [ 0.0004679900000000, -0.0002827400000000, -0.0005024900000000 ] - [ -0.0001074300000000, 0.0001090400000000, 0.0000778100000000 ] - [ 0.0000327600000000, -0.0002960600000000, -0.0000635700000000 ] - [ -0.0010917900000000, 0.0044772500000000, 0.0005332300000000 ] - [ -0.0000585000000000, -0.0001300300000000, 0.0001617500000000 ] - [ -0.0007468500000000, -0.0007119300000000, 0.0021571400000000 ] - [ -0.0865133900000000, -0.0031873900000000, -0.0301654500000000 ] - [ -0.0001273200000000, 0.0000773200000000, 0.0001431500000000 ] - [ -0.0000767800000000, -0.0001923900000000, 0.0001263300000000 ] - [ -0.0012496800000000, -0.0011852100000000, -0.0011832300000000 ] - [ 0.0006226300000000, -0.0003391800000000, 0.0012026700000000 ] - [ -0.0001364300000000, 0.0002446900000000, -0.0000172200000000 ] - [ -0.0001255500000000, -0.0000500800000000, 0.0002915800000000 ] - [ 0.0000471800000000, -0.0000524300000000, 0.0003390000000000 ] - [ -0.0000450900000000, -0.0000528700000000, 0.0001773000000000 ] - [ -0.0001164600000000, 0.0000077600000000, -0.0000061100000000 ] - [ -0.0001554200000000, -0.0001999000000000, 0.0000736900000000 ] - [ 0.0009149800000000, 0.0017218100000000, -0.0006764700000000 ] - [ 0.0000451000000000, -0.0000314000000000, -0.0002182100000000 ] - [ 0.0000099500000000, 0.0001195900000000, 0.0000115100000000 ] - [ 0.0006866300000000, -0.0001432400000000, 0.0008947100000000 ] - [ -0.0000401300000000, 0.0001439900000000, -0.0000391000000000 ] - [ 0.0001550300000000, -0.0000481300000000, -0.0001618600000000 ] - [ 0.0001193400000000, -0.0000693600000000, -0.0000882500000000 ] - [ 0.0001341100000000, -0.0001652000000000, -0.0000220300000000 ] - [ 0.0000532800000000, 0.0001268700000000, -0.0000283000000000 ] - [ 0.0000561900000000, 0.0000777300000000, -0.0000505200000000 ] - [ 0.0001468400000000, -0.0001066600000000, -0.0000950700000000 ] - [ 0.0003119400000000, -0.0000357900000000, 0.0001563800000000 ] - [ 0.0001679000000000, -0.0000437700000000, 0.0001774800000000 ] - [ 0.0003150900000000, 0.0000793400000000, -0.0002452500000000 ] - [ 0.0003633500000000, -0.0001176700000000, -0.0002721500000000 ] - [ 0.0001049200000000, -0.0000095300000000, 0.0000107200000000 ] - [ 0.0001001900000000, 0.0000044800000000, 0.0000561700000000 ] - [ 0.0000078300000000, 0.0000584900000000, -0.0001138800000000 ] - [ 0.0000333200000000, 0.0000464000000000, -0.0000177300000000 ] - [ 0.0003041700000000, -0.0000263500000000, 0.0000138100000000 ] - [ 0.0009061400000000, 0.0003350200000000, 0.0003778400000000 ] - [ 0.0000080300000000, 0.0000566400000000, -0.0000667500000000 ] - [ 0.0001487100000000, 0.0000798000000000, -0.0001835200000000 ] - [ 0.0000368800000000, 0.0001459600000000, -0.0000577600000000 ] - [ 0.0059779700000000, -0.0044732000000000, 0.0001981200000000 ] - [ 0.0000666600000000, -0.0002351400000000, -0.0001366200000000 ] - [ 0.0001288800000000, 0.0000385100000000, 0.0001059500000000 ] - [ -0.0002432800000000, -0.0007794500000000, -0.0000317900000000 ] - [ 0.0000018200000000, -0.0000138300000000, 0.0002482900000000 ] - [ 0.0019126800000000, -0.0048130500000000, -0.0003456300000000 ] - [ -0.0002082200000000, 0.0000055300000000, 0.0000797200000000 ] - [ 0.0002767300000000, -0.0002164600000000, 0.0001377000000000 ] - [ 0.0000540400000000, 0.0000755200000000, 0.0000261600000000 ] - [ 0.0002166200000000, 0.0001954100000000, 0.0000083000000000 ] - [ 0.0002023700000000, 0.0000699400000000, -0.0001605600000000 ] - [ 0.0041899600000000, 0.0000999500000000, -0.0024792300000000 ] - [ -0.0000346800000000, -0.0001995500000000, 0.0002206000000000 ] - [ -0.0001574500000000, -0.0002142900000000, -0.0000743300000000 ] - [ -0.0000924700000000, 0.0000970700000000, -0.0002516000000000 ] - [ -0.0005116300000000, 0.0000395400000000, 0.0002197200000000 ] - [ -0.0001878500000000, 0.0001751000000000, -0.0001594400000000 ] - [ 0.0527199400000000, -0.0084437500000000, 0.0184042500000000 ] - [ -0.0000470700000000, -0.0000588200000000, -0.0003174100000000 ] - [ 0.0001339400000000, -0.0000418300000000, -0.0000863000000000 ] - [ 0.0020088300000000, 0.0008779200000000, 0.0005781700000000 ] - [ 0.0213648000000000, 0.0162271400000000, 0.0119286900000000 ] - [ 0.0002412400000000, -0.0000685000000000, -0.0001270500000000 ] - [ 0.0004190100000000, -0.0007997000000000, -0.0001905700000000 ] - [ -0.0000383500000000, -0.0002786900000000, -0.0006928400000000 ] - [ -0.0008443300000000, 0.0005701400000000, -0.0006252600000000 ] - [ 0.0002469200000000, -0.0000612400000000, 0.0000736000000000 ] - [ -0.0000077400000000, 0.0011232500000000, 0.0005122800000000 ] - [ 0.0002243400000000, 0.0000440200000000, -0.0001329400000000 ] - [ -0.0004237800000000, -0.0002178200000000, -0.0003565300000000 ] - [ -0.0010759300000000, -0.0000193100000000, 0.0002178300000000 ] - [ -0.0002798000000000, 0.0001819300000000, 0.0000378500000000 ] - [ -0.0000904200000000, -0.0001871500000000, -0.0000960500000000 ] - [ -0.0002678100000000, -0.0000766300000000, 0.0000749400000000 ] - [ -0.0003119900000000, 0.0001105300000000, 0.0000601400000000 ] - [ -0.0013333800000000, 0.0003428400000000, 0.0000451000000000 ] - [ -0.0003138000000000, 0.0000419500000000, 0.0000943300000000 ] - [ -0.0001037600000000, -0.0000737800000000, -0.0000983300000000 ] - [ 0.0019217000000000, 0.0014516900000000, 0.0003222300000000 ] - [ 0.0000513900000000, -0.0000863900000000, 0.0001195000000000 ] - [ -0.0016635900000000, -0.0013109300000000, -0.0006990700000000 ]- atom: 13 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000509500000000, -0.0000080400000000, -0.0000546500000000 ] - [ -0.0003497300000000, -0.0005165200000000, -0.0007992600000000 ] - [ -0.0000827800000000, 0.0001760200000000, 0.0000660600000000 ] - [ -0.0000565000000000, -0.0000674700000000, 0.0001158300000000 ] - [ 0.0000874200000000, -0.0002137800000000, 0.0000225800000000 ] - [ 0.0001983200000000, 0.0001834200000000, -0.0001557800000000 ] - [ -0.0006553900000000, 0.0000926500000000, 0.0005218600000000 ] - [ -0.0000703500000000, 0.0000579200000000, -0.0000664900000000 ] - [ 0.0001061000000000, -0.0002813800000000, -0.0000566500000000 ] - [ 0.0012076400000000, -0.0038964900000000, -0.0006689000000000 ] - [ 0.0001078600000000, -0.0001398300000000, 0.0000871800000000 ] - [ 0.0007716800000000, 0.0009730000000000, -0.0019067100000000 ] - [ 0.0840301300000000, 0.0035495100000000, 0.0294344500000000 ] - [ 0.0000192900000000, 0.0000952200000000, 0.0001594000000000 ] - [ 0.0001509300000000, -0.0001660100000000, 0.0000452400000000 ] - [ 0.0013235000000000, 0.0015294700000000, 0.0013282200000000 ] - [ -0.0006426900000000, -0.0000682000000000, -0.0010646100000000 ] - [ 0.0001131200000000, 0.0001609200000000, 0.0001553500000000 ] - [ 0.0002611700000000, 0.0000455100000000, 0.0001933500000000 ] - [ 0.0000871900000000, 0.0000576000000000, 0.0001450400000000 ] - [ -0.0001238900000000, 0.0000790600000000, -0.0000323400000000 ] - [ -0.0000525400000000, -0.0000333900000000, 0.0001526100000000 ] - [ -0.0002402800000000, -0.0002047300000000, -0.0000376500000000 ] - [ -0.0013250400000000, -0.0013414100000000, 0.0007273600000000 ] - [ -0.0000739500000000, -0.0001275600000000, -0.0000510200000000 ] - [ -0.0000388900000000, 0.0000398400000000, -0.0002803800000000 ] - [ -0.0008757500000000, -0.0000865600000000, -0.0008544400000000 ] - [ -0.0001246400000000, 0.0000847700000000, 0.0001042300000000 ] - [ -0.0000265700000000, 0.0001379300000000, -0.0001509000000000 ] - [ 0.0000105300000000, -0.0000201600000000, -0.0002240200000000 ] - [ -0.0001968300000000, -0.0000043000000000, 0.0000585600000000 ] - [ -0.0001162700000000, 0.0000417400000000, 0.0000662600000000 ] - [ -0.0000652600000000, 0.0001389900000000, -0.0000730900000000 ] - [ -0.0001569100000000, -0.0001097100000000, -0.0000278100000000 ] - [ -0.0002161200000000, 0.0003020000000000, -0.0000284200000000 ] - [ -0.0000736300000000, -0.0002243800000000, -0.0000507300000000 ] - [ -0.0003862000000000, -0.0000871200000000, 0.0000205500000000 ] - [ -0.0004350400000000, 0.0001254800000000, 0.0000497500000000 ] - [ -0.0002425200000000, -0.0000528600000000, -0.0000774000000000 ] - [ -0.0002378400000000, 0.0000576800000000, -0.0001243100000000 ] - [ -0.0000925700000000, -0.0001325700000000, 0.0000793000000000 ] - [ -0.0001103400000000, 0.0000301600000000, -0.0000155300000000 ] - [ 0.0002009500000000, -0.0000446900000000, -0.0000083400000000 ] - [ -0.0003986900000000, -0.0002632400000000, -0.0003722400000000 ] - [ -0.0000019200000000, 0.0000406600000000, -0.0000888100000000 ] - [ -0.0001455300000000, -0.0001811900000000, 0.0000279500000000 ] - [ 0.0000521100000000, 0.0002696900000000, -0.0000706700000000 ] - [ -0.0058017400000000, 0.0040181000000000, -0.0003250000000000 ] - [ 0.0002182300000000, 0.0000308500000000, 0.0000612200000000 ] - [ 0.0001539100000000, 0.0001668100000000, -0.0001841400000000 ] - [ 0.0005535400000000, 0.0007588900000000, 0.0001888800000000 ] - [ 0.0003159900000000, 0.0000375900000000, -0.0000899700000000 ] - [ -0.0022021500000000, 0.0047963500000000, 0.0005712300000000 ] - [ -0.0000658600000000, 0.0000636200000000, 0.0001445600000000 ] - [ -0.0003903600000000, 0.0001124400000000, -0.0001260200000000 ] - [ -0.0001681800000000, 0.0000291800000000, -0.0000157500000000 ] - [ -0.0000796600000000, -0.0002627900000000, -0.0000255300000000 ] - [ -0.0000650400000000, -0.0000044700000000, 0.0001471100000000 ] - [ -0.0042181000000000, 0.0001899200000000, 0.0026553600000000 ] - [ -0.0000687400000000, -0.0001059500000000, 0.0000139300000000 ] - [ 0.0003298100000000, -0.0000963200000000, -0.0001387300000000 ] - [ 0.0002634100000000, 0.0002141400000000, 0.0000380800000000 ] - [ 0.0004749700000000, -0.0002414900000000, -0.0003632900000000 ] - [ 0.0001513800000000, 0.0000272200000000, 0.0000138600000000 ] - [ -0.0509012400000000, 0.0078972100000000, -0.0178825700000000 ] - [ -0.0002896900000000, -0.0001574300000000, -0.0000637500000000 ] - [ -0.0003238500000000, 0.0001997100000000, 0.0000516600000000 ] - [ -0.0021873400000000, -0.0010231900000000, -0.0005969700000000 ] - [ -0.0212222500000000, -0.0158347800000000, -0.0118673900000000 ] - [ -0.0001737100000000, -0.0000765400000000, 0.0000022500000000 ] - [ -0.0003982800000000, 0.0008399400000000, 0.0001268000000000 ] - [ 0.0000644300000000, 0.0002418500000000, 0.0006225100000000 ] - [ 0.0010433800000000, -0.0006057100000000, 0.0006701500000000 ] - [ -0.0000506300000000, 0.0000908000000000, -0.0000440000000000 ] - [ 0.0003306200000000, -0.0010720900000000, -0.0007119600000000 ] - [ 0.0000931300000000, -0.0001041100000000, -0.0000615800000000 ] - [ 0.0002335600000000, -0.0000376800000000, 0.0004684100000000 ] - [ 0.0008874900000000, 0.0002778700000000, -0.0001187300000000 ] - [ 0.0002920600000000, -0.0000197700000000, 0.0000285100000000 ] - [ 0.0001038800000000, 0.0000272600000000, 0.0001584400000000 ] - [ 0.0004302600000000, -0.0000223300000000, -0.0001780700000000 ] - [ 0.0004752100000000, -0.0000116400000000, -0.0001641500000000 ] - [ 0.0011411300000000, -0.0002746800000000, 0.0000242800000000 ] - [ 0.0001127100000000, -0.0001065200000000, -0.0000407300000000 ] - [ 0.0000423400000000, -0.0001204300000000, 0.0001767000000000 ] - [ -0.0019332800000000, -0.0012215400000000, -0.0002493900000000 ] - [ -0.0000229900000000, 0.0000522500000000, 0.0000214200000000 ] - [ 0.0016873700000000, 0.0013297900000000, 0.0008424300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000866500000000, -0.0000556800000000, -0.0000751600000000 ] - [ 0.0006750700000000, -0.0003188500000000, 0.0002794400000000 ] - [ -0.0001357200000000, 0.0000877600000000, 0.0000630700000000 ] - [ -0.0001340400000000, -0.0000812800000000, -0.0000020200000000 ] - [ 0.0000189600000000, 0.0000063900000000, -0.0000316000000000 ] - [ 0.0000944000000000, 0.0000182700000000, 0.0000109500000000 ] - [ 0.0026489400000000, 0.0023192400000000, -0.0015073900000000 ] - [ -0.0000523500000000, 0.0001577100000000, 0.0001009100000000 ] - [ 0.0000961100000000, -0.0002009200000000, -0.0000709100000000 ] - [ 0.0014497900000000, 0.0059748400000000, 0.0020955400000000 ] - [ -0.0000208800000000, -0.0001062300000000, 0.0001841200000000 ] - [ -0.0019063400000000, 0.0009581000000000, -0.0032154900000000 ] - [ -0.0038629100000000, -0.0624476700000000, -0.0129707100000000 ] - [ -0.0000465400000000, 0.0001135200000000, 0.0001608800000000 ] - [ 0.0000426300000000, -0.0001431900000000, 0.0001169800000000 ] - [ -0.0001162300000000, 0.0005131500000000, 0.0030511200000000 ] - [ 0.0001082000000000, -0.0001785100000000, -0.0002611100000000 ] - [ 0.0000240000000000, 0.0002692100000000, 0.0000237300000000 ] - [ 0.0000972900000000, 0.0001921300000000, 0.0002789000000000 ] - [ 0.0000034400000000, -0.0000424600000000, 0.0003124600000000 ] - [ -0.0001022300000000, -0.0000462000000000, 0.0000220500000000 ] - [ -0.0001423000000000, 0.0001209200000000, 0.0000653300000000 ] - [ -0.0001817400000000, -0.0002414100000000, 0.0000392200000000 ] - [ 0.0007851300000000, 0.0013178800000000, -0.0007087700000000 ] - [ 0.0000721800000000, -0.0000261100000000, -0.0002075900000000 ] - [ -0.0000299900000000, 0.0000835100000000, -0.0000760200000000 ] - [ -0.0000264000000000, -0.0002357000000000, 0.0001560700000000 ] - [ -0.0000728400000000, 0.0001720200000000, 0.0000202200000000 ] - [ 0.0000241900000000, 0.0001562800000000, -0.0001589900000000 ] - [ 0.0000686900000000, -0.0000655600000000, -0.0001208300000000 ] - [ -0.0000199100000000, -0.0001608300000000, -0.0000546400000000 ] - [ -0.0000100800000000, 0.0001184200000000, 0.0000133800000000 ] - [ -0.0000044200000000, 0.0001013100000000, -0.0000567100000000 ] - [ -0.0000331600000000, 0.0000121500000000, -0.0000211900000000 ] - [ 0.0000514700000000, 0.0001622900000000, 0.0000725900000000 ] - [ 0.0000497200000000, -0.0001440700000000, 0.0000902500000000 ] - [ -0.0001174900000000, -0.0000674100000000, -0.0000535800000000 ] - [ 0.0000474300000000, 0.0000447900000000, -0.0001591100000000 ] - [ -0.0000524800000000, 0.0000029000000000, -0.0000344300000000 ] - [ -0.0000582700000000, 0.0000154900000000, -0.0000157600000000 ] - [ 0.0000675300000000, -0.0001362400000000, -0.0000910400000000 ] - [ -0.0000545100000000, 0.0000617000000000, -0.0000090800000000 ] - [ 0.0002371500000000, 0.0000025400000000, -0.0000156000000000 ] - [ 0.0004793600000000, 0.0001525400000000, 0.0001000100000000 ] - [ -0.0000320000000000, 0.0001164300000000, -0.0000545400000000 ] - [ 0.0000963500000000, -0.0001458300000000, -0.0000914000000000 ] - [ 0.0000318400000000, 0.0002250800000000, -0.0000484400000000 ] - [ -0.0013893700000000, -0.0008706400000000, -0.0009801600000000 ] - [ 0.0001254500000000, -0.0000543500000000, 0.0000456500000000 ] - [ 0.0001590700000000, -0.0000439700000000, 0.0000431500000000 ] - [ -0.0011150600000000, 0.0034370100000000, 0.0003288500000000 ] - [ 0.0001244300000000, -0.0000563800000000, 0.0001581600000000 ] - [ -0.0033388400000000, 0.0050298800000000, 0.0000089600000000 ] - [ -0.0001268200000000, 0.0000489800000000, 0.0001152600000000 ] - [ 0.0000107200000000, -0.0001034600000000, 0.0000207100000000 ] - [ -0.0000725500000000, 0.0000541000000000, 0.0000020500000000 ] - [ 0.0001495400000000, 0.0000930400000000, 0.0000432400000000 ] - [ 0.0000890400000000, 0.0000518500000000, -0.0000664600000000 ] - [ -0.0018249500000000, 0.0002625300000000, 0.0011554200000000 ] - [ -0.0000489500000000, -0.0001159500000000, 0.0000851500000000 ] - [ 0.0000673900000000, -0.0002096900000000, -0.0000566200000000 ] - [ 0.0000636900000000, 0.0001244200000000, -0.0001632600000000 ] - [ 0.0000998500000000, -0.0001307100000000, 0.0000333600000000 ] - [ -0.0000060100000000, 0.0001520900000000, -0.0000946400000000 ] - [ -0.0074158800000000, 0.0119733300000000, -0.0010873000000000 ] - [ -0.0001859600000000, -0.0000697900000000, -0.0002140200000000 ] - [ 0.0000391400000000, -0.0002212600000000, -0.0005873300000000 ] - [ 0.0007024600000000, 0.0005071800000000, 0.0001003100000000 ] - [ 0.0149426600000000, 0.0337730100000000, 0.0148677800000000 ] - [ 0.0000242700000000, -0.0001845700000000, -0.0001210400000000 ] - [ -0.0004715400000000, -0.0006667800000000, 0.0000922600000000 ] - [ -0.0000252100000000, 0.0000330100000000, -0.0002476700000000 ] - [ -0.0000431900000000, 0.0004077800000000, 0.0002485300000000 ] - [ 0.0001362600000000, -0.0000640000000000, -0.0000343000000000 ] - [ 0.0003577200000000, -0.0007526600000000, -0.0004060600000000 ] - [ 0.0002468700000000, -0.0000485500000000, -0.0001147100000000 ] - [ -0.0001364200000000, -0.0001476900000000, -0.0000896100000000 ] - [ -0.0005285500000000, 0.0000784300000000, 0.0001760100000000 ] - [ -0.0000493800000000, 0.0000251200000000, 0.0000813300000000 ] - [ 0.0000203000000000, -0.0000706200000000, -0.0000231800000000 ] - [ 0.0000650000000000, 0.0000451300000000, 0.0000077400000000 ] - [ 0.0000597000000000, 0.0000058900000000, -0.0000224900000000 ] - [ -0.0016626000000000, -0.0009939900000000, -0.0006762300000000 ] - [ -0.0000593700000000, -0.0000733500000000, -0.0000048500000000 ] - [ -0.0000641700000000, -0.0002328700000000, -0.0000242800000000 ] - [ 0.0008246800000000, 0.0005566500000000, -0.0003737800000000 ] - [ -0.0000432600000000, -0.0001131000000000, 0.0001683100000000 ] - [ 0.0001561700000000, -0.0000674400000000, 0.0004606400000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000551500000000, 0.0000368800000000, -0.0000615900000000 ] - [ -0.0005276100000000, 0.0003178700000000, -0.0004161600000000 ] - [ -0.0001232300000000, 0.0000848900000000, 0.0000060000000000 ] - [ -0.0001252300000000, -0.0000915200000000, 0.0000694900000000 ] - [ 0.0001036400000000, -0.0003406400000000, 0.0000004700000000 ] - [ 0.0000271800000000, 0.0003154900000000, -0.0000383200000000 ] - [ -0.0027832000000000, -0.0024234400000000, 0.0014864500000000 ] - [ -0.0001259000000000, 0.0000110800000000, -0.0000871500000000 ] - [ 0.0000439400000000, -0.0003742200000000, -0.0000501200000000 ] - [ -0.0012795000000000, -0.0053634100000000, -0.0022007900000000 ] - [ 0.0000715500000000, -0.0001642000000000, 0.0000638100000000 ] - [ 0.0019680900000000, -0.0006874900000000, 0.0034888000000000 ] - [ 0.0028868800000000, 0.0606012700000000, 0.0123311000000000 ] - [ -0.0000634600000000, 0.0000582300000000, 0.0001428900000000 ] - [ 0.0000305500000000, -0.0002152800000000, 0.0000516200000000 ] - [ 0.0001733300000000, -0.0001544300000000, -0.0028583600000000 ] - [ -0.0001298100000000, -0.0002298500000000, 0.0004032300000000 ] - [ -0.0000540100000000, 0.0001361800000000, 0.0001106200000000 ] - [ 0.0000309000000000, -0.0001959600000000, 0.0002101500000000 ] - [ 0.0001266900000000, 0.0000449300000000, 0.0001768200000000 ] - [ -0.0000698300000000, 0.0000688500000000, 0.0001231600000000 ] - [ -0.0000296700000000, -0.0001454100000000, 0.0000795600000000 ] - [ -0.0002173900000000, -0.0001612900000000, -0.0000024000000000 ] - [ -0.0012009900000000, -0.0009252100000000, 0.0007620000000000 ] - [ -0.0001033100000000, -0.0001333000000000, -0.0000608500000000 ] - [ -0.0000009400000000, 0.0000776500000000, -0.0001903700000000 ] - [ -0.0001360800000000, 0.0000102000000000, -0.0000899700000000 ] - [ -0.0000927300000000, 0.0000542800000000, 0.0000422600000000 ] - [ 0.0001066600000000, -0.0000624900000000, -0.0001522900000000 ] - [ 0.0000633100000000, -0.0000283600000000, -0.0001896700000000 ] - [ -0.0000386000000000, -0.0000135100000000, 0.0000914900000000 ] - [ -0.0000500200000000, 0.0000543400000000, 0.0000240900000000 ] - [ 0.0000003000000000, 0.0001126400000000, -0.0000635900000000 ] - [ 0.0000280600000000, -0.0002269500000000, -0.0000989500000000 ] - [ 0.0000452300000000, 0.0001058800000000, 0.0000572300000000 ] - [ 0.0000484100000000, -0.0001222400000000, 0.0000404300000000 ] - [ 0.0000474900000000, 0.0000597000000000, -0.0001718300000000 ] - [ -0.0001175400000000, -0.0000371400000000, -0.0000668500000000 ] - [ -0.0000833400000000, -0.0000619200000000, -0.0000270800000000 ] - [ -0.0000771600000000, 0.0000436700000000, -0.0000463600000000 ] - [ -0.0001399700000000, 0.0000615500000000, 0.0000599800000000 ] - [ -0.0000209000000000, 0.0000132400000000, -0.0000212900000000 ] - [ 0.0002705000000000, -0.0000734600000000, 0.0000207300000000 ] - [ 0.0000257100000000, -0.0000823300000000, -0.0000962700000000 ] - [ 0.0000353800000000, -0.0000199400000000, -0.0000996000000000 ] - [ -0.0000927900000000, 0.0000478500000000, -0.0000624000000000 ] - [ 0.0000524400000000, 0.0001890500000000, -0.0000772700000000 ] - [ 0.0014351400000000, 0.0004713500000000, 0.0008468200000000 ] - [ 0.0001591300000000, -0.0001508000000000, -0.0001204400000000 ] - [ 0.0001255100000000, 0.0002504900000000, -0.0001171800000000 ] - [ 0.0014652900000000, -0.0035497900000000, -0.0001725400000000 ] - [ 0.0001917800000000, 0.0000815800000000, 0.0000051200000000 ] - [ 0.0029844500000000, -0.0049971000000000, 0.0002142100000000 ] - [ -0.0001504500000000, 0.0000218700000000, 0.0001107900000000 ] - [ -0.0001210900000000, -0.0000000900000000, -0.0000114900000000 ] - [ -0.0000376700000000, 0.0000498700000000, 0.0000069500000000 ] - [ -0.0000116900000000, -0.0001569600000000, -0.0000620400000000 ] - [ 0.0000491100000000, 0.0000117900000000, 0.0000471500000000 ] - [ 0.0016960000000000, 0.0000509700000000, -0.0009134500000000 ] - [ -0.0000572300000000, -0.0001901900000000, 0.0001471200000000 ] - [ 0.0001020300000000, -0.0001004200000000, -0.0001551700000000 ] - [ 0.0001056200000000, 0.0001863900000000, -0.0000500900000000 ] - [ -0.0001392000000000, -0.0000697800000000, -0.0001781400000000 ] - [ -0.0000355400000000, 0.0000487500000000, -0.0000507900000000 ] - [ 0.0072711600000000, -0.0117669600000000, 0.0007445400000000 ] - [ -0.0001433400000000, -0.0001487200000000, -0.0001667000000000 ] - [ -0.0002261200000000, 0.0003777400000000, 0.0005655300000000 ] - [ -0.0008887500000000, -0.0006757700000000, -0.0001496400000000 ] - [ -0.0141578000000000, -0.0320559200000000, -0.0141469700000000 ] - [ 0.0000504400000000, 0.0000402600000000, -0.0000039200000000 ] - [ 0.0005076000000000, 0.0006976200000000, -0.0001623700000000 ] - [ 0.0000494000000000, -0.0000706100000000, 0.0001727000000000 ] - [ 0.0002286700000000, -0.0004341500000000, -0.0002231900000000 ] - [ 0.0000589500000000, 0.0000953700000000, 0.0000623300000000 ] - [ -0.0000424700000000, 0.0008169600000000, 0.0002107600000000 ] - [ 0.0000702900000000, -0.0000125900000000, -0.0000795500000000 ] - [ -0.0000582800000000, -0.0001081600000000, 0.0001896400000000 ] - [ 0.0003302600000000, 0.0001724000000000, -0.0000737000000000 ] - [ 0.0000603900000000, 0.0001325100000000, -0.0000129200000000 ] - [ -0.0000067600000000, -0.0000889500000000, 0.0000896700000000 ] - [ 0.0000923000000000, -0.0001435900000000, -0.0001116900000000 ] - [ 0.0000994700000000, 0.0000929900000000, -0.0000828700000000 ] - [ 0.0014614300000000, 0.0010654100000000, 0.0007335000000000 ] - [ -0.0001508700000000, 0.0000076300000000, 0.0000546400000000 ] - [ 0.0000026000000000, 0.0000416400000000, 0.0001034000000000 ] - [ -0.0008921100000000, -0.0003682200000000, 0.0004523200000000 ] - [ 0.0000703600000000, 0.0000804800000000, -0.0000243500000000 ] - [ -0.0001061900000000, 0.0001229100000000, -0.0003008900000000 ]- atom: 13 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000766200000000, -0.0000231900000000, -0.0001006500000000 ] - [ 0.0008303900000000, 0.0002303500000000, -0.0004395200000000 ] - [ -0.0001526700000000, 0.0000430400000000, 0.0000482300000000 ] - [ -0.0001361000000000, -0.0000811200000000, -0.0000085600000000 ] - [ 0.0000442100000000, -0.0001556100000000, 0.0000194000000000 ] - [ 0.0002114000000000, 0.0001986700000000, 0.0000510200000000 ] - [ -0.0016692600000000, -0.0012536600000000, -0.0008280800000000 ] - [ -0.0000875500000000, 0.0001121900000000, 0.0000849200000000 ] - [ 0.0000601400000000, -0.0002999700000000, -0.0000497600000000 ] - [ -0.0002437300000000, 0.0034279000000000, 0.0013561100000000 ] - [ -0.0000276600000000, -0.0001144600000000, 0.0001602600000000 ] - [ 0.0021575900000000, -0.0004229000000000, 0.0036761600000000 ] - [ -0.0299707000000000, -0.0128625500000000, -0.0349058800000000 ] - [ -0.0000639500000000, 0.0000767600000000, 0.0001754500000000 ] - [ 0.0000049000000000, -0.0001698500000000, 0.0001141000000000 ] - [ 0.0012105400000000, 0.0013972700000000, 0.0038075400000000 ] - [ 0.0006995400000000, -0.0007867800000000, 0.0024078900000000 ] - [ -0.0000818000000000, 0.0002298700000000, 0.0000128000000000 ] - [ 0.0000120400000000, 0.0000242000000000, 0.0002673300000000 ] - [ -0.0000334600000000, -0.0000635200000000, 0.0004030600000000 ] - [ -0.0000814700000000, -0.0000394700000000, 0.0001096500000000 ] - [ -0.0001265700000000, 0.0000358400000000, 0.0000023500000000 ] - [ -0.0001998900000000, -0.0001738200000000, 0.0000548500000000 ] - [ -0.0004718600000000, -0.0001480400000000, 0.0004510100000000 ] - [ 0.0000291500000000, -0.0000318200000000, -0.0002036200000000 ] - [ -0.0000257900000000, 0.0001382100000000, 0.0000373100000000 ] - [ 0.0002520400000000, -0.0001672800000000, 0.0004074000000000 ] - [ -0.0000670100000000, 0.0001312900000000, 0.0000115900000000 ] - [ 0.0000818000000000, 0.0000316400000000, -0.0001756400000000 ] - [ 0.0000834800000000, -0.0000719200000000, -0.0000919200000000 ] - [ 0.0000273000000000, -0.0001401300000000, -0.0000237800000000 ] - [ 0.0000021100000000, 0.0001038200000000, 0.0000047700000000 ] - [ 0.0000114300000000, 0.0000757100000000, -0.0000374600000000 ] - [ 0.0000500200000000, -0.0000997800000000, -0.0000768900000000 ] - [ 0.0001232500000000, 0.0000935800000000, 0.0000687600000000 ] - [ 0.0000915400000000, -0.0000980300000000, 0.0001397300000000 ] - [ -0.0001233500000000, -0.0000486200000000, -0.0000320600000000 ] - [ 0.0001118800000000, -0.0000563500000000, -0.0001656100000000 ] - [ -0.0000089700000000, -0.0000159900000000, -0.0000283800000000 ] - [ -0.0000090400000000, 0.0000151200000000, 0.0000272900000000 ] - [ -0.0000435500000000, -0.0001465300000000, -0.0002377000000000 ] - [ -0.0000119900000000, 0.0000496300000000, 0.0000201300000000 ] - [ 0.0002644000000000, -0.0000300300000000, 0.0000151100000000 ] - [ 0.0005675100000000, 0.0001840100000000, 0.0002438800000000 ] - [ 0.0000099100000000, 0.0000369700000000, -0.0000500100000000 ] - [ -0.0000189900000000, -0.0000492000000000, -0.0002041700000000 ] - [ 0.0000568400000000, 0.0002351800000000, -0.0000226700000000 ] - [ 0.0021776500000000, -0.0025166400000000, 0.0004495100000000 ] - [ 0.0001665500000000, -0.0000479700000000, 0.0000114500000000 ] - [ 0.0002638800000000, 0.0001163600000000, 0.0001122800000000 ] - [ -0.0002620400000000, 0.0004382800000000, -0.0000020000000000 ] - [ 0.0000813000000000, -0.0000367900000000, 0.0002413700000000 ] - [ -0.0000288300000000, -0.0007079000000000, -0.0003858400000000 ] - [ -0.0001602200000000, 0.0000205800000000, 0.0001138500000000 ] - [ 0.0000802300000000, -0.0001232700000000, 0.0000890300000000 ] - [ -0.0000321600000000, 0.0000850900000000, 0.0000086700000000 ] - [ 0.0001488700000000, 0.0000971000000000, 0.0000474000000000 ] - [ 0.0001103500000000, 0.0000405400000000, -0.0000789700000000 ] - [ -0.0035592800000000, 0.0002822200000000, 0.0004491700000000 ] - [ -0.0000419800000000, -0.0002072000000000, 0.0002584600000000 ] - [ 0.0000068700000000, -0.0001690800000000, -0.0000638600000000 ] - [ 0.0000108100000000, 0.0001272700000000, -0.0001924900000000 ] - [ 0.0000615400000000, -0.0002071700000000, 0.0002406800000000 ] - [ -0.0000992700000000, 0.0001347300000000, -0.0001504200000000 ] - [ 0.0178384400000000, -0.0007881400000000, 0.0104653700000000 ] - [ -0.0001436500000000, -0.0000948700000000, -0.0004000500000000 ] - [ -0.0000548700000000, -0.0000542800000000, -0.0001528100000000 ] - [ -0.0004001000000000, -0.0003734600000000, 0.0014462500000000 ] - [ 0.0116649900000000, 0.0151099000000000, 0.0120199600000000 ] - [ 0.0001004600000000, -0.0000726900000000, -0.0001304300000000 ] - [ 0.0000789600000000, -0.0003893500000000, 0.0000105200000000 ] - [ -0.0001242100000000, -0.0001643500000000, -0.0005914400000000 ] - [ -0.0003598000000000, 0.0003149400000000, -0.0000529800000000 ] - [ 0.0001941900000000, -0.0000485000000000, -0.0000055300000000 ] - [ 0.0001408500000000, 0.0003277700000000, 0.0000798600000000 ] - [ 0.0002771400000000, -0.0000096700000000, -0.0001627200000000 ] - [ -0.0001244800000000, -0.0002502300000000, -0.0001620000000000 ] - [ -0.0004821600000000, 0.0000358900000000, 0.0001420900000000 ] - [ -0.0001038700000000, 0.0000766300000000, 0.0000821900000000 ] - [ 0.0000351200000000, -0.0001441700000000, -0.0000901500000000 ] - [ -0.0000017500000000, 0.0000563900000000, -0.0000509000000000 ] - [ -0.0000842200000000, 0.0000894200000000, 0.0000093500000000 ] - [ -0.0007364800000000, -0.0000030200000000, -0.0009414500000000 ] - [ -0.0001450700000000, -0.0000932000000000, -0.0000240400000000 ] - [ -0.0000830900000000, -0.0000477600000000, -0.0000886200000000 ] - [ 0.0004537800000000, 0.0001135800000000, 0.0017110200000000 ] - [ 0.0000318200000000, -0.0000013600000000, 0.0000438100000000 ] - [ -0.0003109600000000, -0.0002362000000000, -0.0008013700000000 ]- atom: 13 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000657100000000, 0.0000043600000000, -0.0000365100000000 ] - [ -0.0006723900000000, -0.0002062500000000, 0.0002916300000000 ] - [ -0.0001063700000000, 0.0001297200000000, 0.0000198200000000 ] - [ -0.0001223700000000, -0.0000913900000000, 0.0000769500000000 ] - [ 0.0000775900000000, -0.0001784300000000, -0.0000472700000000 ] - [ -0.0000896500000000, 0.0001332700000000, -0.0000814900000000 ] - [ 0.0014911200000000, 0.0011031800000000, 0.0008406900000000 ] - [ -0.0000908300000000, 0.0000559200000000, -0.0000728000000000 ] - [ 0.0000805400000000, -0.0002750200000000, -0.0000716700000000 ] - [ 0.0003786000000000, -0.0028751300000000, -0.0014712000000000 ] - [ 0.0000798700000000, -0.0001582900000000, 0.0000869200000000 ] - [ -0.0020570900000000, 0.0006606000000000, -0.0033635300000000 ] - [ 0.0295559100000000, 0.0124270000000000, 0.0353361100000000 ] - [ -0.0000455000000000, 0.0000947200000000, 0.0001279500000000 ] - [ 0.0000688200000000, -0.0001883800000000, 0.0000543800000000 ] - [ -0.0011274800000000, -0.0009883900000000, -0.0035602100000000 ] - [ -0.0007499600000000, 0.0004049200000000, -0.0023606000000000 ] - [ 0.0000537900000000, 0.0001757200000000, 0.0001210900000000 ] - [ 0.0001195900000000, -0.0000275200000000, 0.0002204400000000 ] - [ 0.0001640500000000, 0.0000680400000000, 0.0000828400000000 ] - [ -0.0000902900000000, 0.0000650300000000, 0.0000347900000000 ] - [ -0.0000451500000000, -0.0000598000000000, 0.0001421900000000 ] - [ -0.0001993700000000, -0.0002311600000000, -0.0000191300000000 ] - [ 0.0000639800000000, 0.0005427000000000, -0.0004097900000000 ] - [ -0.0000604900000000, -0.0001293100000000, -0.0000636700000000 ] - [ -0.0000049900000000, 0.0000210800000000, -0.0003101400000000 ] - [ -0.0004232200000000, -0.0000574500000000, -0.0003522100000000 ] - [ -0.0000984100000000, 0.0000947000000000, 0.0000497100000000 ] - [ 0.0000497400000000, 0.0000617800000000, -0.0001358600000000 ] - [ 0.0000481800000000, -0.0000213200000000, -0.0002210700000000 ] - [ -0.0000877600000000, -0.0000321100000000, 0.0000611000000000 ] - [ -0.0000622800000000, 0.0000694200000000, 0.0000314900000000 ] - [ -0.0000162700000000, 0.0001400400000000, -0.0000837500000000 ] - [ -0.0000546700000000, -0.0001147600000000, -0.0000435500000000 ] - [ -0.0000255400000000, 0.0001731500000000, 0.0000615000000000 ] - [ 0.0000055100000000, -0.0001699300000000, -0.0000112900000000 ] - [ 0.0000541900000000, 0.0000419700000000, -0.0001956500000000 ] - [ -0.0001815500000000, 0.0000637000000000, -0.0000612200000000 ] - [ -0.0001275900000000, -0.0000430900000000, -0.0000333600000000 ] - [ -0.0001278500000000, 0.0000442800000000, -0.0000908200000000 ] - [ -0.0000312000000000, 0.0000723500000000, 0.0002087400000000 ] - [ -0.0000636000000000, 0.0000247500000000, -0.0000507100000000 ] - [ 0.0002426800000000, -0.0000405700000000, -0.0000111100000000 ] - [ -0.0000630400000000, -0.0001143200000000, -0.0002400500000000 ] - [ -0.0000071400000000, 0.0000600200000000, -0.0001044300000000 ] - [ 0.0000214900000000, -0.0000468600000000, 0.0000503500000000 ] - [ 0.0000269900000000, 0.0001777800000000, -0.0001038800000000 ] - [ -0.0021174300000000, 0.0021121400000000, -0.0005675100000000 ] - [ 0.0001164300000000, -0.0001594500000000, -0.0000870400000000 ] - [ 0.0000173300000000, 0.0000925400000000, -0.0001896200000000 ] - [ 0.0005780100000000, -0.0004569100000000, 0.0001675800000000 ] - [ 0.0002376000000000, 0.0000618900000000, -0.0000819300000000 ] - [ -0.0002397400000000, 0.0006220700000000, 0.0006160000000000 ] - [ -0.0001159200000000, 0.0000515600000000, 0.0001108900000000 ] - [ -0.0001920300000000, 0.0000203700000000, -0.0000811900000000 ] - [ -0.0000788300000000, 0.0000172600000000, 0.0000002900000000 ] - [ -0.0000120400000000, -0.0001620300000000, -0.0000670400000000 ] - [ 0.0000258100000000, 0.0000232700000000, 0.0000610700000000 ] - [ 0.0034923600000000, 0.0000173100000000, -0.0002244500000000 ] - [ -0.0000632300000000, -0.0000999100000000, -0.0000264300000000 ] - [ 0.0001638900000000, -0.0001418600000000, -0.0001495100000000 ] - [ 0.0001603800000000, 0.0001826400000000, -0.0000195000000000 ] - [ -0.0001020600000000, 0.0000099400000000, -0.0003902600000000 ] - [ 0.0000589800000000, 0.0000662100000000, 0.0000053400000000 ] - [ -0.0180693300000000, 0.0009832600000000, -0.0109704100000000 ] - [ -0.0001881800000000, -0.0001189500000000, 0.0000212600000000 ] - [ -0.0001332600000000, 0.0002140000000000, 0.0001188800000000 ] - [ 0.0002228600000000, 0.0002137100000000, -0.0014291300000000 ] - [ -0.0114725800000000, -0.0147056200000000, -0.0122099400000000 ] - [ -0.0000309100000000, -0.0000726400000000, 0.0000062500000000 ] - [ -0.0000506400000000, 0.0004253000000000, -0.0000810400000000 ] - [ 0.0001562800000000, 0.0001333700000000, 0.0005326100000000 ] - [ 0.0005616300000000, -0.0003534600000000, 0.0000818800000000 ] - [ 0.0000018200000000, 0.0000784600000000, 0.0000369900000000 ] - [ 0.0001755100000000, -0.0002665800000000, -0.0002735900000000 ] - [ 0.0000387200000000, -0.0000529400000000, -0.0000328800000000 ] - [ -0.0000684400000000, -0.0000027900000000, 0.0002685500000000 ] - [ 0.0002852700000000, 0.0002181000000000, -0.0000407300000000 ] - [ 0.0001166700000000, 0.0000844300000000, -0.0000181900000000 ] - [ -0.0000224900000000, -0.0000141200000000, 0.0001572100000000 ] - [ 0.0001595300000000, -0.0001573000000000, -0.0000547500000000 ] - [ 0.0002432000000000, 0.0000084500000000, -0.0001149900000000 ] - [ 0.0005380600000000, 0.0000729500000000, 0.0009816000000000 ] - [ -0.0000603700000000, 0.0000296000000000, 0.0000740100000000 ] - [ 0.0000231400000000, -0.0001444600000000, 0.0001678800000000 ] - [ -0.0005228000000000, 0.0000683900000000, -0.0016260000000000 ] - [ -0.0000035500000000, -0.0000348600000000, 0.0000984400000000 ] - [ 0.0003540900000000, 0.0002759500000000, 0.0009376600000000 ]- atom: 15 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0008000500000000, 0.0002670300000000, -0.0004365400000000 ] - [ 0.0000830400000000, 0.0000039700000000, -0.0000702400000000 ] - [ -0.0002194100000000, 0.0000637900000000, 0.0000891800000000 ] - [ -0.0001673900000000, -0.0001270700000000, 0.0000023500000000 ] - [ 0.0027601500000000, -0.0022265600000000, 0.0009223000000000 ] - [ 0.0000556300000000, 0.0000979800000000, -0.0000974300000000 ] - [ -0.0001626400000000, -0.0000784500000000, 0.0000128100000000 ] - [ -0.0007490800000000, -0.0024633400000000, -0.0043256100000000 ] - [ 0.0005541800000000, -0.0011200800000000, 0.0002206800000000 ] - [ 0.0000226300000000, 0.0002207700000000, -0.0001129000000000 ] - [ -0.0004645500000000, 0.0020815100000000, -0.0005918500000000 ] - [ -0.0000058200000000, 0.0001419100000000, 0.0001201200000000 ] - [ -0.0001690400000000, -0.0000807000000000, 0.0001180200000000 ] - [ -0.0013467800000000, 0.0002234600000000, 0.0013378000000000 ] - [ -0.0878770300000000, -0.0142632600000000, 0.0219893400000000 ] - [ -0.0000583300000000, 0.0001956000000000, 0.0000921300000000 ] - [ -0.0001075600000000, -0.0001586300000000, 0.0000720300000000 ] - [ -0.0001964900000000, 0.0001458800000000, -0.0000915200000000 ] - [ 0.0007168700000000, -0.0001518400000000, -0.0006393000000000 ] - [ -0.0000502000000000, 0.0000572900000000, 0.0003018200000000 ] - [ 0.0002613600000000, 0.0007652400000000, 0.0002304800000000 ] - [ -0.0000345300000000, 0.0000370200000000, 0.0000968900000000 ] - [ -0.0001709800000000, -0.0003601700000000, 0.0000446900000000 ] - [ -0.0002128200000000, 0.0000700700000000, -0.0000843400000000 ] - [ 0.0011769500000000, -0.0004697800000000, -0.0018020600000000 ] - [ -0.0000249200000000, 0.0000807100000000, -0.0001086300000000 ] - [ -0.0000432800000000, -0.0000356000000000, -0.0000438400000000 ] - [ -0.0000659700000000, 0.0000802200000000, 0.0000102700000000 ] - [ 0.0001568200000000, -0.0000380900000000, -0.0003361500000000 ] - [ 0.0001367000000000, -0.0000126400000000, -0.0000755700000000 ] - [ 0.0000754800000000, -0.0000795400000000, 0.0000154300000000 ] - [ 0.0001150900000000, 0.0001191900000000, -0.0000017800000000 ] - [ 0.0001030300000000, 0.0000857700000000, -0.0000416700000000 ] - [ 0.0001516200000000, -0.0000130100000000, -0.0001005800000000 ] - [ 0.0002670800000000, -0.0000174700000000, 0.0001027300000000 ] - [ 0.0001442600000000, -0.0000517900000000, 0.0001105300000000 ] - [ 0.0001306600000000, 0.0000595000000000, -0.0001926100000000 ] - [ 0.0001425700000000, -0.0000547000000000, -0.0002148500000000 ] - [ 0.0003123400000000, -0.0000214300000000, 0.0000852100000000 ] - [ 0.0000411400000000, 0.0000107300000000, -0.0000034100000000 ] - [ 0.0000200200000000, -0.0000392300000000, -0.0000150100000000 ] - [ 0.0006058700000000, 0.0001339800000000, -0.0003504300000000 ] - [ 0.0004032200000000, -0.0002157500000000, 0.0000413700000000 ] - [ 0.0003205800000000, 0.0000278800000000, 0.0000240300000000 ] - [ 0.0001292000000000, -0.0000840900000000, -0.0001028900000000 ] - [ 0.0000069100000000, -0.0000928900000000, -0.0000638000000000 ] - [ -0.0000210500000000, 0.0002975100000000, -0.0001747900000000 ] - [ 0.0000110500000000, -0.0001275300000000, -0.0000089500000000 ] - [ 0.0060093800000000, 0.0034844900000000, 0.0040424800000000 ] - [ 0.0001560100000000, 0.0001370000000000, -0.0000749400000000 ] - [ -0.0003182900000000, 0.0000965000000000, 0.0008073600000000 ] - [ 0.0000139700000000, 0.0001516400000000, 0.0000780800000000 ] - [ -0.0002260400000000, 0.0000582700000000, 0.0000765800000000 ] - [ -0.0000501500000000, 0.0003006800000000, 0.0016136200000000 ] - [ 0.0000279200000000, -0.0000998100000000, 0.0000217700000000 ] - [ 0.0002703900000000, 0.0001028400000000, 0.0001184000000000 ] - [ 0.0001880200000000, -0.0000862400000000, -0.0001576700000000 ] - [ 0.0002143000000000, -0.0000912600000000, 0.0000229900000000 ] - [ -0.0000624500000000, 0.0002158600000000, 0.0002412000000000 ] - [ -0.0000919900000000, -0.0000986800000000, 0.0001050000000000 ] - [ -0.0002141600000000, -0.0001298100000000, -0.0002173500000000 ] - [ -0.0001337800000000, 0.0002147000000000, -0.0000749500000000 ] - [ -0.0004158500000000, -0.0005454700000000, -0.0002185600000000 ] - [ -0.0002238900000000, -0.0000240000000000, 0.0000708100000000 ] - [ -0.0000154100000000, 0.0001672600000000, -0.0002353500000000 ] - [ 0.0021169200000000, 0.0000622400000000, -0.0011524300000000 ] - [ 0.0514487200000000, 0.0154626300000000, -0.0002003100000000 ] - [ -0.0000055800000000, -0.0000362800000000, 0.0000844400000000 ] - [ 0.0003209700000000, 0.0000646300000000, 0.0000194600000000 ] - [ 0.0264994900000000, -0.0017034900000000, -0.0219844700000000 ] - [ 0.0004769900000000, 0.0004912300000000, 0.0009224200000000 ] - [ 0.0004166700000000, 0.0001723400000000, -0.0001925100000000 ] - [ 0.0000359900000000, -0.0005032500000000, 0.0002788500000000 ] - [ 0.0001353800000000, 0.0003661000000000, -0.0003479800000000 ] - [ -0.0004730900000000, -0.0003043400000000, 0.0003364300000000 ] - [ -0.0001767200000000, -0.0004967900000000, -0.0004866800000000 ] - [ -0.0004733700000000, -0.0001387500000000, 0.0001571100000000 ] - [ -0.0001916000000000, 0.0002849400000000, 0.0000523600000000 ] - [ -0.0010720900000000, 0.0000289400000000, 0.0002893100000000 ] - [ -0.0000534100000000, -0.0000918400000000, 0.0000024500000000 ] - [ -0.0002385600000000, -0.0000130000000000, 0.0000277400000000 ] - [ -0.0003631500000000, -0.0000275300000000, -0.0001380000000000 ] - [ -0.0003056100000000, -0.0000423400000000, 0.0000059200000000 ] - [ -0.0011390500000000, -0.0001523200000000, -0.0004578700000000 ] - [ -0.0017704500000000, 0.0002072200000000, 0.0011375200000000 ] - [ -0.0000266100000000, 0.0000452300000000, -0.0000838600000000 ] - [ 0.0022013100000000, -0.0005607400000000, -0.0005840900000000 ] - [ -0.0000477400000000, 0.0001478600000000, 0.0001412500000000 ]- atom: 15 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ -0.0006433700000000, -0.0002828100000000, 0.0002785100000000 ] - [ 0.0000572300000000, 0.0000155000000000, -0.0000660900000000 ] - [ -0.0000385500000000, 0.0001087300000000, -0.0000204100000000 ] - [ -0.0000906500000000, -0.0000448000000000, 0.0000672000000000 ] - [ -0.0025942400000000, 0.0018575500000000, -0.0009173900000000 ] - [ 0.0000656500000000, 0.0002404600000000, 0.0000723500000000 ] - [ -0.0000161600000000, -0.0000880100000000, -0.0000024400000000 ] - [ 0.0005485700000000, 0.0026105500000000, 0.0043272900000000 ] - [ -0.0004336600000000, 0.0005607300000000, -0.0003287800000000 ] - [ 0.0001157300000000, 0.0003551200000000, -0.0000081400000000 ] - [ 0.0004879500000000, -0.0023437900000000, 0.0008438000000000 ] - [ 0.0000545300000000, 0.0001274300000000, 0.0001296000000000 ] - [ 0.0000600500000000, -0.0000918200000000, 0.0001839100000000 ] - [ 0.0012299900000000, -0.0000650300000000, -0.0010003500000000 ] - [ 0.0855156500000000, 0.0129970100000000, -0.0217273100000000 ] - [ 0.0001315400000000, 0.0001632900000000, 0.0000794100000000 ] - [ 0.0000844500000000, -0.0002482800000000, 0.0000656800000000 ] - [ 0.0001743300000000, 0.0002606400000000, 0.0002317900000000 ] - [ -0.0005808100000000, 0.0001479600000000, 0.0011202800000000 ] - [ 0.0001851800000000, -0.0000522800000000, 0.0001819600000000 ] - [ -0.0004343300000000, -0.0007471200000000, -0.0000855600000000 ] - [ -0.0001352300000000, -0.0000636900000000, 0.0000488100000000 ] - [ -0.0002262900000000, -0.0000432100000000, -0.0000080400000000 ] - [ -0.0001835200000000, 0.0003366500000000, 0.0001228000000000 ] - [ -0.0012220200000000, 0.0003214600000000, 0.0015595700000000 ] - [ -0.0000043000000000, 0.0000782100000000, -0.0001616100000000 ] - [ -0.0001221000000000, -0.0001948100000000, 0.0001084100000000 ] - [ -0.0000992300000000, 0.0001498800000000, 0.0000544300000000 ] - [ -0.0000298400000000, 0.0001281000000000, 0.0000279300000000 ] - [ -0.0000082600000000, -0.0000773600000000, -0.0002376500000000 ] - [ -0.0001389200000000, -0.0000901200000000, 0.0000219000000000 ] - [ -0.0001794200000000, 0.0000492700000000, 0.0000395400000000 ] - [ -0.0001137200000000, 0.0001306100000000, -0.0000818800000000 ] - [ -0.0001620100000000, -0.0002036200000000, -0.0000216400000000 ] - [ -0.0001742300000000, 0.0002860700000000, 0.0000263000000000 ] - [ -0.0000510100000000, -0.0002159500000000, 0.0000164400000000 ] - [ -0.0002022700000000, -0.0000673200000000, -0.0000311300000000 ] - [ -0.0002144900000000, 0.0000635200000000, -0.0000078700000000 ] - [ -0.0004510100000000, -0.0000408100000000, -0.0001505500000000 ] - [ -0.0001793800000000, 0.0000514000000000, -0.0000644600000000 ] - [ -0.0000971400000000, -0.0000361600000000, -0.0000184600000000 ] - [ -0.0006801200000000, -0.0000578000000000, 0.0003164100000000 ] - [ 0.0000947900000000, 0.0001445700000000, -0.0000384700000000 ] - [ 0.0001852100000000, 0.0000437900000000, -0.0000183700000000 ] - [ -0.0001272600000000, 0.0001833000000000, -0.0000495800000000 ] - [ -0.0000010600000000, -0.0000040600000000, -0.0000924700000000 ] - [ 0.0001060800000000, 0.0001161800000000, 0.0000468100000000 ] - [ 0.0000771300000000, -0.0002887100000000, -0.0001194700000000 ] - [ -0.0056351100000000, -0.0036497500000000, -0.0040711200000000 ] - [ 0.0001293400000000, 0.0000664300000000, 0.0000008200000000 ] - [ 0.0006308600000000, -0.0001169200000000, -0.0006381800000000 ] - [ 0.0003039200000000, -0.0001318100000000, 0.0000839100000000 ] - [ -0.0000475600000000, -0.0001282000000000, 0.0001473100000000 ] - [ -0.0002292800000000, -0.0002359700000000, -0.0014018200000000 ] - [ -0.0001421400000000, -0.0000047200000000, -0.0000100300000000 ] - [ -0.0003848300000000, 0.0000018200000000, -0.0001082900000000 ] - [ -0.0000524300000000, 0.0000190300000000, 0.0001438300000000 ] - [ -0.0000774400000000, 0.0001611900000000, -0.0000407300000000 ] - [ -0.0000413200000000, 0.0000900900000000, -0.0000066800000000 ] - [ -0.0000144900000000, -0.0002070400000000, 0.0001315300000000 ] - [ 0.0003860400000000, -0.0001807600000000, 0.0000053600000000 ] - [ 0.0003053500000000, 0.0000962300000000, -0.0001390600000000 ] - [ 0.0003765700000000, 0.0003408300000000, 0.0000722800000000 ] - [ 0.0001867200000000, 0.0002261100000000, -0.0002165700000000 ] - [ -0.0003211800000000, 0.0000498400000000, -0.0001452500000000 ] - [ -0.0024353500000000, -0.0002679500000000, 0.0007503800000000 ] - [ -0.0495148700000000, -0.0143445500000000, 0.0004813400000000 ] - [ -0.0001852300000000, -0.0001226000000000, -0.0001165100000000 ] - [ -0.0002532400000000, 0.0000781700000000, -0.0001431600000000 ] - [ -0.0262406200000000, 0.0014987600000000, 0.0213804000000000 ] - [ -0.0004551700000000, -0.0004540300000000, -0.0009972900000000 ] - [ -0.0003925500000000, -0.0002112200000000, 0.0001249700000000 ] - [ 0.0001608200000000, 0.0004787900000000, -0.0002479700000000 ] - [ 0.0000615700000000, -0.0003421800000000, 0.0003827100000000 ] - [ 0.0007920700000000, 0.0003682000000000, -0.0005350400000000 ] - [ 0.0004972300000000, 0.0004416900000000, 0.0002940800000000 ] - [ 0.0002814600000000, -0.0001214100000000, -0.0000532900000000 ] - [ -0.0000027100000000, -0.0000288800000000, 0.0000488200000000 ] - [ 0.0010920600000000, 0.0001326400000000, -0.0002308000000000 ] - [ 0.0000670400000000, -0.0000694400000000, 0.0000604000000000 ] - [ 0.0003996800000000, -0.0000853400000000, -0.0001308900000000 ] - [ 0.0005261700000000, 0.0001254000000000, 0.0000340600000000 ] - [ 0.0001034000000000, 0.0001058800000000, 0.0000438300000000 ] - [ 0.0009489200000000, 0.0000957700000000, 0.0005008900000000 ] - [ 0.0017055900000000, -0.0003881400000000, -0.0010489900000000 ] - [ -0.0000322800000000, 0.0001483800000000, 0.0001640400000000 ] - [ -0.0021129700000000, 0.0004959400000000, 0.0007170800000000 ] - [ 0.0000764700000000, -0.0001106900000000, 0.0000006100000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003511400000000, -0.0005937400000000, 0.0002375600000000 ] - [ 0.0000728100000000, -0.0000040200000000, -0.0000885600000000 ] - [ -0.0001430900000000, 0.0000796800000000, 0.0000381600000000 ] - [ -0.0001428200000000, -0.0001177400000000, 0.0000269100000000 ] - [ -0.0014796800000000, -0.0005429500000000, 0.0004461800000000 ] - [ 0.0000552000000000, 0.0002177000000000, 0.0000407800000000 ] - [ -0.0001236500000000, -0.0000375400000000, -0.0000429800000000 ] - [ -0.0012229500000000, 0.0007192400000000, 0.0007004600000000 ] - [ -0.0038133700000000, 0.0025010800000000, 0.0018352700000000 ] - [ 0.0000538700000000, 0.0003160100000000, -0.0000590100000000 ] - [ 0.0036109300000000, 0.0042119100000000, -0.0019016800000000 ] - [ 0.0000336600000000, 0.0001864300000000, 0.0001567000000000 ] - [ -0.0000681100000000, -0.0000494800000000, 0.0001612800000000 ] - [ 0.0013025900000000, 0.0004166100000000, -0.0010465500000000 ] - [ -0.0137113600000000, -0.0269483000000000, -0.0107815500000000 ] - [ 0.0000209800000000, 0.0001931900000000, 0.0000849300000000 ] - [ -0.0000512900000000, -0.0001692300000000, 0.0000653200000000 ] - [ -0.0000663000000000, 0.0001796500000000, 0.0000612400000000 ] - [ 0.0002120000000000, 0.0000160200000000, -0.0004475100000000 ] - [ 0.0001053000000000, 0.0000653000000000, 0.0002144000000000 ] - [ 0.0001841700000000, 0.0006368800000000, 0.0001359500000000 ] - [ -0.0000628900000000, -0.0000315900000000, 0.0001301200000000 ] - [ -0.0001933500000000, -0.0001865500000000, 0.0000354800000000 ] - [ -0.0002206100000000, 0.0001838300000000, 0.0000265200000000 ] - [ -0.0008508000000000, 0.0004792500000000, 0.0007575600000000 ] - [ -0.0000243900000000, 0.0001016200000000, -0.0001206500000000 ] - [ -0.0000742400000000, -0.0000617000000000, -0.0000203700000000 ] - [ -0.0000816300000000, 0.0001008900000000, 0.0000326100000000 ] - [ 0.0000693800000000, 0.0000329400000000, -0.0002084500000000 ] - [ 0.0000986100000000, -0.0000262400000000, -0.0001253000000000 ] - [ -0.0000180100000000, -0.0000765800000000, 0.0000114400000000 ] - [ 0.0000045800000000, 0.0000658900000000, 0.0000668600000000 ] - [ 0.0000197800000000, 0.0001188800000000, -0.0000568700000000 ] - [ 0.0000122300000000, -0.0001051800000000, -0.0000685700000000 ] - [ 0.0000598300000000, 0.0001162100000000, 0.0000925100000000 ] - [ 0.0000647600000000, -0.0001046500000000, 0.0000708100000000 ] - [ -0.0000086200000000, 0.0000327700000000, -0.0001388300000000 ] - [ -0.0000112700000000, -0.0000105100000000, -0.0001249500000000 ] - [ -0.0000503100000000, -0.0000297200000000, -0.0000153000000000 ] - [ -0.0000544200000000, 0.0000363300000000, -0.0000233400000000 ] - [ -0.0000216600000000, -0.0000177600000000, 0.0000007900000000 ] - [ 0.0000126500000000, 0.0001159700000000, -0.0000510700000000 ] - [ 0.0001426600000000, -0.0001039400000000, 0.0000748800000000 ] - [ 0.0002682000000000, 0.0000554500000000, 0.0000206200000000 ] - [ -0.0001331600000000, -0.0000588900000000, -0.0000531300000000 ] - [ 0.0000340800000000, 0.0000115400000000, -0.0000946300000000 ] - [ 0.0001446000000000, 0.0001411100000000, -0.0001798300000000 ] - [ 0.0000475400000000, -0.0001597400000000, -0.0000270500000000 ] - [ 0.0022850800000000, 0.0012713900000000, 0.0005856200000000 ] - [ 0.0001427800000000, 0.0001110300000000, -0.0000339500000000 ] - [ 0.0002493000000000, 0.0004039300000000, 0.0006071700000000 ] - [ 0.0001537300000000, 0.0000681100000000, 0.0000442200000000 ] - [ -0.0001532200000000, -0.0000320000000000, 0.0000955800000000 ] - [ 0.0002989000000000, 0.0002723800000000, 0.0010715800000000 ] - [ -0.0000359400000000, -0.0000518600000000, 0.0000186600000000 ] - [ 0.0000511600000000, 0.0000886900000000, -0.0000010400000000 ] - [ 0.0000431200000000, -0.0000180900000000, -0.0000009500000000 ] - [ 0.0000572000000000, 0.0000298000000000, -0.0000120600000000 ] - [ -0.0000733000000000, 0.0001895900000000, 0.0001994800000000 ] - [ 0.0000179400000000, -0.0001596900000000, 0.0000205600000000 ] - [ 0.0000753800000000, -0.0001460600000000, -0.0000997400000000 ] - [ 0.0000641000000000, 0.0001539300000000, -0.0001238500000000 ] - [ -0.0001459500000000, -0.0002252700000000, -0.0001150400000000 ] - [ -0.0000568700000000, 0.0000840000000000, -0.0000531800000000 ] - [ -0.0001694700000000, -0.0000546000000000, -0.0002914000000000 ] - [ -0.0008665200000000, 0.0012765300000000, -0.0004339100000000 ] - [ 0.0141754300000000, 0.0097668100000000, 0.0025960300000000 ] - [ -0.0001213600000000, -0.0001744000000000, 0.0000065000000000 ] - [ 0.0000693300000000, 0.0000152200000000, -0.0000070300000000 ] - [ -0.0009293300000000, 0.0053860100000000, 0.0067223700000000 ] - [ 0.0002053700000000, 0.0001786600000000, -0.0000661400000000 ] - [ 0.0001049500000000, -0.0001822000000000, 0.0000022800000000 ] - [ 0.0000885500000000, -0.0001900600000000, 0.0001529900000000 ] - [ 0.0000760100000000, 0.0002259500000000, -0.0002123400000000 ] - [ 0.0000782000000000, 0.0000283400000000, -0.0000422800000000 ] - [ -0.0000459300000000, -0.0002050300000000, -0.0001982900000000 ] - [ -0.0000717800000000, -0.0002064500000000, 0.0000725000000000 ] - [ -0.0001058200000000, 0.0001402000000000, 0.0000693000000000 ] - [ 0.0000046100000000, 0.0001639500000000, 0.0000584000000000 ] - [ 0.0000024100000000, -0.0000850500000000, 0.0000003800000000 ] - [ 0.0000531700000000, -0.0000595500000000, -0.0000495600000000 ] - [ 0.0000433600000000, 0.0000581000000000, -0.0000836500000000 ] - [ -0.0001465500000000, 0.0000130600000000, 0.0000019100000000 ] - [ 0.0005553800000000, -0.0007270600000000, -0.0004111300000000 ] - [ -0.0006324900000000, -0.0006963700000000, 0.0005965300000000 ] - [ -0.0000236100000000, -0.0000568200000000, 0.0000636100000000 ] - [ 0.0002901400000000, 0.0014407900000000, -0.0006258800000000 ] - [ 0.0000389900000000, 0.0000077200000000, 0.0000265800000000 ]- atom: 15 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002122600000000, 0.0005696200000000, -0.0003732500000000 ] - [ 0.0000676000000000, 0.0000238800000000, -0.0000478000000000 ] - [ -0.0001147900000000, 0.0000927200000000, 0.0000312500000000 ] - [ -0.0001151300000000, -0.0000541900000000, 0.0000425800000000 ] - [ 0.0016047300000000, 0.0002129800000000, -0.0004641400000000 ] - [ 0.0000663800000000, 0.0001206500000000, -0.0000670200000000 ] - [ -0.0000546600000000, -0.0001294700000000, 0.0000549600000000 ] - [ 0.0010385400000000, -0.0005379700000000, -0.0006420600000000 ] - [ 0.0040165100000000, -0.0031508700000000, -0.0020083100000000 ] - [ 0.0000843700000000, 0.0002609700000000, -0.0000615100000000 ] - [ -0.0034777800000000, -0.0043656400000000, 0.0021283600000000 ] - [ 0.0000154500000000, 0.0000835100000000, 0.0000926900000000 ] - [ -0.0000409400000000, -0.0001227800000000, 0.0001408500000000 ] - [ -0.0014125300000000, -0.0002504900000000, 0.0013360800000000 ] - [ 0.0135255700000000, 0.0265199600000000, 0.0108964500000000 ] - [ 0.0000518400000000, 0.0001660200000000, 0.0000866600000000 ] - [ 0.0000259400000000, -0.0002371000000000, 0.0000720700000000 ] - [ 0.0000419100000000, 0.0002265700000000, 0.0000775400000000 ] - [ -0.0000810000000000, -0.0000175400000000, 0.0009354900000000 ] - [ 0.0000267000000000, -0.0000603100000000, 0.0002710000000000 ] - [ -0.0003639100000000, -0.0006287200000000, 0.0000083800000000 ] - [ -0.0001070100000000, 0.0000058700000000, 0.0000161700000000 ] - [ -0.0002026900000000, -0.0002194800000000, 0.0000016100000000 ] - [ -0.0001759500000000, 0.0002218900000000, 0.0000109800000000 ] - [ 0.0008043300000000, -0.0006300300000000, -0.0010101000000000 ] - [ -0.0000054000000000, 0.0000573900000000, -0.0001488400000000 ] - [ -0.0000912400000000, -0.0001682200000000, 0.0000843800000000 ] - [ -0.0000836700000000, 0.0001285400000000, 0.0000313900000000 ] - [ 0.0000585700000000, 0.0000565600000000, -0.0001023700000000 ] - [ 0.0000302800000000, -0.0000636300000000, -0.0001868600000000 ] - [ -0.0000441800000000, -0.0000932700000000, 0.0000253900000000 ] - [ -0.0000677600000000, 0.0001033600000000, -0.0000300200000000 ] - [ -0.0000289700000000, 0.0000973500000000, -0.0000666300000000 ] - [ -0.0000220100000000, -0.0001102900000000, -0.0000539800000000 ] - [ 0.0000341900000000, 0.0001510100000000, 0.0000358000000000 ] - [ 0.0000295800000000, -0.0001625100000000, 0.0000570600000000 ] - [ -0.0000610400000000, -0.0000412600000000, -0.0000851100000000 ] - [ -0.0000589300000000, 0.0000188200000000, -0.0000985700000000 ] - [ -0.0000870300000000, -0.0000318100000000, -0.0000508000000000 ] - [ -0.0000821700000000, 0.0000256300000000, -0.0000441500000000 ] - [ -0.0000545600000000, -0.0000581300000000, -0.0000338600000000 ] - [ -0.0000927200000000, -0.0000393100000000, 0.0000193200000000 ] - [ 0.0003638200000000, 0.0000331300000000, -0.0000683600000000 ] - [ 0.0002376000000000, 0.0000161100000000, -0.0000148800000000 ] - [ 0.0001406500000000, 0.0001568600000000, -0.0001036900000000 ] - [ -0.0000273800000000, -0.0001078000000000, -0.0000613200000000 ] - [ -0.0000553100000000, 0.0002734900000000, 0.0000502700000000 ] - [ 0.0000416900000000, -0.0002568700000000, -0.0001016400000000 ] - [ -0.0020239000000000, -0.0014845500000000, -0.0006832300000000 ] - [ 0.0001427000000000, 0.0000928900000000, -0.0000412500000000 ] - [ 0.0000703000000000, -0.0004224100000000, -0.0004426700000000 ] - [ 0.0001622200000000, -0.0000459400000000, 0.0001164800000000 ] - [ -0.0001209700000000, -0.0000368500000000, 0.0001280700000000 ] - [ -0.0005744000000000, -0.0002017600000000, -0.0008559200000000 ] - [ -0.0000775000000000, -0.0000534700000000, -0.0000066100000000 ] - [ -0.0001654000000000, 0.0000170200000000, 0.0000129900000000 ] - [ 0.0000958400000000, -0.0000486200000000, -0.0000148900000000 ] - [ 0.0000820200000000, 0.0000377500000000, -0.0000043000000000 ] - [ -0.0000309300000000, 0.0001153300000000, 0.0000351700000000 ] - [ -0.0001221600000000, -0.0001452700000000, 0.0002132500000000 ] - [ 0.0000941300000000, -0.0001656400000000, -0.0001137300000000 ] - [ 0.0001049700000000, 0.0001572200000000, -0.0000891600000000 ] - [ 0.0001077700000000, 0.0000275300000000, -0.0000297900000000 ] - [ 0.0000177500000000, 0.0001183500000000, -0.0000916900000000 ] - [ -0.0001680500000000, 0.0002698600000000, -0.0000902400000000 ] - [ 0.0005339600000000, -0.0014724700000000, 0.0000584900000000 ] - [ -0.0141561800000000, -0.0096510400000000, -0.0025213600000000 ] - [ -0.0000693300000000, 0.0000152500000000, -0.0000353400000000 ] - [ 0.0000002500000000, 0.0001271900000000, -0.0001181100000000 ] - [ 0.0009245300000000, -0.0054770700000000, -0.0068440700000000 ] - [ -0.0001739900000000, -0.0001441300000000, -0.0000039700000000 ] - [ -0.0000735800000000, 0.0001466500000000, -0.0000722200000000 ] - [ 0.0001088300000000, 0.0001619600000000, -0.0001209700000000 ] - [ 0.0001207800000000, -0.0001981200000000, 0.0002444700000000 ] - [ 0.0002433300000000, 0.0000317900000000, -0.0001535100000000 ] - [ 0.0003667200000000, 0.0001460600000000, 0.0000043400000000 ] - [ -0.0001224700000000, -0.0000501500000000, 0.0000320400000000 ] - [ -0.0000888800000000, 0.0001168900000000, 0.0000330500000000 ] - [ 0.0000079300000000, -0.0000030100000000, 0.0000040300000000 ] - [ 0.0000102100000000, -0.0000763400000000, 0.0000617100000000 ] - [ 0.0001036100000000, -0.0000378800000000, -0.0000520300000000 ] - [ 0.0001160500000000, 0.0000384900000000, -0.0000186600000000 ] - [ -0.0000562600000000, 0.0000514600000000, 0.0000501300000000 ] - [ -0.0007441200000000, 0.0006612900000000, 0.0004571300000000 ] - [ 0.0005876300000000, 0.0005011600000000, -0.0005210400000000 ] - [ -0.0000366700000000, 0.0002512300000000, 0.0000146000000000 ] - [ -0.0002721200000000, -0.0014840600000000, 0.0007610200000000 ] - [ -0.0000097600000000, 0.0000282000000000, 0.0001163100000000 ]- atom: 15 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ -0.0004878000000000, 0.0002733300000000, 0.0000706000000000 ] - [ 0.0000654900000000, 0.0000142900000000, -0.0001008000000000 ] - [ -0.0001085000000000, 0.0000766900000000, -0.0000178200000000 ] - [ -0.0001318200000000, -0.0000947300000000, 0.0000496300000000 ] - [ 0.0036510700000000, -0.0011544500000000, 0.0004176500000000 ] - [ 0.0000560900000000, 0.0002574000000000, 0.0001344100000000 ] - [ -0.0000606100000000, -0.0001050300000000, 0.0000475800000000 ] - [ -0.0018474200000000, 0.0022884400000000, 0.0061315500000000 ] - [ -0.0012958400000000, 0.0020362500000000, -0.0002495700000000 ] - [ 0.0000696400000000, 0.0003665200000000, -0.0000028000000000 ] - [ 0.0003595600000000, 0.0008286200000000, -0.0001209300000000 ] - [ 0.0000425400000000, 0.0002176900000000, 0.0002205100000000 ] - [ -0.0000120100000000, -0.0000534600000000, 0.0001801200000000 ] - [ -0.0013036200000000, -0.0028376900000000, 0.0037849500000000 ] - [ 0.0214577500000000, -0.0107494000000000, -0.0585186600000000 ] - [ 0.0000411800000000, 0.0001793800000000, 0.0001158000000000 ] - [ -0.0000043700000000, -0.0002090400000000, 0.0000458100000000 ] - [ 0.0001408800000000, 0.0002100600000000, 0.0003532900000000 ] - [ -0.0011198700000000, -0.0003563200000000, 0.0028820200000000 ] - [ 0.0001482300000000, 0.0000506500000000, 0.0001839900000000 ] - [ -0.0001555900000000, -0.0000563300000000, -0.0000486000000000 ] - [ -0.0000726700000000, -0.0000873200000000, 0.0002968200000000 ] - [ -0.0002155000000000, -0.0001001000000000, -0.0000001300000000 ] - [ -0.0002141500000000, 0.0002878400000000, 0.0001256400000000 ] - [ -0.0012068500000000, 0.0003221400000000, 0.0012074600000000 ] - [ 0.0000009400000000, 0.0000845400000000, -0.0001423000000000 ] - [ -0.0000930100000000, -0.0001150800000000, -0.0000059700000000 ] - [ -0.0000592800000000, 0.0001296700000000, 0.0001420600000000 ] - [ 0.0000685500000000, 0.0000599600000000, -0.0001221200000000 ] - [ 0.0000718700000000, -0.0000129400000000, -0.0001724300000000 ] - [ -0.0000507700000000, -0.0001004200000000, -0.0000168900000000 ] - [ -0.0000306500000000, 0.0000194600000000, 0.0001551400000000 ] - [ -0.0000165700000000, 0.0001395500000000, -0.0000819700000000 ] - [ -0.0001049800000000, -0.0001941000000000, -0.0000139300000000 ] - [ -0.0000496600000000, 0.0002020400000000, 0.0000979100000000 ] - [ 0.0000243500000000, -0.0001411000000000, 0.0000476000000000 ] - [ -0.0000559300000000, 0.0000054600000000, -0.0001189900000000 ] - [ -0.0001148800000000, 0.0000372900000000, -0.0000419700000000 ] - [ -0.0001696000000000, -0.0000452900000000, -0.0000246000000000 ] - [ -0.0000895600000000, 0.0000442300000000, -0.0000427300000000 ] - [ -0.0000407400000000, -0.0000420100000000, -0.0000135400000000 ] - [ -0.0003175900000000, -0.0000131100000000, 0.0001680800000000 ] - [ 0.0002117500000000, 0.0000144100000000, -0.0001753100000000 ] - [ 0.0002458100000000, 0.0000541200000000, 0.0000326300000000 ] - [ -0.0000460100000000, 0.0000450900000000, -0.0001809600000000 ] - [ -0.0000249900000000, -0.0001074700000000, -0.0000180200000000 ] - [ -0.0000173700000000, 0.0001271000000000, -0.0000816200000000 ] - [ 0.0000814400000000, -0.0001867300000000, -0.0000563300000000 ] - [ 0.0008208800000000, -0.0006697400000000, -0.0012486900000000 ] - [ 0.0001457200000000, 0.0000724800000000, 0.0000181100000000 ] - [ 0.0007204400000000, 0.0007811400000000, 0.0007968900000000 ] - [ 0.0001898500000000, -0.0000636500000000, 0.0001310800000000 ] - [ -0.0001182500000000, -0.0000906200000000, 0.0000917900000000 ] - [ 0.0010409600000000, 0.0006342300000000, 0.0016795800000000 ] - [ -0.0000704500000000, -0.0000289100000000, 0.0000301300000000 ] - [ -0.0000483200000000, 0.0000537500000000, -0.0000797000000000 ] - [ -0.0000502200000000, -0.0000022600000000, 0.0001542200000000 ] - [ 0.0000584700000000, 0.0000778800000000, -0.0000440300000000 ] - [ -0.0000446600000000, 0.0001363100000000, 0.0000828000000000 ] - [ -0.0002020400000000, -0.0002383600000000, 0.0000927200000000 ] - [ 0.0001044100000000, -0.0001145400000000, -0.0000428000000000 ] - [ 0.0001419400000000, 0.0001253300000000, -0.0001484100000000 ] - [ 0.0000476700000000, -0.0000690300000000, -0.0000395700000000 ] - [ 0.0000665400000000, 0.0001572300000000, -0.0001249800000000 ] - [ -0.0003348700000000, -0.0003159100000000, -0.0002354900000000 ] - [ -0.0004368600000000, -0.0009014400000000, 0.0004709400000000 ] - [ -0.0015616600000000, 0.0025376300000000, 0.0102357900000000 ] - [ -0.0001299100000000, -0.0001598400000000, -0.0001697300000000 ] - [ -0.0000235300000000, 0.0000601200000000, -0.0001556400000000 ] - [ -0.0195614100000000, 0.0061666900000000, 0.0342589800000000 ] - [ 0.0001820800000000, -0.0003040400000000, -0.0009109400000000 ] - [ -0.0001096500000000, -0.0001076100000000, 0.0000642700000000 ] - [ 0.0001451200000000, 0.0001202500000000, 0.0000621800000000 ] - [ -0.0001932200000000, 0.0001939300000000, -0.0003852900000000 ] - [ 0.0008216600000000, 0.0003797700000000, -0.0003720200000000 ] - [ 0.0000638000000000, -0.0002471600000000, 0.0001903900000000 ] - [ -0.0000029500000000, -0.0001766300000000, 0.0000711300000000 ] - [ -0.0001072000000000, 0.0000551700000000, 0.0000074700000000 ] - [ 0.0005842600000000, 0.0002293400000000, -0.0000483000000000 ] - [ 0.0000065700000000, -0.0000804500000000, -0.0000153300000000 ] - [ 0.0001275100000000, -0.0000514700000000, -0.0000353700000000 ] - [ 0.0002679400000000, 0.0001449900000000, -0.0001435500000000 ] - [ -0.0000658300000000, 0.0000555200000000, -0.0000042600000000 ] - [ 0.0016472500000000, 0.0001619500000000, -0.0014244600000000 ] - [ -0.0004996500000000, -0.0000453900000000, -0.0002454500000000 ] - [ -0.0000761200000000, 0.0001874200000000, 0.0001432900000000 ] - [ -0.0008804100000000, -0.0002257400000000, 0.0009106000000000 ] - [ 0.0001152000000000, -0.0000484200000000, -0.0001405900000000 ]- atom: 15 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0006388000000000, -0.0002929600000000, -0.0001908000000000 ] - [ 0.0000748700000000, 0.0000057000000000, -0.0000354800000000 ] - [ -0.0001492700000000, 0.0000955800000000, 0.0000878000000000 ] - [ -0.0001266000000000, -0.0000773300000000, 0.0000197500000000 ] - [ -0.0035084500000000, 0.0008086000000000, -0.0004437200000000 ] - [ 0.0000652700000000, 0.0000803300000000, -0.0001609700000000 ] - [ -0.0001173800000000, -0.0000626500000000, -0.0000359300000000 ] - [ 0.0016987600000000, -0.0021275200000000, -0.0061798200000000 ] - [ 0.0014279500000000, -0.0026342000000000, 0.0001394300000000 ] - [ 0.0000688300000000, 0.0002088300000000, -0.0001185200000000 ] - [ -0.0003304100000000, -0.0011300700000000, 0.0003753500000000 ] - [ 0.0000074100000000, 0.0000546500000000, 0.0000287700000000 ] - [ -0.0000971500000000, -0.0001184100000000, 0.0001218600000000 ] - [ 0.0012071400000000, 0.0030713500000000, -0.0035799800000000 ] - [ -0.0223572100000000, 0.0109278700000000, 0.0604608500000000 ] - [ 0.0000314300000000, 0.0001796100000000, 0.0000556000000000 ] - [ -0.0000207800000000, -0.0001971600000000, 0.0000912700000000 ] - [ -0.0001680300000000, 0.0001957000000000, -0.0002160400000000 ] - [ 0.0012299300000000, 0.0003308900000000, -0.0023173200000000 ] - [ -0.0000166200000000, -0.0000456100000000, 0.0003015200000000 ] - [ -0.0000124200000000, 0.0000855300000000, 0.0001955000000000 ] - [ -0.0000977600000000, 0.0000613200000000, -0.0001491700000000 ] - [ -0.0001808000000000, -0.0003066600000000, 0.0000369700000000 ] - [ -0.0001828300000000, 0.0001179400000000, -0.0000884800000000 ] - [ 0.0011565000000000, -0.0004676800000000, -0.0014625400000000 ] - [ -0.0000310200000000, 0.0000750600000000, -0.0001263100000000 ] - [ -0.0000719700000000, -0.0001139900000000, 0.0000686600000000 ] - [ -0.0001059200000000, 0.0000997100000000, -0.0000781500000000 ] - [ 0.0000605300000000, 0.0000284700000000, -0.0001926300000000 ] - [ 0.0000576500000000, -0.0000772400000000, -0.0001389000000000 ] - [ -0.0000106500000000, -0.0000700100000000, 0.0000530900000000 ] - [ -0.0000320400000000, 0.0001499400000000, -0.0001179500000000 ] - [ 0.0000079500000000, 0.0000764800000000, -0.0000414800000000 ] - [ 0.0000951300000000, -0.0000221100000000, -0.0001090900000000 ] - [ 0.0001438200000000, 0.0000651700000000, 0.0000302000000000 ] - [ 0.0000708700000000, -0.0001254800000000, 0.0000806200000000 ] - [ -0.0000129400000000, -0.0000135100000000, -0.0001056700000000 ] - [ 0.0000453100000000, -0.0000292800000000, -0.0001821300000000 ] - [ 0.0000330200000000, -0.0000165500000000, -0.0000421300000000 ] - [ -0.0000466800000000, 0.0000175400000000, -0.0000245900000000 ] - [ -0.0000355300000000, -0.0000339500000000, -0.0000204600000000 ] - [ 0.0002392200000000, 0.0000900600000000, -0.0002016100000000 ] - [ 0.0002951900000000, -0.0000841700000000, 0.0001803900000000 ] - [ 0.0002600200000000, 0.0000167100000000, -0.0000274700000000 ] - [ 0.0000517100000000, 0.0000524400000000, 0.0000252300000000 ] - [ 0.0000304700000000, 0.0000092900000000, -0.0001381000000000 ] - [ 0.0001064300000000, 0.0002888100000000, -0.0000461200000000 ] - [ 0.0000080700000000, -0.0002289300000000, -0.0000727800000000 ] - [ -0.0005780700000000, 0.0004474700000000, 0.0011634900000000 ] - [ 0.0001394900000000, 0.0001316800000000, -0.0000936100000000 ] - [ -0.0003964700000000, -0.0007903100000000, -0.0006236800000000 ] - [ 0.0001259900000000, 0.0000868200000000, 0.0000302800000000 ] - [ -0.0001567000000000, 0.0000210200000000, 0.0001311600000000 ] - [ -0.0013349900000000, -0.0005782100000000, -0.0014844700000000 ] - [ -0.0000421200000000, -0.0000756000000000, -0.0000183300000000 ] - [ -0.0000667000000000, 0.0000513000000000, 0.0000917000000000 ] - [ 0.0001906500000000, -0.0000643300000000, -0.0001720700000000 ] - [ 0.0000810500000000, -0.0000114700000000, 0.0000263800000000 ] - [ -0.0000590200000000, 0.0001681300000000, 0.0001492000000000 ] - [ 0.0000986900000000, -0.0000660600000000, 0.0001428300000000 ] - [ 0.0000637000000000, -0.0001968700000000, -0.0001703400000000 ] - [ 0.0000262700000000, 0.0001867300000000, -0.0000657900000000 ] - [ -0.0000860900000000, -0.0001291300000000, -0.0001044600000000 ] - [ -0.0001062600000000, 0.0000440300000000, -0.0000210000000000 ] - [ -0.0000054800000000, 0.0005238500000000, -0.0001434500000000 ] - [ 0.0001004300000000, 0.0006949500000000, -0.0008644400000000 ] - [ 0.0013529700000000, -0.0023760900000000, -0.0102754500000000 ] - [ -0.0000607600000000, 0.0000000700000000, 0.0001385300000000 ] - [ 0.0000949700000000, 0.0000835100000000, 0.0000310600000000 ] - [ 0.0206375500000000, -0.0068377100000000, -0.0360490900000000 ] - [ -0.0001469400000000, 0.0003399400000000, 0.0008476200000000 ] - [ 0.0001411700000000, 0.0000727300000000, -0.0001362100000000 ] - [ 0.0000510500000000, -0.0001512700000000, -0.0000277000000000 ] - [ 0.0003913200000000, -0.0001639600000000, 0.0004130100000000 ] - [ -0.0004953400000000, -0.0003170600000000, 0.0001797100000000 ] - [ 0.0002541300000000, 0.0001850300000000, -0.0003880300000000 ] - [ -0.0001931500000000, -0.0000799300000000, 0.0000341700000000 ] - [ -0.0000881900000000, 0.0002013400000000, 0.0000947900000000 ] - [ -0.0005725300000000, -0.0000646000000000, 0.0001136900000000 ] - [ 0.0000065900000000, -0.0000813900000000, 0.0000753200000000 ] - [ 0.0000284500000000, -0.0000457900000000, -0.0000658900000000 ] - [ -0.0001110300000000, -0.0000483500000000, 0.0000416200000000 ] - [ -0.0001377000000000, 0.0000089600000000, 0.0000557700000000 ] - [ -0.0018453900000000, -0.0002341300000000, 0.0014699700000000 ] - [ 0.0004655100000000, -0.0001557700000000, 0.0003039700000000 ] - [ 0.0000163200000000, 0.0000097600000000, -0.0000643800000000 ] - [ 0.0009034500000000, 0.0002047100000000, -0.0007579300000000 ] - [ -0.0000866500000000, 0.0000879000000000, 0.0002835500000000 ]- atom: 17 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000351000000000, 0.0000177700000000, -0.0000457000000000 ] - [ -0.0000168100000000, 0.0000282300000000, -0.0001150200000000 ] - [ -0.0001172600000000, 0.0000944700000000, 0.0000345900000000 ] - [ 0.0006908200000000, -0.0003317000000000, 0.0004342500000000 ] - [ 0.0000937600000000, -0.0002264000000000, 0.0000377800000000 ] - [ 0.0000752800000000, 0.0002039000000000, 0.0000151800000000 ] - [ 0.0009593600000000, 0.0001516900000000, 0.0014175400000000 ] - [ -0.0000978400000000, 0.0000875700000000, -0.0000159200000000 ] - [ 0.0001421600000000, -0.0000623000000000, -0.0000973300000000 ] - [ 0.0000542900000000, 0.0004130000000000, 0.0000343500000000 ] - [ 0.0002818600000000, -0.0005412000000000, 0.0000506300000000 ] - [ 0.0000601300000000, 0.0000580300000000, 0.0001460800000000 ] - [ 0.0005786500000000, 0.0000333700000000, 0.0008751200000000 ] - [ -0.0001785200000000, 0.0000468000000000, 0.0000835600000000 ] - [ -0.0000616900000000, -0.0002160300000000, 0.0000911300000000 ] - [ -0.0001519100000000, 0.0002315500000000, 0.0002387700000000 ] - [ -0.0864129700000000, 0.0119554900000000, -0.0211464300000000 ] - [ -0.0001042100000000, 0.0001881900000000, 0.0000635000000000 ] - [ -0.0000334500000000, -0.0000055000000000, 0.0002764000000000 ] - [ -0.0012081800000000, -0.0002115200000000, -0.0008291500000000 ] - [ -0.0004948100000000, -0.0020760500000000, 0.0007230200000000 ] - [ -0.0001035900000000, -0.0000060900000000, 0.0000684600000000 ] - [ 0.0001381700000000, 0.0005019900000000, -0.0003466600000000 ] - [ -0.0002422500000000, 0.0002668300000000, 0.0000640300000000 ] - [ -0.0000705100000000, -0.0000767600000000, -0.0001400800000000 ] - [ -0.0006773800000000, 0.0024017900000000, 0.0043728700000000 ] - [ 0.0023595200000000, 0.0019377900000000, -0.0008091900000000 ] - [ -0.0000864100000000, 0.0001799200000000, 0.0001144300000000 ] - [ 0.0000197400000000, -0.0000679100000000, -0.0002792500000000 ] - [ -0.0000049900000000, -0.0001693000000000, -0.0000673300000000 ] - [ 0.0057438400000000, -0.0036521600000000, -0.0040587500000000 ] - [ -0.0000202900000000, 0.0000552800000000, 0.0000571800000000 ] - [ -0.0000642800000000, 0.0000215600000000, 0.0000448000000000 ] - [ -0.0000332100000000, -0.0001905600000000, -0.0001321300000000 ] - [ 0.0000493500000000, 0.0001871900000000, 0.0000456700000000 ] - [ 0.0001921600000000, 0.0000404300000000, 0.0001123200000000 ] - [ 0.0001432100000000, 0.0002022800000000, -0.0001900600000000 ] - [ 0.0000307600000000, 0.0000140600000000, -0.0001311600000000 ] - [ -0.0000141900000000, -0.0000304400000000, -0.0000335300000000 ] - [ 0.0005752300000000, -0.0000662600000000, 0.0003097200000000 ] - [ 0.0003923800000000, -0.0000125200000000, -0.0000654300000000 ] - [ 0.0000782400000000, 0.0000577800000000, -0.0000430200000000 ] - [ 0.0004501800000000, -0.0001058700000000, 0.0000945000000000 ] - [ 0.0004410000000000, 0.0000920800000000, 0.0001176800000000 ] - [ 0.0001070700000000, -0.0000384700000000, -0.0001247600000000 ] - [ 0.0002378600000000, 0.0001262900000000, -0.0001226800000000 ] - [ 0.0001433800000000, 0.0002283100000000, -0.0000856500000000 ] - [ 0.0002158000000000, -0.0002967300000000, 0.0000503300000000 ] - [ 0.0002263600000000, -0.0001357200000000, -0.0000657200000000 ] - [ 0.0002927900000000, 0.0000615900000000, -0.0000005400000000 ] - [ 0.0000696200000000, -0.0001116300000000, 0.0001048700000000 ] - [ 0.0002134900000000, -0.0003039700000000, -0.0014589400000000 ] - [ -0.0006381100000000, -0.0001657600000000, -0.0006555000000000 ] - [ -0.0002765700000000, -0.0001099100000000, 0.0001323100000000 ] - [ 0.0000911400000000, 0.0000170700000000, 0.0001827700000000 ] - [ 0.0000878800000000, 0.0001967100000000, -0.0000418400000000 ] - [ 0.0001527700000000, 0.0000125100000000, -0.0000186000000000 ] - [ 0.0003864800000000, -0.0000367700000000, -0.0001276200000000 ] - [ 0.0002595600000000, 0.0001829300000000, 0.0006510600000000 ] - [ -0.0000078200000000, -0.0001750000000000, 0.0000651100000000 ] - [ -0.0003008700000000, 0.0003152900000000, 0.0000548300000000 ] - [ -0.0001289100000000, 0.0002953100000000, -0.0002751000000000 ] - [ -0.0003691500000000, -0.0000974400000000, 0.0000419100000000 ] - [ -0.0002476600000000, 0.0000292700000000, -0.0001211700000000 ] - [ -0.0006437400000000, 0.0004582800000000, -0.0007691300000000 ] - [ -0.0004240600000000, 0.0002916500000000, 0.0000757700000000 ] - [ -0.0001209300000000, 0.0004683200000000, -0.0001988700000000 ] - [ -0.0000491700000000, -0.0004044600000000, 0.0003031200000000 ] - [ 0.0005223100000000, -0.0003501000000000, -0.0009124900000000 ] - [ 0.0004573400000000, -0.0003165800000000, 0.0001118700000000 ] - [ 0.0002928100000000, 0.0000225300000000, -0.0001060200000000 ] - [ 0.0265812700000000, 0.0020251100000000, 0.0209446600000000 ] - [ 0.0501647800000000, -0.0135444200000000, 0.0002773200000000 ] - [ 0.0001752700000000, -0.0000247200000000, -0.0001007100000000 ] - [ 0.0003080500000000, -0.0000101400000000, -0.0000351400000000 ] - [ 0.0025047900000000, -0.0001208800000000, 0.0008718500000000 ] - [ 0.0019774100000000, 0.0002656900000000, 0.0007318600000000 ] - [ -0.0001483200000000, -0.0000145700000000, -0.0000207500000000 ] - [ 0.0000158000000000, 0.0001242800000000, 0.0001608500000000 ] - [ -0.0017319000000000, -0.0003064100000000, -0.0011545000000000 ] - [ -0.0010075100000000, 0.0001162400000000, 0.0004412800000000 ] - [ -0.0001192400000000, 0.0001219100000000, -0.0000289200000000 ] - [ -0.0005492900000000, 0.0000982000000000, 0.0000863000000000 ] - [ -0.0004270900000000, -0.0000345100000000, -0.0000268900000000 ] - [ -0.0000957900000000, -0.0000641100000000, 0.0000388900000000 ] - [ -0.0010562200000000, -0.0000509000000000, -0.0002899200000000 ] - [ -0.0004322900000000, -0.0000179100000000, -0.0000406900000000 ] - [ -0.0000998400000000, -0.0001468500000000, 0.0000777700000000 ]- atom: 17 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0001075100000000, -0.0000366000000000, -0.0000911400000000 ] - [ 0.0001590000000000, -0.0000089400000000, -0.0000230400000000 ] - [ -0.0001417900000000, 0.0000778700000000, 0.0000339200000000 ] - [ -0.0009690700000000, 0.0001611200000000, -0.0003881500000000 ] - [ 0.0000281100000000, -0.0001079500000000, -0.0000657800000000 ] - [ 0.0000464900000000, 0.0001305300000000, -0.0000426700000000 ] - [ -0.0011242400000000, -0.0003131700000000, -0.0013816300000000 ] - [ -0.0000815500000000, 0.0000806000000000, 0.0000289000000000 ] - [ -0.0000008200000000, -0.0005104700000000, -0.0000243700000000 ] - [ 0.0000860100000000, 0.0001625400000000, -0.0001546100000000 ] - [ -0.0002274900000000, 0.0002655700000000, 0.0001969300000000 ] - [ -0.0000086700000000, 0.0002133200000000, 0.0001020200000000 ] - [ -0.0006911500000000, -0.0002040100000000, -0.0005764700000000 ] - [ 0.0000666800000000, 0.0001243600000000, 0.0002190400000000 ] - [ 0.0001340600000000, -0.0001427500000000, 0.0000778900000000 ] - [ 0.0002229000000000, 0.0001270700000000, -0.0000674900000000 ] - [ 0.0888484800000000, -0.0132087900000000, 0.0213367300000000 ] - [ 0.0000746200000000, 0.0002168300000000, 0.0000705800000000 ] - [ 0.0001645100000000, 0.0000017700000000, 0.0002116500000000 ] - [ 0.0013474800000000, 0.0002004700000000, 0.0013532700000000 ] - [ 0.0003448000000000, 0.0021104500000000, -0.0005764200000000 ] - [ -0.0000679500000000, -0.0000182200000000, 0.0000765700000000 ] - [ -0.0005199100000000, -0.0008865900000000, 0.0003965500000000 ] - [ -0.0001569300000000, 0.0001367300000000, -0.0000275500000000 ] - [ 0.0000402400000000, -0.0000831200000000, -0.0001299900000000 ] - [ 0.0006692400000000, -0.0022599100000000, -0.0046542000000000 ] - [ -0.0025631900000000, -0.0021946100000000, 0.0008984300000000 ] - [ -0.0000786600000000, 0.0000460800000000, -0.0000519300000000 ] - [ 0.0001124400000000, 0.0001617800000000, -0.0000320100000000 ] - [ 0.0001405300000000, 0.0000751400000000, -0.0002414200000000 ] - [ -0.0058934600000000, 0.0035183900000000, 0.0041427100000000 ] - [ -0.0000389400000000, 0.0001175500000000, -0.0000196400000000 ] - [ 0.0000646700000000, 0.0001905900000000, -0.0001648500000000 ] - [ 0.0000300100000000, -0.0000236400000000, 0.0000122200000000 ] - [ 0.0000492800000000, 0.0000791100000000, 0.0000845200000000 ] - [ -0.0000896700000000, -0.0003053000000000, 0.0000217100000000 ] - [ -0.0002033600000000, -0.0002091900000000, -0.0000398600000000 ] - [ -0.0000990200000000, -0.0000067000000000, -0.0000954900000000 ] - [ -0.0001205900000000, -0.0000281500000000, -0.0000276500000000 ] - [ -0.0007131300000000, 0.0001251600000000, -0.0003725600000000 ] - [ -0.0004651300000000, -0.0000617800000000, 0.0000373100000000 ] - [ -0.0001525900000000, 0.0000171100000000, 0.0000122200000000 ] - [ 0.0000579200000000, 0.0000358800000000, -0.0000903200000000 ] - [ 0.0000672800000000, -0.0000215300000000, -0.0001124400000000 ] - [ -0.0001034700000000, 0.0001352900000000, -0.0000296400000000 ] - [ -0.0002332600000000, -0.0002216000000000, -0.0000301900000000 ] - [ -0.0000582900000000, 0.0001844700000000, -0.0000404400000000 ] - [ -0.0001305900000000, -0.0001170700000000, -0.0001739900000000 ] - [ 0.0000573400000000, -0.0000721400000000, -0.0000103000000000 ] - [ -0.0000084700000000, 0.0001450600000000, -0.0000746800000000 ] - [ 0.0002470400000000, 0.0000856700000000, 0.0000574700000000 ] - [ 0.0001083700000000, 0.0003238600000000, 0.0016102900000000 ] - [ 0.0003658100000000, 0.0000962700000000, 0.0008898400000000 ] - [ -0.0000023800000000, 0.0001782400000000, 0.0000940600000000 ] - [ -0.0001973500000000, -0.0001204300000000, -0.0001704900000000 ] - [ -0.0001959600000000, -0.0000904500000000, 0.0000493500000000 ] - [ -0.0000145400000000, -0.0000760100000000, -0.0000006900000000 ] - [ -0.0002487000000000, 0.0000997900000000, 0.0001067600000000 ] - [ -0.0003503700000000, 0.0001212400000000, -0.0004034300000000 ] - [ -0.0000972400000000, -0.0001322300000000, 0.0001669600000000 ] - [ 0.0004713400000000, -0.0006308600000000, -0.0002681400000000 ] - [ 0.0002972400000000, 0.0000147000000000, 0.0000616600000000 ] - [ 0.0003249800000000, -0.0001002200000000, -0.0001860000000000 ] - [ 0.0002048100000000, 0.0001717300000000, -0.0000251200000000 ] - [ 0.0003132600000000, -0.0002396800000000, 0.0003822400000000 ] - [ 0.0000895600000000, -0.0005024800000000, -0.0004545200000000 ] - [ -0.0000662000000000, -0.0003084100000000, 0.0001675100000000 ] - [ -0.0001377200000000, 0.0002437100000000, -0.0003315400000000 ] - [ -0.0004434000000000, 0.0004946200000000, 0.0007826400000000 ] - [ -0.0003836400000000, 0.0001686000000000, -0.0002339400000000 ] - [ -0.0002597000000000, 0.0000135800000000, 0.0000380700000000 ] - [ -0.0267547800000000, -0.0021301300000000, -0.0214960500000000 ] - [ -0.0521430700000000, 0.0144362700000000, 0.0000897900000000 ] - [ 0.0000218000000000, 0.0000556900000000, 0.0001298200000000 ] - [ 0.0000088000000000, 0.0000710700000000, -0.0001572800000000 ] - [ -0.0022043400000000, 0.0000700100000000, -0.0010861000000000 ] - [ -0.0022275700000000, -0.0005487900000000, -0.0006378300000000 ] - [ -0.0000455100000000, 0.0002706700000000, 0.0001224200000000 ] - [ -0.0000052000000000, 0.0000337200000000, -0.0000932100000000 ] - [ 0.0017496300000000, 0.0001570800000000, 0.0012310600000000 ] - [ 0.0011494800000000, -0.0002089600000000, -0.0005535600000000 ] - [ 0.0002762300000000, -0.0000244900000000, -0.0000765300000000 ] - [ 0.0003432200000000, -0.0000361800000000, -0.0000362500000000 ] - [ 0.0002205500000000, -0.0000278600000000, 0.0000791300000000 ] - [ 0.0000340300000000, -0.0001296100000000, 0.0000387200000000 ] - [ 0.0009874100000000, 0.0002413800000000, 0.0003624100000000 ] - [ 0.0004583600000000, -0.0000213900000000, 0.0001837900000000 ] - [ 0.0001275500000000, 0.0001817000000000, 0.0000644600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000804100000000, -0.0000425900000000, -0.0000696000000000 ] - [ 0.0000793300000000, 0.0000022300000000, -0.0000647200000000 ] - [ -0.0001290000000000, 0.0000710000000000, 0.0000218100000000 ] - [ -0.0003646400000000, -0.0006654200000000, 0.0003254200000000 ] - [ 0.0000557000000000, -0.0001265200000000, -0.0000528700000000 ] - [ 0.0000609900000000, 0.0001577700000000, -0.0000138100000000 ] - [ 0.0006363000000000, 0.0003927700000000, 0.0008069600000000 ] - [ -0.0000787200000000, 0.0001018200000000, 0.0000130200000000 ] - [ 0.0000479900000000, -0.0002561300000000, -0.0000535900000000 ] - [ 0.0000880700000000, 0.0002715400000000, -0.0000504700000000 ] - [ -0.0001088900000000, 0.0002214500000000, 0.0001600700000000 ] - [ 0.0000019200000000, 0.0001205300000000, 0.0001736700000000 ] - [ -0.0001885100000000, -0.0000590200000000, -0.0004435400000000 ] - [ -0.0000960500000000, 0.0001525300000000, 0.0001236800000000 ] - [ 0.0000811000000000, -0.0001464100000000, 0.0000812200000000 ] - [ 0.0000931800000000, 0.0001561500000000, 0.0000802200000000 ] - [ 0.0126783800000000, -0.0250968800000000, -0.0112296100000000 ] - [ 0.0000034000000000, 0.0002173200000000, 0.0000701500000000 ] - [ 0.0000714800000000, 0.0000346400000000, 0.0002524400000000 ] - [ -0.0012749600000000, 0.0002755100000000, -0.0009620000000000 ] - [ -0.0033267400000000, 0.0035098900000000, -0.0016087300000000 ] - [ -0.0000986700000000, 0.0000502000000000, 0.0001009100000000 ] - [ 0.0033873100000000, 0.0022629000000000, 0.0017519200000000 ] - [ -0.0001821700000000, 0.0002348000000000, 0.0000217400000000 ] - [ 0.0000136300000000, -0.0000406000000000, -0.0001836100000000 ] - [ 0.0011117800000000, 0.0007655300000000, 0.0007820800000000 ] - [ 0.0014922400000000, -0.0004354500000000, 0.0004888900000000 ] - [ -0.0000787600000000, 0.0001602600000000, 0.0000792800000000 ] - [ 0.0000635600000000, 0.0001441800000000, -0.0000644400000000 ] - [ -0.0000298600000000, -0.0000782900000000, -0.0002406300000000 ] - [ -0.0020212200000000, 0.0012540000000000, 0.0005853600000000 ] - [ -0.0000342400000000, 0.0000954100000000, 0.0000153700000000 ] - [ -0.0001153500000000, 0.0000393900000000, -0.0001793200000000 ] - [ -0.0000133200000000, -0.0000611100000000, -0.0000259400000000 ] - [ 0.0000244300000000, 0.0001734000000000, 0.0000455600000000 ] - [ 0.0001817500000000, -0.0002395700000000, 0.0000790700000000 ] - [ 0.0000667600000000, -0.0000839000000000, -0.0000228700000000 ] - [ -0.0000490800000000, 0.0000236700000000, -0.0000951200000000 ] - [ -0.0000777800000000, -0.0000148700000000, -0.0000290300000000 ] - [ -0.0001147700000000, 0.0001057900000000, -0.0000807100000000 ] - [ -0.0000631600000000, -0.0000475100000000, -0.0000162300000000 ] - [ -0.0000520700000000, 0.0000457700000000, -0.0000131300000000 ] - [ 0.0002260800000000, 0.0000013900000000, -0.0000212800000000 ] - [ 0.0002323300000000, 0.0000216300000000, -0.0000081700000000 ] - [ -0.0000120900000000, 0.0000779400000000, -0.0000748000000000 ] - [ -0.0000073400000000, -0.0000718200000000, -0.0000514900000000 ] - [ 0.0000256000000000, 0.0002208200000000, -0.0000631800000000 ] - [ 0.0000315100000000, -0.0002093100000000, -0.0000919500000000 ] - [ 0.0001361900000000, -0.0000845800000000, -0.0000366200000000 ] - [ 0.0001125200000000, 0.0000827700000000, 0.0000037100000000 ] - [ 0.0001717800000000, -0.0000050100000000, 0.0000685100000000 ] - [ -0.0002846600000000, 0.0002762200000000, 0.0010628100000000 ] - [ -0.0002665700000000, 0.0004047800000000, 0.0006645100000000 ] - [ -0.0001379000000000, 0.0000798900000000, 0.0000835500000000 ] - [ -0.0000340900000000, -0.0000443200000000, 0.0000036700000000 ] - [ -0.0000441600000000, 0.0000515600000000, 0.0000063200000000 ] - [ 0.0000527900000000, -0.0000346400000000, 0.0000011000000000 ] - [ -0.0000321900000000, 0.0000749700000000, -0.0000121200000000 ] - [ -0.0002279500000000, 0.0002054300000000, -0.0000427700000000 ] - [ -0.0000726500000000, -0.0001369600000000, 0.0001434300000000 ] - [ 0.0002027000000000, -0.0002877700000000, -0.0001556600000000 ] - [ 0.0001199000000000, 0.0001401200000000, -0.0000763100000000 ] - [ -0.0000039100000000, -0.0000988500000000, -0.0000737300000000 ] - [ 0.0000022500000000, 0.0001013300000000, -0.0000823500000000 ] - [ -0.0001280100000000, 0.0001049100000000, -0.0000966800000000 ] - [ 0.0000111300000000, -0.0002744800000000, -0.0002673300000000 ] - [ -0.0000919200000000, -0.0000937700000000, 0.0000884600000000 ] - [ -0.0000676500000000, 0.0001306600000000, -0.0002346100000000 ] - [ -0.0001609100000000, 0.0002186500000000, -0.0001216600000000 ] - [ -0.0000488600000000, -0.0002291000000000, -0.0000117900000000 ] - [ -0.0000129500000000, -0.0000411200000000, 0.0000099200000000 ] - [ 0.0014031100000000, 0.0057800400000000, 0.0069609600000000 ] - [ -0.0133352800000000, 0.0090358200000000, 0.0027915800000000 ] - [ 0.0001283900000000, -0.0000849000000000, 0.0000485200000000 ] - [ 0.0001916400000000, -0.0001601700000000, -0.0001904000000000 ] - [ 0.0007677600000000, 0.0012661100000000, -0.0004478100000000 ] - [ -0.0003902000000000, 0.0012971400000000, -0.0006945800000000 ] - [ -0.0001234800000000, 0.0001190500000000, 0.0000113200000000 ] - [ -0.0000025100000000, -0.0000589900000000, 0.0000485400000000 ] - [ 0.0005232400000000, -0.0007202900000000, 0.0005991100000000 ] - [ -0.0005701500000000, -0.0007708400000000, -0.0005098600000000 ] - [ 0.0001193600000000, 0.0000257600000000, -0.0000680400000000 ] - [ -0.0000696100000000, 0.0000438200000000, 0.0000048100000000 ] - [ -0.0000787300000000, -0.0000452300000000, 0.0000237600000000 ] - [ -0.0000287000000000, -0.0001076100000000, 0.0000185300000000 ] - [ -0.0000566500000000, 0.0002222200000000, 0.0000525500000000 ] - [ -0.0000130200000000, -0.0000995000000000, 0.0000885200000000 ] - [ 0.0000221100000000, 0.0000300600000000, 0.0000901200000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000595400000000, 0.0000225000000000, -0.0000662700000000 ] - [ 0.0000609800000000, 0.0000168600000000, -0.0000714500000000 ] - [ -0.0001291300000000, 0.0001008300000000, 0.0000479500000000 ] - [ 0.0001078700000000, 0.0004891400000000, -0.0002551500000000 ] - [ 0.0000661600000000, -0.0002121200000000, 0.0000277700000000 ] - [ 0.0000604600000000, 0.0001796600000000, -0.0000117000000000 ] - [ -0.0008002200000000, -0.0005534900000000, -0.0007787700000000 ] - [ -0.0000998900000000, 0.0000647200000000, -0.0000013900000000 ] - [ 0.0000898100000000, -0.0003216200000000, -0.0000672900000000 ] - [ 0.0000502300000000, 0.0003041500000000, -0.0000702300000000 ] - [ 0.0001638700000000, -0.0005036200000000, 0.0000874000000000 ] - [ 0.0000473500000000, 0.0001491700000000, 0.0000753100000000 ] - [ 0.0000814400000000, -0.0001101200000000, 0.0007493400000000 ] - [ -0.0000125900000000, 0.0000188200000000, 0.0001794600000000 ] - [ -0.0000085600000000, -0.0002127600000000, 0.0000900300000000 ] - [ -0.0000218000000000, 0.0002023700000000, 0.0000919500000000 ] - [ -0.0124838400000000, 0.0246941000000000, 0.0113229000000000 ] - [ -0.0000285800000000, 0.0001879300000000, 0.0000677500000000 ] - [ 0.0000612400000000, -0.0000405200000000, 0.0002333400000000 ] - [ 0.0014086400000000, -0.0002777800000000, 0.0014344400000000 ] - [ 0.0030806700000000, -0.0033903200000000, 0.0017392800000000 ] - [ -0.0000716800000000, -0.0000759800000000, 0.0000448300000000 ] - [ -0.0038432500000000, -0.0027357900000000, -0.0017643700000000 ] - [ -0.0002144900000000, 0.0001713100000000, 0.0000155800000000 ] - [ -0.0000434100000000, -0.0001187800000000, -0.0000865100000000 ] - [ -0.0011368800000000, -0.0005951500000000, -0.0010058900000000 ] - [ -0.0016624900000000, 0.0002132400000000, -0.0004163100000000 ] - [ -0.0000866000000000, 0.0000684800000000, -0.0000151300000000 ] - [ 0.0000650100000000, -0.0000554100000000, -0.0002473100000000 ] - [ 0.0001594400000000, -0.0000118600000000, -0.0000724400000000 ] - [ 0.0019857800000000, -0.0014349900000000, -0.0005713900000000 ] - [ -0.0000284100000000, 0.0000737400000000, 0.0000217300000000 ] - [ 0.0001061100000000, 0.0001757500000000, 0.0000549800000000 ] - [ 0.0000039100000000, -0.0001559200000000, -0.0000970700000000 ] - [ 0.0000704500000000, 0.0000932800000000, 0.0000828300000000 ] - [ -0.0000878100000000, -0.0000276300000000, 0.0000485300000000 ] - [ -0.0001371300000000, 0.0000756200000000, -0.0002005900000000 ] - [ -0.0000207300000000, -0.0000163800000000, -0.0001288200000000 ] - [ -0.0000592300000000, -0.0000472500000000, -0.0000368000000000 ] - [ -0.0000193800000000, -0.0000447600000000, 0.0000148300000000 ] - [ -0.0000114000000000, -0.0000284700000000, -0.0000175000000000 ] - [ -0.0000242400000000, 0.0000302000000000, -0.0000204100000000 ] - [ 0.0002794100000000, -0.0000729000000000, 0.0000269700000000 ] - [ 0.0002739100000000, 0.0000487100000000, 0.0000141100000000 ] - [ 0.0000178300000000, 0.0000185600000000, -0.0000809700000000 ] - [ 0.0000138100000000, -0.0000250300000000, -0.0001042600000000 ] - [ 0.0000631500000000, 0.0001949000000000, -0.0000654100000000 ] - [ 0.0000577300000000, -0.0002081900000000, -0.0000362200000000 ] - [ 0.0001490300000000, -0.0001203800000000, -0.0000388400000000 ] - [ 0.0001727200000000, 0.0001209600000000, -0.0000791200000000 ] - [ 0.0001438800000000, -0.0000186200000000, 0.0000926300000000 ] - [ 0.0006013900000000, -0.0002519500000000, -0.0009094700000000 ] - [ -0.0000130300000000, -0.0004705600000000, -0.0004368200000000 ] - [ -0.0001379100000000, -0.0000117000000000, 0.0001399700000000 ] - [ -0.0000771200000000, -0.0000600500000000, 0.0000075700000000 ] - [ -0.0000682400000000, 0.0000526500000000, 0.0000039500000000 ] - [ 0.0000855100000000, -0.0000312900000000, -0.0000188400000000 ] - [ 0.0001705000000000, -0.0000100200000000, -0.0000050900000000 ] - [ 0.0001248900000000, 0.0001003700000000, 0.0002783800000000 ] - [ -0.0000314300000000, -0.0001691100000000, 0.0000901400000000 ] - [ -0.0000347600000000, -0.0000219700000000, -0.0000570900000000 ] - [ 0.0000491200000000, 0.0001705300000000, -0.0001365900000000 ] - [ -0.0000361300000000, -0.0001016800000000, -0.0000716300000000 ] - [ -0.0000415900000000, 0.0001003100000000, -0.0000623200000000 ] - [ -0.0002114800000000, 0.0001107500000000, -0.0002853800000000 ] - [ -0.0003505200000000, 0.0000588400000000, -0.0001119100000000 ] - [ -0.0000983400000000, 0.0002524700000000, -0.0001208800000000 ] - [ -0.0001205100000000, -0.0002912200000000, 0.0002041900000000 ] - [ 0.0002329400000000, -0.0000786800000000, -0.0000045200000000 ] - [ 0.0001176700000000, 0.0000853300000000, -0.0001119400000000 ] - [ 0.0000444900000000, 0.0000753200000000, -0.0000777500000000 ] - [ -0.0013073500000000, -0.0057578200000000, -0.0070436600000000 ] - [ 0.0133631100000000, -0.0091178700000000, -0.0026596100000000 ] - [ 0.0000696800000000, 0.0001127400000000, -0.0000179400000000 ] - [ 0.0001294600000000, 0.0002203900000000, -0.0000024200000000 ] - [ -0.0004513900000000, -0.0013128900000000, 0.0002603500000000 ] - [ 0.0002062700000000, -0.0015607100000000, 0.0007909300000000 ] - [ -0.0000715300000000, 0.0001351400000000, 0.0000901700000000 ] - [ 0.0000138400000000, 0.0002194800000000, 0.0000158000000000 ] - [ -0.0005251700000000, 0.0005585300000000, -0.0005383200000000 ] - [ 0.0007137900000000, 0.0006703200000000, 0.0003996000000000 ] - [ 0.0000402300000000, 0.0000720800000000, -0.0000346300000000 ] - [ -0.0001360200000000, 0.0000210900000000, 0.0000470600000000 ] - [ -0.0001265500000000, -0.0000210500000000, 0.0000300300000000 ] - [ -0.0000334800000000, -0.0000874300000000, 0.0000601800000000 ] - [ -0.0000074900000000, -0.0000288200000000, 0.0000252800000000 ] - [ 0.0000420100000000, 0.0000642100000000, 0.0000543100000000 ] - [ 0.0000064500000000, 0.0000051200000000, 0.0000525100000000 ]- atom: 17 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000745500000000, -0.0000243600000000, -0.0000531000000000 ] - [ 0.0000543000000000, 0.0000023400000000, -0.0001140400000000 ] - [ -0.0001276800000000, 0.0000918600000000, 0.0000045100000000 ] - [ 0.0004394700000000, 0.0001844600000000, 0.0002114200000000 ] - [ 0.0000694900000000, -0.0001632900000000, -0.0000553300000000 ] - [ 0.0000378900000000, 0.0001791100000000, 0.0000930000000000 ] - [ 0.0009556600000000, 0.0002042300000000, 0.0011889200000000 ] - [ -0.0001045800000000, 0.0000883300000000, -0.0000049900000000 ] - [ 0.0001054400000000, -0.0001717900000000, -0.0000716900000000 ] - [ 0.0000820200000000, 0.0003671600000000, 0.0000381600000000 ] - [ 0.0000990600000000, -0.0001777000000000, 0.0000381500000000 ] - [ 0.0000145100000000, 0.0000606300000000, 0.0003595800000000 ] - [ 0.0010903200000000, -0.0004282400000000, 0.0025735200000000 ] - [ -0.0001386100000000, 0.0001293400000000, 0.0000982000000000 ] - [ 0.0000381000000000, -0.0001808000000000, 0.0000604500000000 ] - [ -0.0001260000000000, 0.0001851100000000, 0.0003676500000000 ] - [ -0.0207368300000000, -0.0112104100000000, -0.0578592500000000 ] - [ -0.0000177400000000, 0.0002031000000000, 0.0000941700000000 ] - [ 0.0000297200000000, 0.0000359200000000, 0.0002762400000000 ] - [ 0.0014542200000000, -0.0028633400000000, 0.0038450200000000 ] - [ -0.0005693400000000, 0.0010291100000000, -0.0001498700000000 ] - [ -0.0001020400000000, 0.0000807800000000, 0.0001670400000000 ] - [ 0.0010027600000000, 0.0019952700000000, -0.0001765700000000 ] - [ -0.0002024200000000, 0.0002689100000000, 0.0000649600000000 ] - [ -0.0000409600000000, -0.0000948200000000, -0.0001033000000000 ] - [ 0.0017254700000000, 0.0019564700000000, 0.0059642100000000 ] - [ -0.0035476200000000, -0.0011278600000000, 0.0004168500000000 ] - [ -0.0000776800000000, 0.0001883600000000, 0.0001652100000000 ] - [ 0.0000351300000000, 0.0000479900000000, -0.0001766300000000 ] - [ 0.0002105000000000, -0.0001428200000000, -0.0002180800000000 ] - [ -0.0007820900000000, -0.0006104400000000, -0.0011441000000000 ] - [ -0.0000314200000000, 0.0000677900000000, 0.0000691000000000 ] - [ 0.0000607800000000, 0.0000202700000000, -0.0000862400000000 ] - [ -0.0000340900000000, -0.0000790300000000, -0.0000525200000000 ] - [ 0.0000746500000000, 0.0000820400000000, 0.0001205200000000 ] - [ 0.0000978700000000, -0.0001285900000000, -0.0000412600000000 ] - [ 0.0000251300000000, 0.0000647400000000, -0.0002983300000000 ] - [ -0.0000353600000000, 0.0000274100000000, -0.0000818600000000 ] - [ -0.0000675400000000, -0.0000314700000000, -0.0000295900000000 ] - [ 0.0001993600000000, -0.0000204600000000, 0.0001693200000000 ] - [ 0.0000742500000000, -0.0000438900000000, 0.0000203700000000 ] - [ -0.0000155100000000, 0.0000482400000000, -0.0000213200000000 ] - [ 0.0002841000000000, -0.0000285900000000, -0.0000014600000000 ] - [ 0.0003250300000000, 0.0000610800000000, 0.0000680900000000 ] - [ 0.0000260900000000, 0.0000370600000000, -0.0000932500000000 ] - [ 0.0000977700000000, 0.0000215000000000, -0.0000479900000000 ] - [ 0.0000485800000000, 0.0002376500000000, -0.0000799500000000 ] - [ 0.0001475000000000, -0.0002932300000000, 0.0000090600000000 ] - [ 0.0001550200000000, -0.0001269500000000, -0.0000797700000000 ] - [ 0.0001465400000000, 0.0000443900000000, 0.0000953500000000 ] - [ 0.0001418600000000, -0.0000678900000000, 0.0000620100000000 ] - [ -0.0009979800000000, 0.0006786200000000, 0.0016282400000000 ] - [ -0.0007648000000000, 0.0007556100000000, 0.0008650600000000 ] - [ -0.0001674200000000, -0.0000400300000000, 0.0001630300000000 ] - [ 0.0000856200000000, 0.0000021600000000, 0.0001852700000000 ] - [ -0.0000416600000000, 0.0000995300000000, -0.0000393500000000 ] - [ 0.0000786400000000, -0.0000080100000000, 0.0000118000000000 ] - [ 0.0000471300000000, 0.0000211400000000, -0.0000961300000000 ] - [ -0.0000222200000000, 0.0002052000000000, 0.0002775800000000 ] - [ -0.0000637400000000, -0.0001344100000000, 0.0001153500000000 ] - [ 0.0000267900000000, -0.0001221600000000, -0.0000685200000000 ] - [ 0.0000025500000000, 0.0002168500000000, -0.0001739400000000 ] - [ -0.0000518500000000, -0.0000518200000000, -0.0000096400000000 ] - [ -0.0000838500000000, 0.0000635700000000, -0.0001143700000000 ] - [ -0.0008181400000000, 0.0004721800000000, -0.0005415700000000 ] - [ -0.0000685500000000, -0.0003231200000000, 0.0000551700000000 ] - [ -0.0001296400000000, 0.0001701500000000, 0.0000376400000000 ] - [ 0.0002016100000000, 0.0000954700000000, -0.0004030300000000 ] - [ -0.0001303900000000, -0.0002310200000000, -0.0008800400000000 ] - [ 0.0001583400000000, -0.0001622500000000, 0.0000519600000000 ] - [ 0.0000679000000000, 0.0000033000000000, -0.0001142400000000 ] - [ 0.0193273300000000, 0.0069193500000000, 0.0335468000000000 ] - [ 0.0012348400000000, 0.0026077000000000, 0.0103842300000000 ] - [ 0.0001165300000000, -0.0000559300000000, -0.0001340300000000 ] - [ 0.0003240400000000, -0.0004017800000000, -0.0001461700000000 ] - [ 0.0005782800000000, -0.0008107700000000, 0.0007269800000000 ] - [ 0.0008029700000000, -0.0003965700000000, 0.0008613700000000 ] - [ -0.0001759600000000, 0.0000509300000000, -0.0001497700000000 ] - [ 0.0000494100000000, 0.0001507300000000, 0.0001379300000000 ] - [ 0.0005162700000000, -0.0000618700000000, -0.0002390900000000 ] - [ -0.0016874900000000, 0.0001550200000000, -0.0014798500000000 ] - [ 0.0000556400000000, 0.0000615500000000, -0.0000828500000000 ] - [ -0.0002886600000000, 0.0001390400000000, -0.0000685700000000 ] - [ -0.0001577300000000, -0.0000277100000000, 0.0000427800000000 ] - [ -0.0000292300000000, -0.0000842900000000, -0.0000047100000000 ] - [ -0.0005783200000000, 0.0001806100000000, -0.0000613100000000 ] - [ -0.0001025200000000, -0.0000639200000000, 0.0000815000000000 ] - [ 0.0000205900000000, -0.0000677400000000, 0.0000338900000000 ]- atom: 17 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000679300000000, 0.0000054600000000, -0.0000842800000000 ] - [ 0.0000870900000000, 0.0000170500000000, -0.0000230200000000 ] - [ -0.0001313100000000, 0.0000809600000000, 0.0000638300000000 ] - [ -0.0007078800000000, -0.0003568900000000, -0.0001281600000000 ] - [ 0.0000519600000000, -0.0001707600000000, 0.0000269700000000 ] - [ 0.0000837600000000, 0.0001550900000000, -0.0001204300000000 ] - [ -0.0011157000000000, -0.0003606300000000, -0.0011622600000000 ] - [ -0.0000738800000000, 0.0000801300000000, 0.0000184400000000 ] - [ 0.0000339500000000, -0.0004064300000000, -0.0000494900000000 ] - [ 0.0000585900000000, 0.0002083700000000, -0.0001595100000000 ] - [ -0.0000485600000000, -0.0000928200000000, 0.0002099300000000 ] - [ 0.0000378700000000, 0.0002111300000000, -0.0001101300000000 ] - [ -0.0011788600000000, 0.0002370900000000, -0.0021955900000000 ] - [ 0.0000299400000000, 0.0000421700000000, 0.0002059500000000 ] - [ 0.0000350200000000, -0.0001776900000000, 0.0001081800000000 ] - [ 0.0002010400000000, 0.0001728600000000, -0.0001991000000000 ] - [ 0.0216852200000000, 0.0113611000000000, 0.0597367200000000 ] - [ -0.0000103200000000, 0.0002021400000000, 0.0000399500000000 ] - [ 0.0001018900000000, -0.0000393400000000, 0.0002113700000000 ] - [ -0.0013393100000000, 0.0029269400000000, -0.0034535800000000 ] - [ 0.0004162400000000, -0.0010317800000000, 0.0002979300000000 ] - [ -0.0000703100000000, -0.0001031100000000, -0.0000216800000000 ] - [ -0.0013959300000000, -0.0024200700000000, 0.0002223800000000 ] - [ -0.0001964800000000, 0.0001351400000000, -0.0000289300000000 ] - [ 0.0000103500000000, -0.0000654800000000, -0.0001665900000000 ] - [ -0.0017849400000000, -0.0017980800000000, -0.0062893800000000 ] - [ 0.0033628000000000, 0.0008934800000000, -0.0003543400000000 ] - [ -0.0000877400000000, 0.0000375500000000, -0.0001030600000000 ] - [ 0.0000958000000000, 0.0000441200000000, -0.0001373100000000 ] - [ -0.0000794200000000, 0.0000500900000000, -0.0000916000000000 ] - [ 0.0007642400000000, 0.0004192200000000, 0.0011713500000000 ] - [ -0.0000289200000000, 0.0001048200000000, -0.0000318500000000 ] - [ -0.0000657500000000, 0.0001956700000000, -0.0000339600000000 ] - [ 0.0000284200000000, -0.0001359400000000, -0.0000682900000000 ] - [ 0.0000230700000000, 0.0001843400000000, 0.0000089500000000 ] - [ -0.0000002500000000, -0.0001390100000000, 0.0001712100000000 ] - [ -0.0000965600000000, -0.0000716000000000, 0.0000717100000000 ] - [ -0.0000344700000000, -0.0000204300000000, -0.0001446900000000 ] - [ -0.0000691900000000, -0.0000279200000000, -0.0000325500000000 ] - [ -0.0003345100000000, 0.0000801400000000, -0.0002322800000000 ] - [ -0.0001493700000000, -0.0000308600000000, -0.0000516400000000 ] - [ -0.0000601400000000, 0.0000263500000000, -0.0000092000000000 ] - [ 0.0002226400000000, -0.0000423800000000, 0.0000055400000000 ] - [ 0.0001823200000000, 0.0000092100000000, -0.0000636900000000 ] - [ -0.0000234300000000, 0.0000595700000000, -0.0000608200000000 ] - [ -0.0000938900000000, -0.0001176700000000, -0.0001064700000000 ] - [ 0.0000349800000000, 0.0001757200000000, -0.0000462500000000 ] - [ -0.0000630400000000, -0.0001209400000000, -0.0001355500000000 ] - [ 0.0001279900000000, -0.0000800400000000, 0.0000042600000000 ] - [ 0.0001368200000000, 0.0001622400000000, -0.0001707700000000 ] - [ 0.0001759000000000, 0.0000429100000000, 0.0000993800000000 ] - [ 0.0013335700000000, -0.0006675900000000, -0.0014927400000000 ] - [ 0.0004786900000000, -0.0008128300000000, -0.0006260200000000 ] - [ -0.0001094600000000, 0.0001116400000000, 0.0000627700000000 ] - [ -0.0001971500000000, -0.0001055000000000, -0.0001775900000000 ] - [ -0.0000693500000000, 0.0000032600000000, 0.0000470000000000 ] - [ 0.0000579100000000, -0.0000556000000000, -0.0000311200000000 ] - [ 0.0000914600000000, 0.0000427700000000, 0.0000773900000000 ] - [ -0.0000825800000000, 0.0001002400000000, -0.0000478100000000 ] - [ -0.0000421800000000, -0.0001727900000000, 0.0001173800000000 ] - [ 0.0001428500000000, -0.0001867600000000, -0.0001428100000000 ] - [ 0.0001682900000000, 0.0000923400000000, -0.0000393700000000 ] - [ 0.0000121800000000, -0.0001471900000000, -0.0001361900000000 ] - [ 0.0000439100000000, 0.0001382100000000, -0.0000321700000000 ] - [ 0.0004771500000000, -0.0002509500000000, 0.0001635900000000 ] - [ -0.0002639200000000, 0.0001029900000000, -0.0004370100000000 ] - [ -0.0000577300000000, -0.0000149500000000, -0.0000688300000000 ] - [ -0.0003892700000000, -0.0002511000000000, 0.0003666700000000 ] - [ 0.0001984600000000, 0.0003719800000000, 0.0007606600000000 ] - [ -0.0000901700000000, 0.0000206200000000, -0.0001783500000000 ] - [ -0.0000402800000000, 0.0000318400000000, 0.0000466800000000 ] - [ -0.0202924200000000, -0.0075034500000000, -0.0352495100000000 ] - [ -0.0010285900000000, -0.0026295600000000, -0.0103625000000000 ] - [ 0.0000793600000000, 0.0000862800000000, 0.0001615100000000 ] - [ -0.0000034800000000, 0.0004544600000000, -0.0000438900000000 ] - [ -0.0002608300000000, 0.0007574100000000, -0.0009327400000000 ] - [ -0.0009893900000000, 0.0001583400000000, -0.0007490300000000 ] - [ -0.0000176700000000, 0.0002043400000000, 0.0002506600000000 ] - [ -0.0000378100000000, 0.0000099800000000, -0.0000697700000000 ] - [ -0.0005296300000000, -0.0001025800000000, 0.0002862200000000 ] - [ 0.0018398200000000, -0.0002620500000000, 0.0013679600000000 ] - [ 0.0001045900000000, 0.0000376200000000, -0.0000229500000000 ] - [ 0.0000855600000000, -0.0000767200000000, 0.0001197800000000 ] - [ -0.0000468900000000, -0.0000353800000000, 0.0000091700000000 ] - [ -0.0000342700000000, -0.0001089300000000, 0.0000826100000000 ] - [ 0.0005143700000000, 0.0000163400000000, 0.0001441300000000 ] - [ 0.0001322400000000, 0.0000305300000000, 0.0000612700000000 ] - [ 0.0000070300000000, 0.0001015300000000, 0.0001073500000000 ]- atom: 19 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000040300000000, -0.0000005000000000, 0.0000096900000000 ] - [ 0.0000188100000000, 0.0000892800000000, -0.0000466200000000 ] - [ 0.0003529400000000, -0.0003941600000000, -0.0006787900000000 ] - [ -0.0001108300000000, -0.0000793000000000, 0.0000452200000000 ] - [ 0.0007234400000000, -0.0001344000000000, -0.0007782100000000 ] - [ 0.0001075800000000, 0.0001319300000000, 0.0000482700000000 ] - [ -0.0000289600000000, -0.0001386600000000, 0.0001149100000000 ] - [ -0.0000592300000000, 0.0000394000000000, -0.0001453600000000 ] - [ 0.0001170500000000, -0.0002948800000000, -0.0001125500000000 ] - [ 0.0013515700000000, -0.0013396000000000, 0.0007439300000000 ] - [ 0.0000658700000000, -0.0000629900000000, 0.0000354000000000 ] - [ -0.0000113800000000, 0.0001025100000000, 0.0002074000000000 ] - [ -0.0002475400000000, -0.0000520200000000, 0.0000981500000000 ] - [ -0.0000740100000000, 0.0001471500000000, 0.0000527500000000 ] - [ 0.0006831600000000, -0.0000327100000000, -0.0010900600000000 ] - [ -0.0000819700000000, 0.0001387900000000, 0.0001664700000000 ] - [ -0.0001149000000000, -0.0001981000000000, 0.0000306600000000 ] - [ -0.0012953200000000, 0.0015385000000000, 0.0014518500000000 ] - [ -0.0825306700000000, 0.0054002400000000, 0.0308366300000000 ] - [ 0.0000103100000000, 0.0000047800000000, 0.0002474100000000 ] - [ -0.0001567800000000, -0.0000724700000000, -0.0000047100000000 ] - [ -0.0009246800000000, 0.0007611000000000, -0.0016796700000000 ] - [ -0.0002324400000000, -0.0001994900000000, 0.0000221600000000 ] - [ -0.0013474000000000, -0.0038471100000000, -0.0004409400000000 ] - [ 0.0005750500000000, -0.0003459900000000, 0.0004279800000000 ] - [ -0.0000265400000000, 0.0000519400000000, -0.0002017400000000 ] - [ -0.0001038700000000, -0.0001665500000000, 0.0000820300000000 ] - [ -0.0002366000000000, 0.0001117600000000, -0.0001421800000000 ] - [ 0.0033482000000000, -0.0004747300000000, 0.0016363800000000 ] - [ 0.0000402400000000, 0.0000181900000000, -0.0002792500000000 ] - [ -0.0000916200000000, 0.0000096500000000, 0.0001088000000000 ] - [ -0.0000599500000000, 0.0001543300000000, -0.0001334600000000 ] - [ -0.0000069700000000, 0.0001387700000000, -0.0000831200000000 ] - [ 0.0059109300000000, 0.0041055800000000, -0.0003648400000000 ] - [ 0.0002282200000000, -0.0000208900000000, 0.0002044800000000 ] - [ 0.0000426500000000, -0.0001635000000000, 0.0000446600000000 ] - [ 0.0000094000000000, -0.0000161600000000, -0.0001216000000000 ] - [ 0.0006096500000000, -0.0003240000000000, -0.0004738200000000 ] - [ 0.0000336100000000, -0.0001373900000000, 0.0000666600000000 ] - [ -0.0000092400000000, 0.0000188400000000, -0.0000315700000000 ] - [ 0.0001330700000000, -0.0000570200000000, -0.0000485700000000 ] - [ 0.0001299900000000, 0.0000589000000000, -0.0001009300000000 ] - [ 0.0005013100000000, -0.0000871800000000, 0.0000912400000000 ] - [ 0.0006818900000000, 0.0001578800000000, 0.0001641300000000 ] - [ 0.0001094200000000, -0.0000293100000000, -0.0001833200000000 ] - [ 0.0002805400000000, 0.0001326700000000, -0.0001640800000000 ] - [ 0.0000970100000000, 0.0002375200000000, -0.0000738500000000 ] - [ 0.0001844600000000, -0.0002022400000000, -0.0000356300000000 ] - [ 0.0003025900000000, -0.0000168500000000, 0.0000228300000000 ] - [ 0.0002223900000000, 0.0000760000000000, -0.0000027800000000 ] - [ 0.0017449000000000, 0.0041150400000000, 0.0005919100000000 ] - [ 0.0000963500000000, 0.0000445500000000, 0.0001064200000000 ] - [ -0.0004986300000000, 0.0009710100000000, 0.0002315600000000 ] - [ -0.0002961900000000, 0.0000803000000000, -0.0000722400000000 ] - [ 0.0000899300000000, -0.0002865600000000, -0.0000339800000000 ] - [ 0.0000834900000000, -0.0000167800000000, 0.0001917300000000 ] - [ 0.0003905100000000, 0.0001376000000000, -0.0001438000000000 ] - [ 0.0001636400000000, 0.0000081500000000, -0.0000217500000000 ] - [ 0.0000137300000000, 0.0002140000000000, 0.0001328800000000 ] - [ -0.0000268600000000, -0.0001401800000000, 0.0000527300000000 ] - [ -0.0003760500000000, -0.0002992300000000, -0.0004950100000000 ] - [ -0.0000754000000000, 0.0000656100000000, 0.0000145800000000 ] - [ -0.0002540100000000, -0.0000277500000000, -0.0001287600000000 ] - [ -0.0001949600000000, 0.0001593500000000, 0.0000754700000000 ] - [ -0.0002706600000000, -0.0008715300000000, -0.0007246200000000 ] - [ -0.0000987900000000, -0.0001738800000000, -0.0001547800000000 ] - [ -0.0010402000000000, -0.0005457600000000, 0.0005432300000000 ] - [ 0.0000494800000000, -0.0000121100000000, -0.0000668100000000 ] - [ 0.0004581500000000, 0.0009184200000000, 0.0000860100000000 ] - [ -0.0000335400000000, 0.0001853900000000, 0.0006197400000000 ] - [ 0.0207559600000000, -0.0159241700000000, -0.0119118500000000 ] - [ 0.0001924800000000, -0.0000202100000000, 0.0000278900000000 ] - [ 0.0002963300000000, 0.0001443200000000, 0.0000265500000000 ] - [ 0.0022078100000000, -0.0009526800000000, -0.0004554200000000 ] - [ 0.0512114900000000, 0.0075105700000000, -0.0190495900000000 ] - [ 0.0002651500000000, -0.0000741700000000, 0.0000861300000000 ] - [ -0.0000611100000000, -0.0000453700000000, -0.0000019400000000 ] - [ -0.0018087000000000, 0.0014372900000000, 0.0007967700000000 ] - [ 0.0018645900000000, -0.0010791400000000, -0.0002888000000000 ] - [ -0.0000377800000000, -0.0000837000000000, 0.0001931000000000 ] - [ -0.0001056600000000, -0.0000929100000000, -0.0001066200000000 ] - [ -0.0012009400000000, -0.0002569600000000, -0.0000130700000000 ] - [ -0.0004860300000000, -0.0000612600000000, -0.0000843300000000 ] - [ -0.0004217500000000, -0.0000366800000000, -0.0000931000000000 ] - [ -0.0001223300000000, 0.0000090300000000, 0.0001750400000000 ] - [ -0.0003359500000000, 0.0000007400000000, -0.0000180000000000 ] - [ -0.0002652400000000, 0.0000835000000000, 0.0004389900000000 ] - [ -0.0009976500000000, 0.0001786300000000, -0.0000687000000000 ]- atom: 19 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0001378300000000, -0.0000181500000000, -0.0001456800000000 ] - [ 0.0001225000000000, -0.0000695000000000, -0.0000908400000000 ] - [ -0.0006209300000000, 0.0005887800000000, 0.0007686600000000 ] - [ -0.0001485600000000, -0.0000932900000000, 0.0000228300000000 ] - [ -0.0005810800000000, -0.0001995900000000, 0.0007292500000000 ] - [ 0.0000137300000000, 0.0002016300000000, -0.0000754100000000 ] - [ -0.0001501700000000, -0.0000302000000000, -0.0001006500000000 ] - [ -0.0001199300000000, 0.0001292700000000, 0.0001588300000000 ] - [ 0.0000225000000000, -0.0002796300000000, -0.0000093200000000 ] - [ -0.0011946600000000, 0.0018870500000000, -0.0008485300000000 ] - [ -0.0000145600000000, -0.0002088600000000, 0.0002117000000000 ] - [ 0.0000622100000000, 0.0001697200000000, 0.0000413200000000 ] - [ 0.0001355700000000, -0.0001187000000000, 0.0002051900000000 ] - [ -0.0000374900000000, 0.0000245100000000, 0.0002497000000000 ] - [ -0.0006141800000000, -0.0003269700000000, 0.0012588800000000 ] - [ 0.0001537100000000, 0.0002192600000000, 0.0000030400000000 ] - [ 0.0000845200000000, -0.0002071200000000, 0.0001031100000000 ] - [ 0.0012638500000000, -0.0011467700000000, -0.0013434500000000 ] - [ 0.0850224900000000, -0.0048703300000000, -0.0314428500000000 ] - [ 0.0001193400000000, -0.0000012400000000, 0.0002408500000000 ] - [ -0.0000145800000000, 0.0000972400000000, 0.0001500800000000 ] - [ 0.0007749400000000, -0.0007939800000000, 0.0018261300000000 ] - [ -0.0001671700000000, -0.0002048600000000, 0.0000145900000000 ] - [ 0.0009709600000000, 0.0042525700000000, 0.0004606600000000 ] - [ -0.0005927400000000, 0.0001656200000000, -0.0006889800000000 ] - [ -0.0000042600000000, 0.0001087300000000, -0.0000666400000000 ] - [ -0.0000618900000000, -0.0000600900000000, -0.0000189200000000 ] - [ 0.0000725800000000, 0.0001132500000000, 0.0002022100000000 ] - [ -0.0032865200000000, 0.0005638500000000, -0.0019885300000000 ] - [ 0.0000918600000000, -0.0001116400000000, -0.0000320500000000 ] - [ 0.0000326200000000, -0.0001833600000000, -0.0000723200000000 ] - [ 0.0000031200000000, 0.0000201100000000, 0.0001673300000000 ] - [ 0.0000024000000000, 0.0000755500000000, -0.0000374700000000 ] - [ -0.0060018600000000, -0.0043567400000000, 0.0002474300000000 ] - [ -0.0001274200000000, 0.0002837100000000, -0.0000741100000000 ] - [ 0.0000552300000000, -0.0001032700000000, 0.0000858700000000 ] - [ -0.0000777100000000, 0.0000090900000000, -0.0001053900000000 ] - [ -0.0006801400000000, 0.0003316500000000, 0.0002469100000000 ] - [ -0.0001619800000000, 0.0000806300000000, -0.0001280200000000 ] - [ -0.0001257300000000, 0.0000401900000000, -0.0000303500000000 ] - [ -0.0002079000000000, -0.0000178800000000, 0.0000179500000000 ] - [ -0.0002051800000000, 0.0000162900000000, 0.0000701500000000 ] - [ 0.0000067700000000, 0.0000172000000000, -0.0000875100000000 ] - [ -0.0001734100000000, -0.0000878200000000, -0.0001587000000000 ] - [ -0.0001060900000000, 0.0001261800000000, 0.0000284200000000 ] - [ -0.0002784300000000, -0.0002306100000000, 0.0000099400000000 ] - [ -0.0000128600000000, 0.0001755200000000, -0.0000520700000000 ] - [ -0.0000996000000000, -0.0002108600000000, -0.0000901200000000 ] - [ -0.0000188000000000, -0.0001897200000000, -0.0000990300000000 ] - [ 0.0000610000000000, 0.0001305000000000, -0.0000724400000000 ] - [ -0.0014146400000000, -0.0040943900000000, -0.0004272900000000 ] - [ 0.0002199200000000, -0.0000196200000000, 0.0000565800000000 ] - [ 0.0002286600000000, -0.0010389600000000, -0.0000096800000000 ] - [ 0.0000170600000000, -0.0000079600000000, 0.0002949300000000 ] - [ -0.0001982600000000, 0.0001826600000000, 0.0000425200000000 ] - [ -0.0001923800000000, 0.0001194100000000, -0.0001800000000000 ] - [ -0.0002527300000000, -0.0002005000000000, 0.0001243100000000 ] - [ -0.0000259300000000, 0.0000553800000000, 0.0000015900000000 ] - [ -0.0001190400000000, 0.0000929900000000, 0.0000991900000000 ] - [ -0.0000789400000000, -0.0001664000000000, 0.0001794300000000 ] - [ 0.0005444700000000, -0.0000130400000000, 0.0002844100000000 ] - [ 0.0002440100000000, 0.0002442200000000, -0.0002280800000000 ] - [ 0.0002101600000000, -0.0001702300000000, -0.0000170700000000 ] - [ 0.0001524800000000, 0.0000419300000000, -0.0002211200000000 ] - [ -0.0000663900000000, 0.0010808800000000, 0.0003393300000000 ] - [ -0.0002343200000000, -0.0000424900000000, -0.0002252100000000 ] - [ 0.0008489800000000, 0.0006951000000000, -0.0005620500000000 ] - [ -0.0002362000000000, -0.0001433800000000, 0.0000347000000000 ] - [ -0.0003788000000000, -0.0007700600000000, -0.0002055300000000 ] - [ 0.0001041500000000, -0.0003314200000000, -0.0007434700000000 ] - [ -0.0207752200000000, 0.0161793600000000, 0.0120144000000000 ] - [ -0.0001621100000000, -0.0000148300000000, -0.0000976600000000 ] - [ -0.0001007900000000, -0.0001763400000000, 0.0000006500000000 ] - [ -0.0020195800000000, 0.0009955200000000, 0.0004948900000000 ] - [ -0.0530684700000000, -0.0081898100000000, 0.0198112900000000 ] - [ 0.0000546800000000, 0.0000127200000000, -0.0002794000000000 ] - [ -0.0001325700000000, -0.0002083300000000, 0.0001050700000000 ] - [ 0.0016204700000000, -0.0011977200000000, -0.0006909600000000 ] - [ -0.0019039400000000, 0.0012688000000000, 0.0003449500000000 ] - [ 0.0000508100000000, -0.0000760400000000, -0.0001281600000000 ] - [ 0.0002592800000000, -0.0000060900000000, 0.0000029200000000 ] - [ 0.0013467600000000, 0.0003586900000000, -0.0000758900000000 ] - [ 0.0002796700000000, 0.0001257100000000, 0.0001343800000000 ] - [ 0.0002137100000000, -0.0000270800000000, 0.0001438900000000 ] - [ 0.0000600200000000, -0.0002022500000000, -0.0000988300000000 ] - [ 0.0002721800000000, 0.0001949900000000, 0.0000979900000000 ] - [ 0.0002901600000000, -0.0001189500000000, -0.0002880200000000 ] - [ 0.0010188300000000, -0.0001393800000000, 0.0002093400000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000814800000000, -0.0000088300000000, -0.0001068200000000 ] - [ 0.0000775400000000, 0.0000033400000000, -0.0000491100000000 ] - [ -0.0005950500000000, -0.0002038200000000, 0.0003361200000000 ] - [ -0.0001526300000000, -0.0001363700000000, 0.0000177200000000 ] - [ 0.0000235400000000, -0.0002743900000000, 0.0000950000000000 ] - [ 0.0000472200000000, 0.0002209900000000, -0.0000323700000000 ] - [ -0.0001852400000000, -0.0000315100000000, -0.0000671200000000 ] - [ -0.0000790300000000, 0.0000872800000000, 0.0000617200000000 ] - [ 0.0000401000000000, -0.0003384300000000, -0.0000411900000000 ] - [ -0.0009977400000000, 0.0013935000000000, -0.0008105000000000 ] - [ 0.0000358600000000, -0.0001806800000000, 0.0000981900000000 ] - [ 0.0000800100000000, 0.0002603700000000, 0.0001195000000000 ] - [ -0.0001022600000000, 0.0001080800000000, 0.0001783400000000 ] - [ -0.0000006300000000, 0.0000414900000000, 0.0002183200000000 ] - [ -0.0001164600000000, -0.0001655800000000, -0.0002535900000000 ] - [ -0.0000168700000000, 0.0002425600000000, 0.0000371800000000 ] - [ -0.0000175000000000, -0.0001643900000000, 0.0001045800000000 ] - [ 0.0001988100000000, 0.0004776100000000, 0.0029737400000000 ] - [ 0.0056471800000000, -0.0637872800000000, -0.0140000700000000 ] - [ 0.0000626100000000, 0.0000265900000000, 0.0002511400000000 ] - [ -0.0000381000000000, 0.0000620900000000, 0.0001673300000000 ] - [ 0.0016992100000000, 0.0005792700000000, -0.0026410700000000 ] - [ -0.0002242500000000, -0.0001125500000000, 0.0000081100000000 ] - [ -0.0015217000000000, 0.0060026900000000, 0.0020522200000000 ] - [ -0.0031275300000000, 0.0029451800000000, -0.0019101800000000 ] - [ -0.0000466200000000, 0.0001437600000000, -0.0000475400000000 ] - [ -0.0000313900000000, 0.0000689000000000, 0.0000402800000000 ] - [ -0.0000983200000000, -0.0000280700000000, 0.0000550900000000 ] - [ 0.0018720900000000, 0.0000796200000000, 0.0005541600000000 ] - [ 0.0000922200000000, -0.0000002500000000, -0.0001740300000000 ] - [ 0.0000113500000000, -0.0000415700000000, 0.0001100100000000 ] - [ -0.0000410800000000, -0.0000754400000000, 0.0001018200000000 ] - [ 0.0000156300000000, 0.0001017500000000, -0.0000458700000000 ] - [ 0.0014035400000000, -0.0008405500000000, -0.0010053500000000 ] - [ -0.0000957500000000, 0.0000739300000000, 0.0000325800000000 ] - [ 0.0000805200000000, -0.0000721400000000, 0.0000921800000000 ] - [ -0.0000173600000000, 0.0000391500000000, -0.0001313000000000 ] - [ -0.0002666000000000, 0.0001367800000000, -0.0000048600000000 ] - [ -0.0001770000000000, -0.0001084400000000, -0.0000792200000000 ] - [ -0.0000557300000000, 0.0000465900000000, -0.0000162600000000 ] - [ -0.0000588100000000, -0.0000042600000000, -0.0000147700000000 ] - [ -0.0000535300000000, 0.0000223300000000, 0.0000028100000000 ] - [ 0.0002646900000000, -0.0000764000000000, 0.0000243000000000 ] - [ 0.0001631500000000, 0.0000769900000000, -0.0000468600000000 ] - [ 0.0000018900000000, 0.0000320800000000, -0.0000568400000000 ] - [ -0.0000081200000000, -0.0000299300000000, -0.0000636400000000 ] - [ 0.0000430400000000, 0.0002089300000000, -0.0000584700000000 ] - [ 0.0000600700000000, -0.0000876200000000, -0.0000317400000000 ] - [ 0.0001167500000000, -0.0001620100000000, -0.0000981500000000 ] - [ 0.0001149500000000, 0.0001389800000000, -0.0000524900000000 ] - [ 0.0027152800000000, 0.0040866000000000, -0.0000238000000000 ] - [ 0.0001464900000000, 0.0000330900000000, 0.0000775400000000 ] - [ 0.0014730700000000, 0.0043091700000000, 0.0003670500000000 ] - [ -0.0001062400000000, -0.0000337700000000, 0.0001910300000000 ] - [ -0.0001387100000000, 0.0000954100000000, 0.0000620800000000 ] - [ -0.0000875000000000, 0.0000869100000000, -0.0000551600000000 ] - [ -0.0000027600000000, -0.0000894600000000, 0.0000061100000000 ] - [ 0.0000833600000000, 0.0000288700000000, -0.0000068800000000 ] - [ -0.0000262000000000, 0.0002279800000000, 0.0001133900000000 ] - [ -0.0000782100000000, -0.0001702000000000, 0.0001453500000000 ] - [ -0.0000231000000000, -0.0001555300000000, -0.0000366100000000 ] - [ 0.0000729900000000, 0.0002083900000000, -0.0001213900000000 ] - [ 0.0000182800000000, -0.0001636900000000, -0.0000288300000000 ] - [ 0.0000029000000000, 0.0000592000000000, -0.0001293400000000 ] - [ -0.0003267600000000, -0.0005844200000000, -0.0004274500000000 ] - [ -0.0002402800000000, -0.0001419000000000, -0.0002188800000000 ] - [ 0.0000921700000000, 0.0004858100000000, 0.0001856700000000 ] - [ -0.0001233000000000, -0.0001764300000000, -0.0000558300000000 ] - [ 0.0005693100000000, -0.0005800500000000, 0.0000764500000000 ] - [ 0.0000773700000000, -0.0000292900000000, -0.0002943000000000 ] - [ -0.0148815600000000, 0.0347668000000000, 0.0159212900000000 ] - [ 0.0000335000000000, -0.0001322700000000, -0.0000833700000000 ] - [ -0.0000601700000000, -0.0003472800000000, -0.0006783700000000 ] - [ -0.0007638300000000, 0.0005254900000000, 0.0001092600000000 ] - [ 0.0064557900000000, 0.0119808800000000, -0.0006007000000000 ] - [ 0.0001530700000000, 0.0000327500000000, -0.0001374000000000 ] - [ -0.0000513200000000, -0.0002484900000000, 0.0001508600000000 ] - [ -0.0003199500000000, -0.0000155600000000, 0.0004445500000000 ] - [ -0.0008339400000000, 0.0005426900000000, -0.0003074700000000 ] - [ 0.0000276500000000, -0.0002113400000000, -0.0000345700000000 ] - [ 0.0000329100000000, -0.0000709500000000, -0.0000865700000000 ] - [ 0.0016299000000000, -0.0009472900000000, -0.0007567800000000 ] - [ -0.0000719800000000, -0.0000105500000000, 0.0000624300000000 ] - [ -0.0000626000000000, 0.0000267700000000, 0.0000964700000000 ] - [ -0.0000435900000000, -0.0000767000000000, -0.0000120800000000 ] - [ 0.0000359200000000, 0.0000541000000000, 0.0000638000000000 ] - [ 0.0000802400000000, -0.0000043900000000, -0.0000485700000000 ] - [ 0.0004336500000000, -0.0000517200000000, 0.0001779700000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000615900000000, -0.0000104000000000, -0.0000310500000000 ] - [ 0.0000645100000000, 0.0000157100000000, -0.0000879600000000 ] - [ 0.0003318600000000, 0.0003582500000000, -0.0002667300000000 ] - [ -0.0001059800000000, -0.0000366800000000, 0.0000505800000000 ] - [ 0.0000958100000000, -0.0000598200000000, -0.0001191100000000 ] - [ 0.0000747100000000, 0.0001133300000000, 0.0000051500000000 ] - [ 0.0000070400000000, -0.0001365500000000, 0.0000801400000000 ] - [ -0.0000992700000000, 0.0000815100000000, -0.0000468900000000 ] - [ 0.0001001900000000, -0.0002363900000000, -0.0000795300000000 ] - [ 0.0011542300000000, -0.0008270600000000, 0.0007050200000000 ] - [ 0.0000159500000000, -0.0000929500000000, 0.0001501700000000 ] - [ -0.0000281000000000, 0.0000113700000000, 0.0001286600000000 ] - [ -0.0000043000000000, -0.0002802300000000, 0.0001264000000000 ] - [ -0.0001085200000000, 0.0001290200000000, 0.0000866300000000 ] - [ 0.0001811600000000, -0.0001966200000000, 0.0004313900000000 ] - [ 0.0000910100000000, 0.0001156600000000, 0.0001320000000000 ] - [ -0.0000101000000000, -0.0002415100000000, 0.0000291600000000 ] - [ -0.0002111500000000, -0.0000737900000000, -0.0028159900000000 ] - [ -0.0046565800000000, 0.0621262100000000, 0.0135356700000000 ] - [ 0.0000689000000000, -0.0000230900000000, 0.0002367400000000 ] - [ -0.0001331300000000, -0.0000364800000000, -0.0000228400000000 ] - [ -0.0018804100000000, -0.0006055900000000, 0.0028046300000000 ] - [ -0.0001745600000000, -0.0002924800000000, 0.0000281200000000 ] - [ 0.0010929400000000, -0.0055575300000000, -0.0020001700000000 ] - [ 0.0030445000000000, -0.0030326100000000, 0.0015987500000000 ] - [ 0.0000160900000000, 0.0000166500000000, -0.0002209600000000 ] - [ -0.0001349800000000, -0.0002954000000000, 0.0000189700000000 ] - [ -0.0000673500000000, 0.0002533400000000, 0.0000077100000000 ] - [ -0.0017183400000000, 0.0000186400000000, -0.0008597700000000 ] - [ 0.0000400000000000, -0.0000930300000000, -0.0001382400000000 ] - [ -0.0000720600000000, -0.0001310800000000, -0.0000729700000000 ] - [ -0.0000202400000000, 0.0002479600000000, -0.0000634300000000 ] - [ -0.0000203400000000, 0.0001140700000000, -0.0000748000000000 ] - [ -0.0013669200000000, 0.0006394200000000, 0.0008767200000000 ] - [ 0.0001930200000000, 0.0001911500000000, 0.0000978400000000 ] - [ 0.0000169300000000, -0.0001956900000000, 0.0000374200000000 ] - [ -0.0000526800000000, -0.0000468300000000, -0.0000950800000000 ] - [ 0.0001990900000000, -0.0001304100000000, -0.0002227500000000 ] - [ 0.0000381900000000, 0.0000488200000000, 0.0000174000000000 ] - [ -0.0000813900000000, 0.0000126000000000, -0.0000461300000000 ] - [ -0.0000163800000000, -0.0000701400000000, -0.0000150900000000 ] - [ -0.0000221700000000, 0.0000520300000000, -0.0000326000000000 ] - [ 0.0002425900000000, 0.0000053400000000, -0.0000196200000000 ] - [ 0.0003447600000000, -0.0000062200000000, 0.0000510900000000 ] - [ 0.0000003400000000, 0.0000650100000000, -0.0000966500000000 ] - [ 0.0000119600000000, -0.0000654500000000, -0.0000904600000000 ] - [ 0.0000403400000000, 0.0002035800000000, -0.0000672300000000 ] - [ 0.0000240100000000, -0.0003261700000000, -0.0000939400000000 ] - [ 0.0001650600000000, -0.0000463600000000, 0.0000230300000000 ] - [ 0.0001681000000000, 0.0000678000000000, -0.0000226500000000 ] - [ -0.0023365200000000, -0.0040272900000000, 0.0001840600000000 ] - [ 0.0001715800000000, -0.0000094300000000, 0.0000848900000000 ] - [ -0.0017924900000000, -0.0044907800000000, -0.0001486700000000 ] - [ -0.0001696700000000, 0.0001057400000000, 0.0000353300000000 ] - [ 0.0000274800000000, -0.0001981100000000, -0.0000527800000000 ] - [ -0.0000242800000000, 0.0000147900000000, 0.0000639200000000 ] - [ 0.0001396800000000, 0.0000247600000000, -0.0000259000000000 ] - [ 0.0000528800000000, 0.0000354700000000, -0.0000124500000000 ] - [ -0.0000790600000000, 0.0000789300000000, 0.0001188700000000 ] - [ -0.0000276300000000, -0.0001370800000000, 0.0000875600000000 ] - [ 0.0001924000000000, -0.0001567300000000, -0.0001761600000000 ] - [ 0.0000983100000000, 0.0001010600000000, -0.0000910900000000 ] - [ -0.0000580100000000, -0.0000350300000000, -0.0001165500000000 ] - [ -0.0000424100000000, 0.0001419700000000, -0.0000166900000000 ] - [ -0.0000061000000000, 0.0008036500000000, 0.0000458300000000 ] - [ -0.0000935900000000, -0.0000737600000000, -0.0001611000000000 ] - [ -0.0002707100000000, -0.0003244200000000, -0.0002218000000000 ] - [ -0.0000639900000000, 0.0000193800000000, 0.0000229900000000 ] - [ -0.0005059100000000, 0.0007162300000000, -0.0002030800000000 ] - [ -0.0000057500000000, -0.0001181600000000, 0.0001633900000000 ] - [ 0.0142202700000000, -0.0331232000000000, -0.0151062800000000 ] - [ -0.0000086900000000, 0.0000966900000000, 0.0000135200000000 ] - [ 0.0002562900000000, 0.0003148400000000, 0.0007216800000000 ] - [ 0.0009610900000000, -0.0005057000000000, -0.0000950500000000 ] - [ -0.0063033900000000, -0.0119309800000000, 0.0004396800000000 ] - [ 0.0001644400000000, -0.0000957600000000, -0.0000575600000000 ] - [ -0.0001405000000000, -0.0000045900000000, -0.0000465600000000 ] - [ 0.0001047500000000, 0.0002902900000000, -0.0003252900000000 ] - [ 0.0008495100000000, -0.0003837000000000, 0.0003704700000000 ] - [ -0.0000139100000000, 0.0000517100000000, 0.0000995700000000 ] - [ 0.0001262200000000, -0.0000296400000000, -0.0000185200000000 ] - [ -0.0014777000000000, 0.0010522200000000, 0.0006597800000000 ] - [ -0.0001317100000000, 0.0000724200000000, -0.0000113700000000 ] - [ -0.0001419800000000, -0.0000893200000000, -0.0000435800000000 ] - [ -0.0000190000000000, -0.0001166500000000, 0.0000906800000000 ] - [ -0.0000973400000000, 0.0001376000000000, 0.0000164000000000 ] - [ -0.0000517600000000, -0.0000334100000000, 0.0001888800000000 ] - [ -0.0004027300000000, 0.0000851000000000, -0.0000337600000000 ]- atom: 19 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000929000000000, -0.0000078200000000, -0.0001096200000000 ] - [ 0.0001021700000000, -0.0000335600000000, -0.0000518300000000 ] - [ -0.0008849100000000, 0.0003334400000000, -0.0003457300000000 ] - [ -0.0001388200000000, -0.0001002000000000, 0.0000064300000000 ] - [ -0.0002086300000000, -0.0002181000000000, 0.0003272800000000 ] - [ 0.0000413700000000, 0.0001853500000000, -0.0000319300000000 ] - [ -0.0001479300000000, -0.0000238800000000, -0.0000744100000000 ] - [ -0.0000855100000000, 0.0001480500000000, 0.0001900900000000 ] - [ 0.0000477400000000, -0.0002744200000000, -0.0000266100000000 ] - [ 0.0004074000000000, -0.0000759800000000, 0.0004297300000000 ] - [ 0.0000135700000000, -0.0001820500000000, 0.0001711100000000 ] - [ 0.0000734400000000, 0.0001820400000000, 0.0000541800000000 ] - [ -0.0000072600000000, -0.0000513400000000, 0.0001759300000000 ] - [ 0.0000408800000000, 0.0000184800000000, 0.0003117900000000 ] - [ -0.0008303000000000, -0.0008593900000000, 0.0026405800000000 ] - [ 0.0000976700000000, 0.0002091300000000, 0.0000277400000000 ] - [ 0.0000181600000000, -0.0001919600000000, 0.0000997000000000 ] - [ -0.0011105500000000, 0.0014245500000000, 0.0037554500000000 ] - [ 0.0313786300000000, -0.0139121600000000, -0.0350583100000000 ] - [ 0.0000686300000000, -0.0000054400000000, 0.0002660800000000 ] - [ -0.0000348300000000, 0.0000574500000000, 0.0001290000000000 ] - [ -0.0016970800000000, -0.0002978100000000, 0.0028097400000000 ] - [ -0.0001884900000000, -0.0002138700000000, 0.0000296400000000 ] - [ 0.0001434700000000, 0.0035280200000000, 0.0014165600000000 ] - [ 0.0018113500000000, -0.0017937700000000, -0.0008760700000000 ] - [ -0.0000224500000000, 0.0001106000000000, -0.0000607500000000 ] - [ -0.0000618400000000, -0.0000959300000000, 0.0000655000000000 ] - [ -0.0002187900000000, 0.0001284400000000, 0.0001072100000000 ] - [ 0.0029493200000000, -0.0000991600000000, -0.0005821900000000 ] - [ 0.0000736000000000, -0.0001153600000000, -0.0000203600000000 ] - [ -0.0000210900000000, -0.0000711700000000, 0.0000416200000000 ] - [ -0.0001541100000000, 0.0001068900000000, 0.0001552500000000 ] - [ -0.0000034800000000, 0.0001062100000000, -0.0000282500000000 ] - [ -0.0022062100000000, -0.0024611400000000, 0.0004164300000000 ] - [ 0.0000793700000000, 0.0001605100000000, -0.0000891700000000 ] - [ 0.0000582100000000, -0.0001169400000000, 0.0000986100000000 ] - [ -0.0000415100000000, 0.0000042100000000, -0.0001056100000000 ] - [ -0.0003570900000000, 0.0001789800000000, 0.0001509600000000 ] - [ -0.0000382000000000, -0.0001092800000000, -0.0002083100000000 ] - [ -0.0000863600000000, 0.0000374500000000, -0.0000066200000000 ] - [ -0.0001019300000000, -0.0000238800000000, -0.0000120100000000 ] - [ -0.0001023900000000, 0.0000251400000000, 0.0000430200000000 ] - [ 0.0002292300000000, -0.0000456500000000, 0.0000199400000000 ] - [ 0.0000886000000000, -0.0000333100000000, -0.0000527500000000 ] - [ -0.0000397300000000, 0.0000784100000000, -0.0000113900000000 ] - [ -0.0000928800000000, -0.0001047300000000, -0.0000648600000000 ] - [ 0.0000321500000000, 0.0001883300000000, -0.0000409100000000 ] - [ -0.0000121600000000, -0.0001984900000000, -0.0000757800000000 ] - [ 0.0000752400000000, -0.0001581700000000, -0.0000816500000000 ] - [ 0.0001068100000000, 0.0001185600000000, -0.0000509400000000 ] - [ 0.0001194200000000, -0.0006265200000000, -0.0003581600000000 ] - [ 0.0001774000000000, 0.0000007400000000, 0.0000831000000000 ] - [ 0.0003496500000000, 0.0005997000000000, -0.0000372000000000 ] - [ -0.0000576000000000, -0.0000151300000000, 0.0002750900000000 ] - [ -0.0001349400000000, 0.0000902800000000, 0.0000694200000000 ] - [ -0.0000810900000000, 0.0000701100000000, -0.0000677600000000 ] - [ -0.0000663300000000, -0.0001102300000000, 0.0000728200000000 ] - [ 0.0000423100000000, 0.0000531300000000, -0.0000076600000000 ] - [ -0.0000658700000000, 0.0001482700000000, 0.0000952900000000 ] - [ -0.0000878700000000, -0.0001777300000000, 0.0001762400000000 ] - [ 0.0000335400000000, -0.0002300500000000, 0.0001498700000000 ] - [ 0.0001623200000000, 0.0002030200000000, -0.0001898000000000 ] - [ 0.0000605700000000, -0.0001225100000000, -0.0000263600000000 ] - [ 0.0000482500000000, 0.0000629300000000, -0.0001594200000000 ] - [ -0.0001601300000000, 0.0003839000000000, -0.0000199100000000 ] - [ -0.0002806500000000, -0.0001060100000000, -0.0002627800000000 ] - [ 0.0004222500000000, 0.0004417600000000, -0.0000723200000000 ] - [ -0.0001871700000000, -0.0001412100000000, -0.0000314800000000 ] - [ -0.0000047400000000, -0.0003932000000000, -0.0000017300000000 ] - [ 0.0001687600000000, -0.0002294800000000, -0.0006560400000000 ] - [ -0.0117454400000000, 0.0159792300000000, 0.0128580200000000 ] - [ -0.0000377200000000, -0.0000171000000000, -0.0001069100000000 ] - [ 0.0000152700000000, -0.0001818300000000, -0.0001404000000000 ] - [ 0.0003067500000000, -0.0001357100000000, 0.0014357400000000 ] - [ -0.0191616500000000, -0.0006086600000000, 0.0114150200000000 ] - [ 0.0001263600000000, 0.0000122300000000, -0.0003120400000000 ] - [ -0.0001295600000000, -0.0001295400000000, 0.0000283600000000 ] - [ 0.0002886900000000, -0.0002060600000000, -0.0008503700000000 ] - [ -0.0008138700000000, 0.0001781900000000, 0.0017728800000000 ] - [ 0.0000463800000000, -0.0000580800000000, -0.0000976800000000 ] - [ 0.0001196000000000, -0.0000684600000000, -0.0000756600000000 ] - [ 0.0007753200000000, -0.0000004300000000, -0.0010337100000000 ] - [ 0.0000613900000000, 0.0000865800000000, 0.0000873000000000 ] - [ -0.0000216600000000, 0.0000110000000000, 0.0000508300000000 ] - [ -0.0000568800000000, -0.0001436700000000, -0.0000774900000000 ] - [ 0.0001044200000000, 0.0000990100000000, 0.0000987200000000 ] - [ 0.0000946600000000, -0.0000971900000000, -0.0001186200000000 ] - [ 0.0004344500000000, -0.0000765800000000, 0.0001613100000000 ]- atom: 19 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000473600000000, -0.0000115600000000, -0.0000258100000000 ] - [ 0.0000387100000000, 0.0000531300000000, -0.0000843400000000 ] - [ 0.0006100700000000, -0.0001557400000000, 0.0004060300000000 ] - [ -0.0001192000000000, -0.0000718600000000, 0.0000635200000000 ] - [ 0.0003352700000000, -0.0001184400000000, -0.0003587000000000 ] - [ 0.0000804300000000, 0.0001524900000000, 0.0000058900000000 ] - [ -0.0000292100000000, -0.0001451200000000, 0.0000891000000000 ] - [ -0.0000924700000000, 0.0000176800000000, -0.0001824800000000 ] - [ 0.0000911300000000, -0.0003033200000000, -0.0000941200000000 ] - [ -0.0002587000000000, 0.0006421600000000, -0.0005443500000000 ] - [ 0.0000363500000000, -0.0000869800000000, 0.0000777700000000 ] - [ -0.0000240700000000, 0.0000883400000000, 0.0001951200000000 ] - [ -0.0001016700000000, -0.0001207400000000, 0.0001270900000000 ] - [ -0.0001496900000000, 0.0001550300000000, -0.0000107500000000 ] - [ 0.0009281900000000, 0.0005267200000000, -0.0025599200000000 ] - [ -0.0000257400000000, 0.0001500000000000, 0.0001441000000000 ] - [ -0.0000430700000000, -0.0002141600000000, 0.0000378000000000 ] - [ 0.0010775500000000, -0.0009690600000000, -0.0035389900000000 ] - [ -0.0309459900000000, 0.0136097600000000, 0.0356139200000000 ] - [ 0.0000637900000000, 0.0000104700000000, 0.0002194000000000 ] - [ -0.0001355900000000, -0.0000327700000000, 0.0000164300000000 ] - [ 0.0014866900000000, 0.0002483500000000, -0.0026155100000000 ] - [ -0.0002083000000000, -0.0001915900000000, 0.0000073300000000 ] - [ -0.0005342000000000, -0.0031412500000000, -0.0013714600000000 ] - [ -0.0018425200000000, 0.0016542500000000, 0.0006057800000000 ] - [ -0.0000074300000000, 0.0000485500000000, -0.0002092400000000 ] - [ -0.0001031800000000, -0.0001334800000000, -0.0000003600000000 ] - [ 0.0000532500000000, 0.0000986600000000, -0.0000445800000000 ] - [ -0.0028500500000000, 0.0001797200000000, 0.0002667500000000 ] - [ 0.0000557800000000, 0.0000258500000000, -0.0002930100000000 ] - [ -0.0000408800000000, -0.0000992700000000, -0.0000041700000000 ] - [ 0.0000932600000000, 0.0000642800000000, -0.0001193800000000 ] - [ -0.0000053800000000, 0.0001102100000000, -0.0000950200000000 ] - [ 0.0022187700000000, 0.0022521500000000, -0.0005304100000000 ] - [ 0.0000163700000000, 0.0001067700000000, 0.0002182900000000 ] - [ 0.0000368200000000, -0.0001503700000000, 0.0000292200000000 ] - [ -0.0000281400000000, -0.0000123000000000, -0.0001184600000000 ] - [ 0.0002898200000000, -0.0001719200000000, -0.0003745400000000 ] - [ -0.0000986300000000, 0.0000475700000000, 0.0001435400000000 ] - [ -0.0000507200000000, 0.0000241500000000, -0.0000605200000000 ] - [ 0.0000270200000000, -0.0000521400000000, -0.0000210900000000 ] - [ 0.0000272600000000, 0.0000515700000000, -0.0000767600000000 ] - [ 0.0002774600000000, -0.0000251000000000, -0.0000144200000000 ] - [ 0.0004180400000000, 0.0001046800000000, 0.0000585000000000 ] - [ 0.0000468600000000, 0.0000178100000000, -0.0001454600000000 ] - [ 0.0000997000000000, 0.0000082200000000, -0.0000904500000000 ] - [ 0.0000573600000000, 0.0002285600000000, -0.0000875400000000 ] - [ 0.0001012700000000, -0.0002180300000000, -0.0000524100000000 ] - [ 0.0002114100000000, -0.0000449300000000, 0.0000075100000000 ] - [ 0.0001788000000000, 0.0000857700000000, -0.0000243900000000 ] - [ 0.0001906700000000, 0.0005920300000000, 0.0005240800000000 ] - [ 0.0001384000000000, 0.0000231600000000, 0.0000780400000000 ] - [ -0.0006217700000000, -0.0006609500000000, 0.0002668900000000 ] - [ -0.0002194100000000, 0.0000852800000000, -0.0000532800000000 ] - [ 0.0000233900000000, -0.0001954500000000, -0.0000582900000000 ] - [ -0.0000304400000000, 0.0000340300000000, 0.0000802000000000 ] - [ 0.0002064300000000, 0.0000443800000000, -0.0000909700000000 ] - [ 0.0000965500000000, 0.0000119500000000, -0.0000089800000000 ] - [ -0.0000382400000000, 0.0001565800000000, 0.0001391700000000 ] - [ -0.0000156800000000, -0.0001273100000000, 0.0000571900000000 ] - [ 0.0001356600000000, -0.0000800100000000, -0.0003655500000000 ] - [ 0.0000065600000000, 0.0001077800000000, -0.0000222600000000 ] - [ -0.0001001800000000, -0.0000776900000000, -0.0001191200000000 ] - [ -0.0000879500000000, 0.0001385600000000, 0.0000155400000000 ] - [ -0.0001805500000000, -0.0001660700000000, -0.0003589300000000 ] - [ -0.0000602200000000, -0.0001119900000000, -0.0001170700000000 ] - [ -0.0006216500000000, -0.0002926400000000, 0.0000388400000000 ] - [ -0.0000037300000000, -0.0000166500000000, 0.0000020700000000 ] - [ 0.0000738600000000, 0.0005354500000000, -0.0001254100000000 ] - [ -0.0001057300000000, 0.0000901500000000, 0.0005432300000000 ] - [ 0.0116495000000000, -0.0156622100000000, -0.0129852000000000 ] - [ 0.0000684100000000, -0.0000196500000000, 0.0000374300000000 ] - [ 0.0001836000000000, 0.0001539600000000, 0.0001705300000000 ] - [ -0.0001176200000000, 0.0001658700000000, -0.0013566300000000 ] - [ 0.0193592600000000, 0.0006431600000000, -0.0117339400000000 ] - [ 0.0001969200000000, -0.0000696900000000, 0.0001218600000000 ] - [ -0.0000607800000000, -0.0001265700000000, 0.0000761800000000 ] - [ -0.0004933300000000, 0.0004651200000000, 0.0009471300000000 ] - [ 0.0008368500000000, -0.0000274600000000, -0.0017017400000000 ] - [ -0.0000333800000000, -0.0001032700000000, 0.0001618300000000 ] - [ 0.0000372500000000, -0.0000300400000000, -0.0000249800000000 ] - [ -0.0006225600000000, 0.0001051600000000, 0.0009234000000000 ] - [ -0.0002633200000000, -0.0000241300000000, -0.0000326900000000 ] - [ -0.0001810600000000, -0.0000755200000000, 0.0000042200000000 ] - [ -0.0000075600000000, -0.0000509500000000, 0.0001574000000000 ] - [ -0.0001709900000000, 0.0000984200000000, -0.0000219600000000 ] - [ -0.0000708000000000, 0.0000627000000000, 0.0002648800000000 ] - [ -0.0004063500000000, 0.0001117400000000, -0.0000175800000000 ]- atom: 21 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000348700000000, -0.0000339400000000, -0.0000603800000000 ] - [ 0.0000390800000000, 0.0000197300000000, -0.0000831000000000 ] - [ -0.0001067400000000, 0.0000583800000000, -0.0000085900000000 ] - [ -0.0006192500000000, 0.0006264400000000, 0.0002717500000000 ] - [ 0.0000974300000000, -0.0001599200000000, 0.0000035200000000 ] - [ 0.0000728500000000, 0.0001640700000000, -0.0000179700000000 ] - [ -0.0000297300000000, -0.0001444900000000, 0.0000432500000000 ] - [ -0.0000459900000000, 0.0000905800000000, -0.0000407500000000 ] - [ 0.0021931000000000, 0.0004925000000000, -0.0006548400000000 ] - [ 0.0001031600000000, 0.0002557500000000, -0.0000479300000000 ] - [ 0.0000356400000000, -0.0000847100000000, 0.0001203700000000 ] - [ 0.0000313600000000, 0.0001395000000000, 0.0001326400000000 ] - [ -0.0000139800000000, -0.0001026900000000, 0.0001544300000000 ] - [ -0.0000863600000000, 0.0001434700000000, 0.0001085400000000 ] - [ 0.0003856000000000, 0.0000975600000000, 0.0000140700000000 ] - [ 0.0000850000000000, 0.0001570300000000, 0.0000989400000000 ] - [ -0.0004297500000000, -0.0034237500000000, -0.0004181400000000 ] - [ -0.0000290800000000, 0.0002177300000000, 0.0000551900000000 ] - [ -0.0000050600000000, 0.0000441700000000, 0.0002930300000000 ] - [ -0.0007837400000000, -0.0017863500000000, -0.0013582100000000 ] - [ -0.0334764200000000, -0.0292095400000000, -0.0151243700000000 ] - [ -0.0000786500000000, -0.0000398800000000, 0.0000996000000000 ] - [ -0.0004094000000000, -0.0002258800000000, -0.0000420100000000 ] - [ -0.0001948900000000, 0.0002721200000000, 0.0000317000000000 ] - [ -0.0000109200000000, -0.0000287500000000, -0.0001657700000000 ] - [ -0.0002015300000000, 0.0000209200000000, -0.0001128800000000 ] - [ 0.0007265000000000, 0.0014675100000000, -0.0021593500000000 ] - [ -0.0001045200000000, 0.0001691900000000, 0.0000518700000000 ] - [ 0.0005187600000000, -0.0004556400000000, -0.0006033900000000 ] - [ 0.0014784300000000, -0.0006503200000000, 0.0025258300000000 ] - [ 0.0027509400000000, 0.0015498100000000, -0.0003865000000000 ] - [ -0.0001139800000000, -0.0000053900000000, 0.0000843600000000 ] - [ 0.0032424700000000, 0.0009581100000000, 0.0014369300000000 ] - [ -0.0000636700000000, -0.0001665200000000, -0.0000397700000000 ] - [ -0.0000107900000000, 0.0002801000000000, 0.0000068500000000 ] - [ 0.0002936900000000, 0.0001431300000000, 0.0001938200000000 ] - [ 0.0001051900000000, 0.0000736200000000, -0.0000992900000000 ] - [ -0.0000443900000000, 0.0000417400000000, -0.0000947600000000 ] - [ -0.0000886000000000, -0.0000108900000000, -0.0000156000000000 ] - [ 0.0000190600000000, 0.0001370100000000, -0.0000643700000000 ] - [ 0.0001104300000000, -0.0000339800000000, -0.0000916900000000 ] - [ 0.0000188300000000, 0.0000509700000000, -0.0000378700000000 ] - [ 0.0004135300000000, -0.0000669200000000, 0.0000555500000000 ] - [ 0.0003418300000000, 0.0000571500000000, 0.0000545500000000 ] - [ 0.0002050100000000, -0.0000716100000000, -0.0001570100000000 ] - [ 0.0000368000000000, -0.0000480500000000, -0.0000954000000000 ] - [ 0.0000953300000000, 0.0002762700000000, -0.0000809700000000 ] - [ 0.0000706800000000, -0.0001923500000000, -0.0000573200000000 ] - [ 0.0002128900000000, -0.0000611300000000, -0.0000054000000000 ] - [ 0.0001774000000000, 0.0000926000000000, -0.0000190300000000 ] - [ 0.0001612000000000, 0.0000156500000000, 0.0000998000000000 ] - [ 0.0000769100000000, 0.0000411400000000, 0.0001013600000000 ] - [ -0.0003147400000000, -0.0004538300000000, 0.0009063300000000 ] - [ -0.0005697400000000, 0.0001434100000000, -0.0005052500000000 ] - [ 0.0000097700000000, 0.0000131200000000, 0.0001307900000000 ] - [ 0.0000256000000000, 0.0001928900000000, -0.0000667500000000 ] - [ 0.0000801600000000, -0.0000585500000000, -0.0000058500000000 ] - [ 0.0002266700000000, -0.0000443500000000, -0.0000419000000000 ] - [ -0.0000459400000000, 0.0001486200000000, 0.0001136300000000 ] - [ -0.0000384100000000, -0.0001461600000000, 0.0001107000000000 ] - [ 0.0000546900000000, 0.0000562300000000, -0.0000211600000000 ] - [ -0.0001827800000000, 0.0002907100000000, -0.0003151400000000 ] - [ -0.0001041200000000, -0.0001740200000000, -0.0000277500000000 ] - [ -0.0001109200000000, 0.0000273700000000, -0.0001138300000000 ] - [ -0.0001937800000000, 0.0000671800000000, -0.0002089600000000 ] - [ -0.0001440900000000, -0.0001995100000000, -0.0001565000000000 ] - [ -0.0002964800000000, -0.0000046200000000, -0.0000898600000000 ] - [ -0.0001289000000000, -0.0000473400000000, -0.0000226700000000 ] - [ -0.0001619200000000, 0.0001690300000000, -0.0002275300000000 ] - [ -0.0000347700000000, -0.0004842900000000, 0.0002376400000000 ] - [ 0.0000531000000000, -0.0000957400000000, -0.0000416600000000 ] - [ 0.0020694700000000, 0.0008279900000000, 0.0002699100000000 ] - [ 0.0104456100000000, 0.0177703600000000, -0.0003991400000000 ] - [ 0.0002621100000000, -0.0000693600000000, 0.0003183100000000 ] - [ 0.0002375700000000, 0.0000083200000000, -0.0004971600000000 ] - [ 0.0132087500000000, 0.0118701800000000, 0.0170294900000000 ] - [ -0.0011352800000000, -0.0008422700000000, 0.0002083200000000 ] - [ -0.0000518400000000, -0.0000345600000000, 0.0000812400000000 ] - [ 0.0000861200000000, -0.0002668100000000, -0.0000444100000000 ] - [ -0.0009524500000000, -0.0002049000000000, -0.0003984900000000 ] - [ 0.0018218600000000, 0.0002238800000000, -0.0001692400000000 ] - [ 0.0000577700000000, 0.0001286400000000, -0.0001143300000000 ] - [ -0.0002223400000000, -0.0000048700000000, 0.0000524700000000 ] - [ -0.0002114100000000, -0.0000120900000000, -0.0000306100000000 ] - [ -0.0000899800000000, 0.0000108000000000, 0.0000404100000000 ] - [ -0.0002437300000000, 0.0001324500000000, 0.0000754000000000 ] - [ -0.0005327000000000, -0.0001549400000000, -0.0000463900000000 ] - [ -0.0000594400000000, 0.0000657800000000, 0.0000746700000000 ]- atom: 21 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0001047900000000, 0.0000138500000000, -0.0000761400000000 ] - [ 0.0001008200000000, 0.0000001300000000, -0.0000533100000000 ] - [ -0.0001515100000000, 0.0001139000000000, 0.0000780600000000 ] - [ 0.0003684000000000, -0.0008137500000000, -0.0002069100000000 ] - [ 0.0000242900000000, -0.0001776400000000, -0.0000289600000000 ] - [ 0.0000482200000000, 0.0001739700000000, -0.0000088100000000 ] - [ -0.0001482900000000, -0.0000236700000000, -0.0000301800000000 ] - [ -0.0001333100000000, 0.0000760500000000, 0.0000506500000000 ] - [ -0.0019808400000000, -0.0010461100000000, 0.0005116800000000 ] - [ 0.0000349000000000, 0.0003198200000000, -0.0000728300000000 ] - [ 0.0000135600000000, -0.0001842800000000, 0.0001285000000000 ] - [ 0.0000173800000000, 0.0001306800000000, 0.0001166000000000 ] - [ -0.0000958900000000, -0.0000694800000000, 0.0001473700000000 ] - [ -0.0000246800000000, 0.0000298400000000, 0.0001920700000000 ] - [ -0.0003071000000000, -0.0004520000000000, 0.0001560100000000 ] - [ -0.0000131000000000, 0.0002024400000000, 0.0000726700000000 ] - [ 0.0004054000000000, 0.0029873000000000, 0.0005639500000000 ] - [ 0.0000029700000000, 0.0001883200000000, 0.0000830000000000 ] - [ 0.0001355100000000, -0.0000491100000000, 0.0001930000000000 ] - [ 0.0009144500000000, 0.0017899000000000, 0.0018243400000000 ] - [ 0.0332292600000000, 0.0294741100000000, 0.0155414700000000 ] - [ -0.0000915700000000, 0.0000141900000000, 0.0000465500000000 ] - [ 0.0000126000000000, -0.0001791000000000, 0.0000793600000000 ] - [ -0.0002018600000000, 0.0001342300000000, 0.0000056800000000 ] - [ -0.0000195900000000, -0.0001295400000000, -0.0001048200000000 ] - [ 0.0001713100000000, 0.0001384300000000, -0.0001572400000000 ] - [ -0.0008953900000000, -0.0016660100000000, 0.0022081900000000 ] - [ -0.0000611200000000, 0.0000602900000000, 0.0000113400000000 ] - [ -0.0003965300000000, 0.0005562900000000, 0.0003020500000000 ] - [ -0.0013520700000000, 0.0005645600000000, -0.0028113400000000 ] - [ -0.0028664400000000, -0.0017628900000000, 0.0004548300000000 ] - [ 0.0000507900000000, 0.0001743400000000, -0.0000469800000000 ] - [ -0.0033262800000000, -0.0007466600000000, -0.0016169900000000 ] - [ 0.0000539600000000, -0.0000493900000000, -0.0000831100000000 ] - [ 0.0001048100000000, -0.0000120800000000, 0.0001209400000000 ] - [ -0.0001987900000000, -0.0004076100000000, -0.0000645700000000 ] - [ -0.0001744500000000, -0.0000800500000000, -0.0001259700000000 ] - [ -0.0000256300000000, -0.0000333000000000, -0.0001292100000000 ] - [ -0.0000479700000000, -0.0000505200000000, -0.0000501300000000 ] - [ -0.0001546900000000, -0.0000755400000000, -0.0000008500000000 ] - [ -0.0001866100000000, -0.0000420500000000, 0.0000583700000000 ] - [ -0.0000952300000000, 0.0000256700000000, 0.0000042400000000 ] - [ 0.0000952700000000, -0.0000045100000000, -0.0000486900000000 ] - [ 0.0001645600000000, 0.0000145800000000, -0.0000484000000000 ] - [ -0.0001978700000000, 0.0001691400000000, -0.0000000300000000 ] - [ -0.0000307500000000, -0.0000488400000000, -0.0000605800000000 ] - [ -0.0000064000000000, 0.0001400300000000, -0.0000476000000000 ] - [ 0.0000178300000000, -0.0002234700000000, -0.0000710800000000 ] - [ 0.0000733400000000, -0.0001421700000000, -0.0000690100000000 ] - [ 0.0001077600000000, 0.0001115100000000, -0.0000560400000000 ] - [ 0.0001536800000000, -0.0000379100000000, 0.0000615800000000 ] - [ 0.0002366400000000, -0.0000173000000000, 0.0000597300000000 ] - [ 0.0000340300000000, 0.0003885500000000, -0.0006944400000000 ] - [ 0.0002900000000000, -0.0000826500000000, 0.0007423600000000 ] - [ -0.0001230000000000, -0.0001176800000000, -0.0001182100000000 ] - [ -0.0001385600000000, -0.0000862600000000, 0.0000782800000000 ] - [ 0.0000592100000000, -0.0000080800000000, -0.0000113400000000 ] - [ -0.0000857600000000, 0.0001094100000000, 0.0000250600000000 ] - [ -0.0000584900000000, 0.0001565500000000, 0.0001208600000000 ] - [ -0.0000656700000000, -0.0001587400000000, 0.0001232200000000 ] - [ 0.0001117400000000, -0.0003668000000000, -0.0001911700000000 ] - [ 0.0003494800000000, 0.0000221800000000, 0.0001031600000000 ] - [ 0.0000633800000000, -0.0000265300000000, -0.0001173800000000 ] - [ 0.0000703800000000, 0.0001742800000000, -0.0000311000000000 ] - [ -0.0001459600000000, 0.0001487800000000, -0.0001718900000000 ] - [ -0.0001948100000000, -0.0000175800000000, -0.0002233900000000 ] - [ 0.0000998700000000, 0.0001615000000000, 0.0000572000000000 ] - [ -0.0000629100000000, -0.0001104300000000, -0.0000072000000000 ] - [ 0.0002327400000000, -0.0000254700000000, 0.0001014500000000 ] - [ 0.0001049400000000, 0.0003339400000000, -0.0003533300000000 ] - [ -0.0000190800000000, 0.0001299600000000, -0.0000276200000000 ] - [ -0.0020435800000000, -0.0008601700000000, -0.0003339700000000 ] - [ -0.0101139700000000, -0.0178788900000000, 0.0004513500000000 ] - [ -0.0000647700000000, 0.0001002800000000, -0.0002868600000000 ] - [ 0.0000863400000000, 0.0000499900000000, 0.0003037700000000 ] - [ -0.0128002000000000, -0.0120357600000000, -0.0174732100000000 ] - [ 0.0009489200000000, 0.0005774300000000, -0.0001145900000000 ] - [ -0.0001410900000000, 0.0002902800000000, 0.0000226800000000 ] - [ -0.0000764500000000, 0.0004277000000000, 0.0001090000000000 ] - [ 0.0009700800000000, 0.0000303200000000, 0.0004579200000000 ] - [ -0.0017101400000000, -0.0003343000000000, 0.0000670800000000 ] - [ 0.0000997700000000, -0.0000314600000000, 0.0000116300000000 ] - [ 0.0000193100000000, 0.0000671400000000, 0.0000006200000000 ] - [ 0.0000071200000000, -0.0000501900000000, 0.0000840700000000 ] - [ 0.0000261200000000, -0.0002051800000000, 0.0000384000000000 ] - [ 0.0001788200000000, 0.0000640000000000, 0.0000024500000000 ] - [ 0.0005486300000000, 0.0001134400000000, 0.0001844900000000 ] - [ 0.0000849900000000, -0.0000281500000000, 0.0000681800000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000123500000000, -0.0000756100000000, -0.0000653200000000 ] - [ 0.0000609900000000, 0.0000309800000000, -0.0000801500000000 ] - [ -0.0001480700000000, 0.0000510700000000, -0.0000612100000000 ] - [ 0.0005344100000000, 0.0004921000000000, 0.0005630200000000 ] - [ 0.0001132900000000, -0.0001378300000000, 0.0000032700000000 ] - [ 0.0000557700000000, 0.0001380700000000, -0.0000126500000000 ] - [ -0.0000035400000000, -0.0001735800000000, 0.0001045300000000 ] - [ 0.0000166200000000, 0.0001182900000000, -0.0000603700000000 ] - [ 0.0010837200000000, 0.0003088300000000, -0.0001746100000000 ] - [ 0.0001097000000000, 0.0001853900000000, -0.0000617700000000 ] - [ -0.0000101300000000, 0.0000617300000000, 0.0001341800000000 ] - [ 0.0000314400000000, 0.0001802500000000, 0.0001271200000000 ] - [ -0.0001196000000000, -0.0001423500000000, 0.0000997200000000 ] - [ -0.0000737300000000, 0.0002193200000000, 0.0001040700000000 ] - [ 0.0008026300000000, 0.0004649500000000, 0.0000125900000000 ] - [ -0.0000152100000000, 0.0001599900000000, 0.0001587300000000 ] - [ -0.0020862200000000, 0.0032121900000000, 0.0010950500000000 ] - [ -0.0000208600000000, 0.0002665900000000, -0.0000253700000000 ] - [ -0.0000193600000000, 0.0000475900000000, 0.0002897000000000 ] - [ -0.0007147500000000, 0.0005992400000000, 0.0005274700000000 ] - [ -0.0289242800000000, -0.0826234600000000, -0.0073911400000000 ] - [ -0.0000596900000000, -0.0001960100000000, 0.0000095500000000 ] - [ -0.0002650900000000, -0.0000703000000000, 0.0001249700000000 ] - [ -0.0001604900000000, 0.0003898400000000, 0.0000322400000000 ] - [ 0.0000529100000000, 0.0000895200000000, -0.0002661300000000 ] - [ -0.0001135000000000, 0.0002033200000000, 0.0000030800000000 ] - [ 0.0012810400000000, 0.0059584000000000, -0.0046359400000000 ] - [ -0.0001361600000000, 0.0002419300000000, 0.0000412300000000 ] - [ -0.0008038900000000, 0.0013434600000000, 0.0014487800000000 ] - [ 0.0010287700000000, -0.0013528700000000, 0.0039327300000000 ] - [ 0.0016802500000000, -0.0008655300000000, -0.0006830700000000 ] - [ -0.0001148800000000, 0.0000047000000000, 0.0000442000000000 ] - [ -0.0012241000000000, -0.0009011700000000, -0.0015835100000000 ] - [ -0.0000810800000000, -0.0002241800000000, -0.0000148000000000 ] - [ -0.0001381400000000, 0.0005738700000000, -0.0000634200000000 ] - [ 0.0004583500000000, 0.0005133900000000, 0.0003559100000000 ] - [ 0.0001074100000000, -0.0000106400000000, -0.0001757600000000 ] - [ -0.0000637000000000, 0.0000962600000000, -0.0000821500000000 ] - [ -0.0001405000000000, 0.0000298100000000, 0.0000226400000000 ] - [ 0.0000525200000000, -0.0001227700000000, -0.0000214000000000 ] - [ 0.0000892200000000, -0.0000649100000000, -0.0000781600000000 ] - [ 0.0000155100000000, 0.0000848800000000, -0.0000348900000000 ] - [ 0.0003671100000000, -0.0000262700000000, 0.0000330400000000 ] - [ 0.0003416500000000, 0.0000283300000000, 0.0000491000000000 ] - [ 0.0000877200000000, 0.0000133000000000, -0.0001414200000000 ] - [ -0.0000058500000000, -0.0001070200000000, -0.0000771400000000 ] - [ 0.0001160400000000, 0.0003761200000000, -0.0000941900000000 ] - [ 0.0000385500000000, -0.0001451600000000, -0.0000599500000000 ] - [ 0.0002555000000000, 0.0000013600000000, 0.0000435400000000 ] - [ 0.0001575700000000, 0.0001064100000000, -0.0000132400000000 ] - [ 0.0001941200000000, 0.0000780000000000, 0.0001221000000000 ] - [ -0.0000480000000000, 0.0001643000000000, 0.0001434700000000 ] - [ -0.0001706200000000, -0.0004271200000000, -0.0008630400000000 ] - [ -0.0005702600000000, 0.0020628300000000, -0.0043669100000000 ] - [ -0.0000046700000000, 0.0000921200000000, 0.0002222100000000 ] - [ 0.0000874200000000, 0.0004051100000000, -0.0001475500000000 ] - [ 0.0000432900000000, -0.0000933500000000, -0.0000294000000000 ] - [ 0.0002346900000000, -0.0001133700000000, -0.0000442100000000 ] - [ -0.0000166400000000, 0.0001231900000000, 0.0000780400000000 ] - [ -0.0000411100000000, -0.0001205100000000, 0.0000974800000000 ] - [ 0.0002187600000000, 0.0001209600000000, -0.0001171000000000 ] - [ -0.0001359900000000, 0.0004963900000000, 0.0000355100000000 ] - [ -0.0001471000000000, -0.0002642700000000, 0.0000080500000000 ] - [ -0.0001696300000000, -0.0000685600000000, -0.0001381200000000 ] - [ -0.0001024900000000, -0.0000901000000000, -0.0001200600000000 ] - [ -0.0000689800000000, -0.0004607100000000, -0.0001742900000000 ] - [ -0.0004589600000000, -0.0001991900000000, -0.0001212100000000 ] - [ -0.0000240000000000, -0.0000551700000000, -0.0001059200000000 ] - [ -0.0000228300000000, 0.0003046000000000, -0.0002405600000000 ] - [ -0.0005193100000000, -0.0008391300000000, 0.0004123400000000 ] - [ 0.0000120500000000, -0.0002758500000000, 0.0000572600000000 ] - [ 0.0002483600000000, 0.0013599100000000, 0.0005922800000000 ] - [ 0.0167143100000000, 0.0493844300000000, -0.0058797600000000 ] - [ 0.0006276300000000, -0.0002770500000000, 0.0010746300000000 ] - [ 0.0000206500000000, 0.0003940700000000, -0.0008869900000000 ] - [ 0.0121362400000000, 0.0213633000000000, 0.0170255800000000 ] - [ -0.0005009000000000, -0.0014832800000000, 0.0000528000000000 ] - [ -0.0000105800000000, -0.0002833600000000, 0.0001294300000000 ] - [ 0.0001410100000000, -0.0009201700000000, -0.0001122100000000 ] - [ -0.0008114800000000, -0.0018647000000000, -0.0010401400000000 ] - [ 0.0009281300000000, 0.0018344000000000, 0.0009955800000000 ] - [ 0.0001230100000000, 0.0001887000000000, -0.0001199700000000 ] - [ -0.0002516200000000, -0.0000215800000000, 0.0000385400000000 ] - [ -0.0002213100000000, -0.0001384000000000, -0.0000754000000000 ] - [ -0.0000612400000000, -0.0000473800000000, 0.0001013500000000 ] - [ -0.0002156300000000, 0.0002265600000000, 0.0000769500000000 ] - [ -0.0006073600000000, -0.0000965900000000, -0.0001520700000000 ] - [ -0.0000571900000000, 0.0001891100000000, 0.0000685900000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001292200000000, 0.0000563100000000, -0.0000718300000000 ] - [ 0.0000810200000000, -0.0000119700000000, -0.0000576200000000 ] - [ -0.0001112400000000, 0.0001214700000000, 0.0001288700000000 ] - [ -0.0008174200000000, -0.0006736700000000, -0.0005192100000000 ] - [ 0.0000090300000000, -0.0001965400000000, -0.0000317900000000 ] - [ 0.0000654300000000, 0.0001955000000000, -0.0000153000000000 ] - [ -0.0001755300000000, 0.0000056900000000, -0.0000917500000000 ] - [ -0.0001940900000000, 0.0000497500000000, 0.0000729300000000 ] - [ -0.0009422500000000, -0.0008869900000000, 0.0000542100000000 ] - [ 0.0000308500000000, 0.0003879500000000, -0.0000599200000000 ] - [ 0.0000623300000000, -0.0003326200000000, 0.0001130500000000 ] - [ 0.0000204900000000, 0.0000932100000000, 0.0001209100000000 ] - [ 0.0000098700000000, -0.0000282900000000, 0.0002040500000000 ] - [ -0.0000349500000000, -0.0000474500000000, 0.0001994600000000 ] - [ -0.0007082500000000, -0.0008024900000000, 0.0001552700000000 ] - [ 0.0000870800000000, 0.0001985900000000, 0.0000110200000000 ] - [ 0.0021023500000000, -0.0036873400000000, -0.0009650900000000 ] - [ -0.0000077600000000, 0.0001390000000000, 0.0001585900000000 ] - [ 0.0001496800000000, -0.0000516700000000, 0.0001982100000000 ] - [ 0.0008397600000000, -0.0005864900000000, -0.0000190600000000 ] - [ 0.0297714300000000, 0.0849902200000000, 0.0070728700000000 ] - [ -0.0001121100000000, 0.0001697000000000, 0.0001342400000000 ] - [ -0.0001341900000000, -0.0003264300000000, -0.0000909200000000 ] - [ -0.0002384500000000, 0.0000153900000000, 0.0000043700000000 ] - [ -0.0000839100000000, -0.0002501600000000, -0.0000020800000000 ] - [ 0.0000832100000000, -0.0000402500000000, -0.0002678200000000 ] - [ -0.0014640000000000, -0.0062794000000000, 0.0047428200000000 ] - [ -0.0000296100000000, -0.0000151800000000, 0.0000211100000000 ] - [ 0.0009162500000000, -0.0012309600000000, -0.0017317500000000 ] - [ -0.0008844000000000, 0.0012798500000000, -0.0042535200000000 ] - [ -0.0017414500000000, 0.0007096700000000, 0.0007274500000000 ] - [ 0.0000539600000000, 0.0001672600000000, -0.0000069400000000 ] - [ 0.0012416400000000, 0.0011121900000000, 0.0014789700000000 ] - [ 0.0000757500000000, 0.0000077200000000, -0.0001053400000000 ] - [ 0.0002347100000000, -0.0003058300000000, 0.0001939700000000 ] - [ -0.0003607000000000, -0.0007818100000000, -0.0002265900000000 ] - [ -0.0001738500000000, 0.0000063900000000, -0.0000523700000000 ] - [ -0.0000061900000000, -0.0000885100000000, -0.0001438800000000 ] - [ 0.0000031200000000, -0.0000889800000000, -0.0000835000000000 ] - [ -0.0001869300000000, 0.0001821100000000, -0.0000399600000000 ] - [ -0.0001651900000000, -0.0000092500000000, 0.0000480100000000 ] - [ -0.0000914200000000, -0.0000101900000000, 0.0000043000000000 ] - [ 0.0001391000000000, -0.0000447300000000, -0.0000292000000000 ] - [ 0.0001650800000000, 0.0000417200000000, -0.0000448700000000 ] - [ -0.0000833500000000, 0.0000822200000000, -0.0000130800000000 ] - [ 0.0000081300000000, 0.0000089800000000, -0.0000769400000000 ] - [ -0.0000318200000000, 0.0000378300000000, -0.0000322100000000 ] - [ 0.0000450500000000, -0.0002665600000000, -0.0000656600000000 ] - [ 0.0000287900000000, -0.0002075600000000, -0.0001185500000000 ] - [ 0.0001250500000000, 0.0001008800000000, -0.0000627200000000 ] - [ 0.0001242400000000, -0.0001015600000000, 0.0000403700000000 ] - [ 0.0003621900000000, -0.0001375500000000, 0.0000190400000000 ] - [ -0.0001031400000000, 0.0003631000000000, 0.0010813500000000 ] - [ 0.0002927300000000, -0.0019728600000000, 0.0045404600000000 ] - [ -0.0001053900000000, -0.0001924700000000, -0.0002121300000000 ] - [ -0.0001982100000000, -0.0003010800000000, 0.0001551200000000 ] - [ 0.0000930600000000, 0.0000282800000000, 0.0000099800000000 ] - [ -0.0000953900000000, 0.0001749600000000, 0.0000241300000000 ] - [ -0.0000889600000000, 0.0001835500000000, 0.0001540800000000 ] - [ -0.0000643800000000, -0.0001863200000000, 0.0001346100000000 ] - [ -0.0000468800000000, -0.0004282300000000, -0.0000946400000000 ] - [ 0.0003054500000000, -0.0001845200000000, -0.0002507700000000 ] - [ 0.0001075200000000, 0.0000634400000000, -0.0001532700000000 ] - [ 0.0001288000000000, 0.0002680300000000, -0.0000076500000000 ] - [ -0.0002362900000000, 0.0003052900000000, -0.0002596700000000 ] - [ -0.0002689300000000, 0.0002392100000000, -0.0002045300000000 ] - [ 0.0002610300000000, 0.0003526600000000, 0.0000887200000000 ] - [ -0.0001645600000000, -0.0001023600000000, 0.0000731100000000 ] - [ 0.0000941300000000, -0.0001616000000000, 0.0001181700000000 ] - [ 0.0005742200000000, 0.0006921300000000, -0.0005296600000000 ] - [ 0.0000167700000000, 0.0003096200000000, -0.0001275000000000 ] - [ -0.0002044800000000, -0.0014438600000000, -0.0006880100000000 ] - [ -0.0173741700000000, -0.0515817800000000, 0.0065958500000000 ] - [ -0.0004246200000000, 0.0003050500000000, -0.0010346900000000 ] - [ 0.0002963100000000, -0.0003266300000000, 0.0006919000000000 ] - [ -0.0119877800000000, -0.0214791400000000, -0.0174392700000000 ] - [ 0.0002978400000000, 0.0012177800000000, 0.0000545700000000 ] - [ -0.0001802900000000, 0.0005353100000000, -0.0000282100000000 ] - [ -0.0001269000000000, 0.0010726700000000, 0.0001750900000000 ] - [ 0.0008250600000000, 0.0017153000000000, 0.0011171200000000 ] - [ -0.0007798700000000, -0.0019383900000000, -0.0011124800000000 ] - [ 0.0000366900000000, -0.0000889200000000, 0.0000149700000000 ] - [ 0.0000513300000000, 0.0000815000000000, 0.0000133600000000 ] - [ 0.0000217100000000, 0.0000765500000000, 0.0001282100000000 ] - [ -0.0000040700000000, -0.0001466700000000, -0.0000242000000000 ] - [ 0.0001514000000000, -0.0000314300000000, 0.0000019200000000 ] - [ 0.0006318100000000, 0.0000614800000000, 0.0002954900000000 ] - [ 0.0000826700000000, -0.0001488100000000, 0.0000738400000000 ]- atom: 21 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000372400000000, -0.0000299500000000, -0.0000622900000000 ] - [ 0.0000523500000000, 0.0000362600000000, -0.0001183000000000 ] - [ -0.0001031400000000, 0.0000520800000000, 0.0000386000000000 ] - [ 0.0001072500000000, 0.0003782000000000, -0.0003058300000000 ] - [ 0.0000828500000000, -0.0001481100000000, -0.0000617700000000 ] - [ 0.0000526600000000, 0.0001892600000000, 0.0000853000000000 ] - [ 0.0000141300000000, -0.0001407400000000, 0.0000491500000000 ] - [ -0.0001290400000000, 0.0000694900000000, -0.0000517700000000 ] - [ -0.0001629200000000, -0.0001442100000000, -0.0000144500000000 ] - [ 0.0001116500000000, 0.0002823200000000, -0.0000208400000000 ] - [ 0.0000295400000000, -0.0001127000000000, 0.0000947400000000 ] - [ 0.0000143600000000, 0.0001206800000000, 0.0001599700000000 ] - [ 0.0000508100000000, -0.0001374400000000, 0.0001872000000000 ] - [ -0.0001339700000000, 0.0000932700000000, 0.0000803800000000 ] - [ 0.0001904300000000, -0.0001171000000000, -0.0000344800000000 ] - [ 0.0000607500000000, 0.0001218500000000, 0.0003104600000000 ] - [ 0.0006360700000000, -0.0018652000000000, -0.0001541200000000 ] - [ -0.0000144000000000, 0.0001756900000000, 0.0001653800000000 ] - [ -0.0000091800000000, 0.0000910100000000, 0.0002970400000000 ] - [ -0.0016658700000000, 0.0027034800000000, 0.0029215600000000 ] - [ -0.0149065300000000, -0.0067631700000000, -0.0662370800000000 ] - [ -0.0000583700000000, 0.0000497800000000, 0.0002779800000000 ] - [ -0.0002594700000000, -0.0000839900000000, -0.0000614000000000 ] - [ -0.0002016800000000, 0.0002374000000000, 0.0000428100000000 ] - [ -0.0000047000000000, -0.0000561700000000, -0.0001200700000000 ] - [ -0.0000201300000000, 0.0001637100000000, -0.0002054300000000 ] - [ -0.0011972200000000, -0.0014926900000000, -0.0007938400000000 ] - [ -0.0000552600000000, 0.0001093900000000, 0.0001593100000000 ] - [ -0.0007012100000000, 0.0012063200000000, 0.0009385000000000 ] - [ 0.0024656100000000, 0.0006504400000000, 0.0051928700000000 ] - [ -0.0029837400000000, -0.0017452900000000, 0.0009080500000000 ] - [ -0.0000489100000000, -0.0000169100000000, 0.0001691900000000 ] - [ 0.0027370800000000, -0.0003058600000000, 0.0005539000000000 ] - [ -0.0000524900000000, -0.0000560400000000, 0.0000284500000000 ] - [ -0.0000184800000000, 0.0002292900000000, 0.0001002500000000 ] - [ 0.0002077200000000, 0.0001262600000000, 0.0002074600000000 ] - [ 0.0000505600000000, 0.0000282000000000, -0.0002734800000000 ] - [ -0.0000484700000000, 0.0000381600000000, -0.0000704300000000 ] - [ -0.0000992500000000, 0.0000040100000000, 0.0000301500000000 ] - [ -0.0000587500000000, 0.0000154000000000, -0.0001676700000000 ] - [ -0.0000641900000000, -0.0000773000000000, 0.0000407300000000 ] - [ -0.0000020300000000, 0.0000441200000000, -0.0000342300000000 ] - [ 0.0002992200000000, -0.0000351300000000, -0.0000098900000000 ] - [ 0.0003803400000000, 0.0000884900000000, 0.0001071000000000 ] - [ 0.0001105100000000, -0.0000233200000000, -0.0001331000000000 ] - [ 0.0000057900000000, -0.0000491000000000, -0.0000575700000000 ] - [ 0.0000618700000000, 0.0002382600000000, -0.0000813600000000 ] - [ 0.0000594400000000, -0.0002210400000000, -0.0000494600000000 ] - [ 0.0001728500000000, -0.0000958000000000, -0.0000471500000000 ] - [ 0.0001740600000000, 0.0000669800000000, 0.0000343500000000 ] - [ 0.0001554200000000, -0.0000185000000000, 0.0000719800000000 ] - [ 0.0000820700000000, 0.0000456700000000, 0.0001231800000000 ] - [ 0.0001598600000000, -0.0017368000000000, 0.0053121100000000 ] - [ -0.0002391200000000, -0.0029864700000000, 0.0045321900000000 ] - [ 0.0000124200000000, 0.0000254700000000, 0.0001573600000000 ] - [ -0.0000357600000000, 0.0001489300000000, -0.0000711700000000 ] - [ 0.0000797400000000, -0.0000360300000000, 0.0000210800000000 ] - [ 0.0001226300000000, -0.0000174400000000, -0.0000916300000000 ] - [ -0.0000474600000000, 0.0001383200000000, 0.0001040200000000 ] - [ -0.0000513900000000, -0.0001511900000000, 0.0001257600000000 ] - [ 0.0002841800000000, -0.0002655500000000, -0.0001299200000000 ] - [ -0.0002389400000000, 0.0003049400000000, -0.0002318600000000 ] - [ -0.0000430000000000, -0.0000964000000000, -0.0000115400000000 ] - [ -0.0000917200000000, 0.0000628500000000, -0.0001216500000000 ] - [ -0.0002086800000000, 0.0001440600000000, -0.0002058800000000 ] - [ -0.0000866400000000, -0.0001680200000000, -0.0001407100000000 ] - [ -0.0002582700000000, -0.0000068000000000, -0.0000029800000000 ] - [ 0.0000109900000000, -0.0001193700000000, -0.0001471600000000 ] - [ -0.0007626800000000, 0.0002975100000000, -0.0003918700000000 ] - [ 0.0002320500000000, -0.0002250400000000, 0.0003794700000000 ] - [ 0.0000619600000000, -0.0000480300000000, -0.0000715000000000 ] - [ 0.0000389100000000, 0.0006790400000000, 0.0003000400000000 ] - [ 0.0007606100000000, -0.0055969800000000, 0.0109489300000000 ] - [ -0.0001311100000000, 0.0002197000000000, -0.0007152500000000 ] - [ 0.0003024100000000, -0.0005423600000000, -0.0007622700000000 ] - [ 0.0155804300000000, 0.0163124100000000, 0.0377198000000000 ] - [ -0.0008036300000000, -0.0017863200000000, -0.0005562900000000 ] - [ -0.0000750800000000, 0.0000766900000000, -0.0000009900000000 ] - [ 0.0001160800000000, -0.0003732700000000, -0.0000092700000000 ] - [ 0.0003281700000000, 0.0006027900000000, -0.0003777800000000 ] - [ 0.0002263700000000, 0.0011226800000000, 0.0002618100000000 ] - [ 0.0000534500000000, 0.0000757200000000, -0.0001426400000000 ] - [ -0.0001588200000000, 0.0000169100000000, -0.0001077400000000 ] - [ -0.0001557800000000, -0.0000331800000000, 0.0000355700000000 ] - [ -0.0000463900000000, -0.0000140100000000, 0.0000090500000000 ] - [ -0.0000669600000000, 0.0001077700000000, 0.0001135400000000 ] - [ -0.0002318400000000, -0.0000642500000000, 0.0001038400000000 ] - [ -0.0000401900000000, 0.0000119700000000, -0.0000444800000000 ]- atom: 21 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0001040900000000, 0.0000110800000000, -0.0000742200000000 ] - [ 0.0000880200000000, -0.0000164700000000, -0.0000183400000000 ] - [ -0.0001549500000000, 0.0001204400000000, 0.0000306000000000 ] - [ -0.0003646600000000, -0.0005530000000000, 0.0003919700000000 ] - [ 0.0000385700000000, -0.0001902400000000, 0.0000347800000000 ] - [ 0.0000690900000000, 0.0001494500000000, -0.0001114200000000 ] - [ -0.0001922900000000, -0.0000255200000000, -0.0000395300000000 ] - [ -0.0000502600000000, 0.0000971600000000, 0.0000638900000000 ] - [ 0.0002927600000000, -0.0004409100000000, -0.0001037900000000 ] - [ 0.0000270000000000, 0.0002942800000000, -0.0001002000000000 ] - [ 0.0000193600000000, -0.0001575700000000, 0.0001543900000000 ] - [ 0.0000343100000000, 0.0001481500000000, 0.0000893700000000 ] - [ -0.0001599200000000, -0.0000355600000000, 0.0001137300000000 ] - [ 0.0000241800000000, 0.0000780000000000, 0.0002217700000000 ] - [ -0.0001223400000000, -0.0002451700000000, 0.0002059600000000 ] - [ 0.0000156700000000, 0.0002362100000000, -0.0001387600000000 ] - [ -0.0006669400000000, 0.0014825900000000, 0.0002889100000000 ] - [ -0.0000099000000000, 0.0002306300000000, -0.0000277800000000 ] - [ 0.0001426700000000, -0.0000968800000000, 0.0001867100000000 ] - [ 0.0018389700000000, -0.0027453500000000, -0.0025013200000000 ] - [ 0.0157083000000000, 0.0077094900000000, 0.0682142000000000 ] - [ -0.0001118600000000, -0.0000727500000000, -0.0001316200000000 ] - [ -0.0001366500000000, -0.0003228300000000, 0.0000985500000000 ] - [ -0.0001945200000000, 0.0001683900000000, -0.0000059900000000 ] - [ -0.0000248600000000, -0.0001020300000000, -0.0001519700000000 ] - [ -0.0000099400000000, -0.0000045900000000, -0.0000621700000000 ] - [ 0.0010466500000000, 0.0013052700000000, 0.0008413800000000 ] - [ -0.0001100500000000, 0.0001204900000000, -0.0000954200000000 ] - [ 0.0008149700000000, -0.0010999900000000, -0.0012425300000000 ] - [ -0.0023553200000000, -0.0007633200000000, -0.0055457900000000 ] - [ 0.0029018100000000, 0.0015671600000000, -0.0008680100000000 ] - [ -0.0000139100000000, 0.0001861300000000, -0.0001313700000000 ] - [ -0.0027698400000000, 0.0005387200000000, -0.0006786100000000 ] - [ 0.0000429300000000, -0.0001585300000000, -0.0001515400000000 ] - [ 0.0001129600000000, 0.0000386100000000, 0.0000270000000000 ] - [ -0.0001123600000000, -0.0003927000000000, -0.0000793800000000 ] - [ -0.0001215900000000, -0.0000385000000000, 0.0000496400000000 ] - [ -0.0000219800000000, -0.0000301700000000, -0.0001533200000000 ] - [ -0.0000375100000000, -0.0000657300000000, -0.0000966800000000 ] - [ -0.0000787300000000, 0.0000468000000000, 0.0000998900000000 ] - [ -0.0000119400000000, 0.0000013900000000, -0.0000751500000000 ] - [ -0.0000750100000000, 0.0000321100000000, 0.0000006800000000 ] - [ 0.0002053400000000, -0.0000360700000000, 0.0000151300000000 ] - [ 0.0001255800000000, -0.0000166600000000, -0.0001015400000000 ] - [ -0.0001053600000000, 0.0001207600000000, -0.0000220900000000 ] - [ 0.0000007800000000, -0.0000471100000000, -0.0000989000000000 ] - [ 0.0000272500000000, 0.0001767200000000, -0.0000469400000000 ] - [ 0.0000301300000000, -0.0001962300000000, -0.0000795300000000 ] - [ 0.0001123700000000, -0.0001087600000000, -0.0000286600000000 ] - [ 0.0001118700000000, 0.0001362400000000, -0.0001086800000000 ] - [ 0.0001603800000000, -0.0000048800000000, 0.0000876900000000 ] - [ 0.0002336400000000, -0.0000245700000000, 0.0000383800000000 ] - [ -0.0004258500000000, 0.0016232200000000, -0.0049604300000000 ] - [ -0.0000341100000000, 0.0031280900000000, -0.0044025200000000 ] - [ -0.0001255200000000, -0.0001315600000000, -0.0001464400000000 ] - [ -0.0000770600000000, -0.0000438100000000, 0.0000827400000000 ] - [ 0.0000595000000000, -0.0000298000000000, -0.0000375300000000 ] - [ 0.0000153500000000, 0.0000848700000000, 0.0000744400000000 ] - [ -0.0000560500000000, 0.0001666200000000, 0.0001291500000000 ] - [ -0.0000526100000000, -0.0001543800000000, 0.0001086500000000 ] - [ -0.0001156200000000, -0.0000472000000000, -0.0000825200000000 ] - [ 0.0004098600000000, 0.0000044200000000, 0.0000175200000000 ] - [ 0.0000035200000000, -0.0001027000000000, -0.0001339500000000 ] - [ 0.0000531600000000, 0.0001403500000000, -0.0000246500000000 ] - [ -0.0001302900000000, 0.0000748000000000, -0.0001741300000000 ] - [ -0.0002536300000000, -0.0000465800000000, -0.0002412000000000 ] - [ 0.0000690200000000, 0.0001662600000000, -0.0000257500000000 ] - [ -0.0002044700000000, -0.0000367800000000, 0.0001154900000000 ] - [ 0.0008185200000000, -0.0001534100000000, 0.0002701700000000 ] - [ -0.0001592400000000, 0.0000883500000000, -0.0005080700000000 ] - [ -0.0000299400000000, 0.0000844400000000, 0.0000042100000000 ] - [ -0.0000063500000000, -0.0007120500000000, -0.0003718200000000 ] - [ -0.0005942400000000, 0.0054187700000000, -0.0109018100000000 ] - [ 0.0003314600000000, -0.0001898100000000, 0.0007450600000000 ] - [ 0.0000203400000000, 0.0005918800000000, 0.0005750800000000 ] - [ -0.0161636500000000, -0.0171535100000000, -0.0396768100000000 ] - [ 0.0006014200000000, 0.0015235200000000, 0.0006543100000000 ] - [ -0.0001179200000000, 0.0001815400000000, 0.0001047600000000 ] - [ -0.0001071800000000, 0.0005355800000000, 0.0000735900000000 ] - [ -0.0003344200000000, -0.0007879500000000, 0.0004231500000000 ] - [ -0.0000503000000000, -0.0012209800000000, -0.0003530100000000 ] - [ 0.0001065100000000, 0.0000203800000000, 0.0000386300000000 ] - [ -0.0000415600000000, 0.0000461700000000, 0.0001606400000000 ] - [ -0.0000462000000000, -0.0000299200000000, 0.0000193200000000 ] - [ -0.0000171800000000, -0.0001823300000000, 0.0000666600000000 ] - [ 0.0000056200000000, 0.0000870700000000, -0.0000335000000000 ] - [ 0.0002647800000000, 0.0000290400000000, 0.0000406000000000 ] - [ 0.0000673900000000, 0.0000232400000000, 0.0001866100000000 ]- atom: 23 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000259000000000, 0.0000123900000000, -0.0000585300000000 ] - [ 0.0000345200000000, 0.0000192600000000, -0.0000762700000000 ] - [ -0.0001190700000000, 0.0000894700000000, 0.0000431800000000 ] - [ -0.0000031600000000, -0.0004614400000000, -0.0003061400000000 ] - [ 0.0001278600000000, -0.0002685000000000, 0.0000871400000000 ] - [ 0.0000894400000000, 0.0002025100000000, -0.0000522500000000 ] - [ -0.0000306700000000, -0.0001048500000000, 0.0000450000000000 ] - [ -0.0000409600000000, 0.0000251400000000, -0.0000449400000000 ] - [ 0.0000862100000000, -0.0003936500000000, -0.0000385200000000 ] - [ 0.0000728100000000, 0.0002853700000000, -0.0000585200000000 ] - [ 0.0030156700000000, -0.0014537100000000, 0.0006398800000000 ] - [ 0.0000620900000000, 0.0001728300000000, 0.0000766000000000 ] - [ -0.0000101900000000, -0.0000685800000000, 0.0001501800000000 ] - [ 0.0010721900000000, -0.0009144800000000, -0.0001221300000000 ] - [ 0.0000611400000000, -0.0001739400000000, 0.0000693700000000 ] - [ 0.0000194400000000, 0.0002009900000000, 0.0000706800000000 ] - [ 0.0003183000000000, 0.0034216500000000, 0.0012740100000000 ] - [ -0.0000538900000000, 0.0001884800000000, 0.0000675500000000 ] - [ 0.0000341400000000, -0.0000280900000000, 0.0002526500000000 ] - [ -0.0010978600000000, 0.0012864300000000, 0.0005916400000000 ] - [ -0.0002957700000000, -0.0000513700000000, 0.0000106200000000 ] - [ -0.0000816900000000, -0.0000518000000000, 0.0000685700000000 ] - [ -0.0628993600000000, 0.0243065400000000, 0.0118443100000000 ] - [ -0.0002226600000000, 0.0002069800000000, 0.0000233200000000 ] - [ -0.0001396400000000, -0.0001483300000000, -0.0000693800000000 ] - [ -0.0003088400000000, 0.0005756600000000, -0.0012600300000000 ] - [ -0.0002578800000000, -0.0010602500000000, -0.0021643700000000 ] - [ -0.0001051100000000, 0.0000916300000000, -0.0000801600000000 ] - [ 0.0000471000000000, 0.0000161500000000, -0.0001868900000000 ] - [ 0.0000309100000000, -0.0001067800000000, -0.0000462300000000 ] - [ -0.0001346400000000, -0.0001092100000000, -0.0000050900000000 ] - [ -0.0000510900000000, 0.0000508200000000, 0.0000369700000000 ] - [ 0.0001795200000000, -0.0001838700000000, 0.0000117800000000 ] - [ -0.0000122100000000, -0.0001382700000000, -0.0000781600000000 ] - [ -0.0000210300000000, 0.0002219900000000, -0.0000043600000000 ] - [ 0.0041765100000000, -0.0009691800000000, 0.0030293200000000 ] - [ 0.0057035900000000, -0.0010865300000000, -0.0017259600000000 ] - [ -0.0000362200000000, 0.0000282600000000, -0.0001096700000000 ] - [ -0.0000842500000000, -0.0000245000000000, -0.0000625300000000 ] - [ -0.0001314300000000, -0.0000416300000000, 0.0000567700000000 ] - [ 0.0001047900000000, -0.0000627400000000, -0.0001053900000000 ] - [ 0.0000583500000000, 0.0000852400000000, -0.0000417900000000 ] - [ 0.0003818900000000, -0.0000503500000000, 0.0000665000000000 ] - [ 0.0003141600000000, 0.0000423800000000, 0.0000278500000000 ] - [ 0.0000768700000000, -0.0000326300000000, -0.0001023800000000 ] - [ 0.0000385700000000, -0.0000470600000000, -0.0001042800000000 ] - [ 0.0003279300000000, 0.0003632000000000, -0.0001096900000000 ] - [ 0.0000792000000000, -0.0002001300000000, -0.0000751200000000 ] - [ 0.0003595100000000, -0.0000660300000000, 0.0000326200000000 ] - [ 0.0002812100000000, 0.0001087300000000, -0.0001344600000000 ] - [ 0.0001452100000000, 0.0000092800000000, 0.0001269900000000 ] - [ 0.0012900200000000, 0.0008855300000000, -0.0009932000000000 ] - [ -0.0001822200000000, -0.0000506700000000, 0.0000394000000000 ] - [ -0.0002379200000000, -0.0000203600000000, 0.0001416800000000 ] - [ -0.0000177400000000, -0.0000439500000000, 0.0001027600000000 ] - [ 0.0012549300000000, 0.0010363200000000, -0.0004805400000000 ] - [ 0.0000957000000000, -0.0000441500000000, -0.0000283600000000 ] - [ 0.0002318300000000, -0.0000505000000000, -0.0000858600000000 ] - [ -0.0000160700000000, 0.0000981200000000, -0.0000165900000000 ] - [ 0.0000312600000000, -0.0001318700000000, 0.0000479400000000 ] - [ 0.0000320900000000, -0.0000791000000000, -0.0000644800000000 ] - [ -0.0000040400000000, 0.0002515400000000, -0.0001933500000000 ] - [ -0.0001698700000000, -0.0002865300000000, 0.0001842000000000 ] - [ -0.0003233500000000, -0.0000865700000000, -0.0002776100000000 ] - [ -0.0002441500000000, 0.0000516100000000, -0.0001470100000000 ] - [ -0.0010225200000000, 0.0000788500000000, 0.0001423000000000 ] - [ -0.0003605300000000, 0.0006899600000000, -0.0003558700000000 ] - [ -0.0001475900000000, -0.0003095100000000, 0.0004905600000000 ] - [ 0.0001722900000000, 0.0000282800000000, -0.0001283500000000 ] - [ 0.0000161500000000, 0.0004119100000000, -0.0001634100000000 ] - [ 0.0000682700000000, 0.0000724100000000, -0.0001601200000000 ] - [ 0.0095518400000000, -0.0024381300000000, -0.0018428300000000 ] - [ 0.0011606500000000, -0.0009512800000000, 0.0005432500000000 ] - [ 0.0001136500000000, 0.0001398100000000, 0.0000484600000000 ] - [ 0.0001706000000000, 0.0001067700000000, -0.0000900800000000 ] - [ -0.0006117400000000, 0.0018489500000000, -0.0005335700000000 ] - [ 0.0384659000000000, -0.0226800400000000, -0.0091637400000000 ] - [ 0.0000211300000000, -0.0000099800000000, 0.0001658900000000 ] - [ 0.0002775500000000, 0.0000167200000000, 0.0001886100000000 ] - [ 0.0006506200000000, -0.0009819300000000, 0.0007987900000000 ] - [ -0.0004568300000000, -0.0013088000000000, 0.0001867200000000 ] - [ 0.0000315500000000, 0.0000559600000000, -0.0000572300000000 ] - [ -0.0002484800000000, 0.0000029500000000, 0.0000945100000000 ] - [ -0.0004123200000000, -0.0002642500000000, -0.0001188300000000 ] - [ -0.0000680300000000, -0.0001213700000000, 0.0001136000000000 ] - [ -0.0001838100000000, 0.0001540800000000, 0.0000991200000000 ] - [ -0.0000865700000000, 0.0001689900000000, -0.0000302800000000 ] - [ -0.0000296800000000, 0.0000467100000000, 0.0000632300000000 ]- atom: 23 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0001153000000000, -0.0000319800000000, -0.0000776000000000 ] - [ 0.0001063400000000, 0.0000005700000000, -0.0000600700000000 ] - [ -0.0001385300000000, 0.0000824000000000, 0.0000264300000000 ] - [ -0.0002435700000000, 0.0002933000000000, 0.0003779500000000 ] - [ -0.0000051900000000, -0.0000698100000000, -0.0001121900000000 ] - [ 0.0000327400000000, 0.0001362200000000, 0.0000255900000000 ] - [ -0.0001471500000000, -0.0000629200000000, -0.0000323500000000 ] - [ -0.0001370400000000, 0.0001412000000000, 0.0000560000000000 ] - [ 0.0000518900000000, -0.0001832500000000, -0.0000820000000000 ] - [ 0.0000656300000000, 0.0002907400000000, -0.0000624100000000 ] - [ -0.0028760600000000, 0.0011533200000000, -0.0003644000000000 ] - [ -0.0000125800000000, 0.0000969800000000, 0.0001723300000000 ] - [ -0.0000988300000000, -0.0001037200000000, 0.0001519500000000 ] - [ -0.0011705900000000, 0.0010702900000000, 0.0004144300000000 ] - [ 0.0000089100000000, -0.0001849000000000, 0.0001035000000000 ] - [ 0.0000516300000000, 0.0001581700000000, 0.0001019300000000 ] - [ -0.0003415000000000, -0.0038059100000000, -0.0011278400000000 ] - [ 0.0000282900000000, 0.0002174600000000, 0.0000701900000000 ] - [ 0.0000987400000000, 0.0000229700000000, 0.0002327100000000 ] - [ 0.0012202900000000, -0.0013274500000000, -0.0000868000000000 ] - [ 0.0001264700000000, 0.0000782100000000, 0.0001346000000000 ] - [ -0.0000880600000000, 0.0000271800000000, 0.0000774300000000 ] - [ 0.0642184100000000, -0.0258095800000000, -0.0123993600000000 ] - [ -0.0001733500000000, 0.0001988200000000, 0.0000139000000000 ] - [ 0.0001115800000000, -0.0000085400000000, -0.0002043600000000 ] - [ 0.0002851800000000, -0.0004365100000000, 0.0010182700000000 ] - [ 0.0001039200000000, 0.0008235700000000, 0.0022458800000000 ] - [ -0.0000594300000000, 0.0001383300000000, 0.0001468200000000 ] - [ 0.0000820700000000, 0.0000735600000000, -0.0001249600000000 ] - [ 0.0000993200000000, 0.0000171700000000, -0.0002667400000000 ] - [ 0.0000732600000000, -0.0000612800000000, 0.0000423300000000 ] - [ -0.0000106700000000, 0.0001191900000000, 0.0000001400000000 ] - [ -0.0001878700000000, 0.0003991200000000, -0.0001360700000000 ] - [ 0.0000036600000000, -0.0000766300000000, -0.0000445400000000 ] - [ 0.0001168000000000, 0.0000437900000000, 0.0001326200000000 ] - [ -0.0041844000000000, 0.0007111400000000, -0.0029635100000000 ] - [ -0.0058220400000000, 0.0010990500000000, 0.0015014700000000 ] - [ -0.0000323000000000, -0.0000206900000000, -0.0001146800000000 ] - [ -0.0000508300000000, -0.0000370400000000, -0.0000027900000000 ] - [ -0.0000022500000000, 0.0001030200000000, -0.0001244000000000 ] - [ -0.0001805800000000, -0.0000132500000000, 0.0000719100000000 ] - [ -0.0001341000000000, -0.0000088000000000, 0.0000082800000000 ] - [ 0.0001241600000000, -0.0000209000000000, -0.0000607500000000 ] - [ 0.0001925700000000, 0.0000292300000000, -0.0000220200000000 ] - [ -0.0000701400000000, 0.0001301200000000, -0.0000537100000000 ] - [ -0.0000318600000000, -0.0000498800000000, -0.0000515100000000 ] - [ -0.0002389500000000, 0.0000511400000000, -0.0000183200000000 ] - [ 0.0000105100000000, -0.0002165700000000, -0.0000536200000000 ] - [ -0.0000714600000000, -0.0001384000000000, -0.0001072600000000 ] - [ 0.0000058100000000, 0.0000957300000000, 0.0000572000000000 ] - [ 0.0001705200000000, -0.0000325100000000, 0.0000342100000000 ] - [ -0.0009527500000000, -0.0008471200000000, 0.0011333400000000 ] - [ -0.0000931500000000, -0.0000181300000000, 0.0001846700000000 ] - [ -0.0000362700000000, 0.0000887700000000, 0.0000816500000000 ] - [ -0.0000939300000000, -0.0000609600000000, -0.0000917300000000 ] - [ -0.0013924100000000, -0.0009492300000000, 0.0005025400000000 ] - [ 0.0000445100000000, -0.0000218400000000, 0.0000111300000000 ] - [ -0.0000933400000000, 0.0001172300000000, 0.0000700100000000 ] - [ -0.0000872000000000, 0.0002067300000000, 0.0002508300000000 ] - [ -0.0001346800000000, -0.0001734500000000, 0.0001861000000000 ] - [ 0.0001366000000000, -0.0002335100000000, -0.0001497300000000 ] - [ 0.0001730500000000, 0.0000593600000000, -0.0000191300000000 ] - [ 0.0001301100000000, 0.0000882400000000, -0.0003301300000000 ] - [ 0.0002851500000000, 0.0002907400000000, 0.0001348900000000 ] - [ -0.0000917100000000, 0.0001647800000000, -0.0002346700000000 ] - [ 0.0006923000000000, -0.0002905400000000, -0.0005229100000000 ] - [ 0.0001730500000000, -0.0005247700000000, 0.0003233000000000 ] - [ -0.0000391900000000, 0.0001471500000000, -0.0005130600000000 ] - [ -0.0000986800000000, 0.0001147600000000, 0.0000013900000000 ] - [ 0.0000568600000000, -0.0005571300000000, 0.0000358700000000 ] - [ -0.0000329400000000, -0.0000366800000000, 0.0000944500000000 ] - [ -0.0094998500000000, 0.0024101300000000, 0.0017468900000000 ] - [ -0.0009528700000000, 0.0009185400000000, -0.0005241700000000 ] - [ 0.0000865500000000, -0.0001150700000000, -0.0000176100000000 ] - [ 0.0001499400000000, -0.0000478800000000, -0.0001038200000000 ] - [ 0.0009200400000000, -0.0019024200000000, 0.0003470800000000 ] - [ -0.0403931900000000, 0.0235348000000000, 0.0098768200000000 ] - [ -0.0002186700000000, 0.0002685300000000, -0.0000672600000000 ] - [ -0.0002694200000000, 0.0001430300000000, -0.0001225300000000 ] - [ -0.0006459300000000, 0.0008271500000000, -0.0007396000000000 ] - [ 0.0005987000000000, 0.0012457200000000, -0.0002878500000000 ] - [ 0.0001270900000000, 0.0000412400000000, -0.0000452500000000 ] - [ 0.0000439200000000, 0.0000609100000000, -0.0000417400000000 ] - [ 0.0002060200000000, 0.0001990700000000, 0.0001718700000000 ] - [ 0.0000073200000000, -0.0000730800000000, -0.0000346000000000 ] - [ 0.0001245000000000, 0.0000407200000000, -0.0000220200000000 ] - [ 0.0001166400000000, -0.0002062400000000, 0.0001722600000000 ] - [ 0.0000591800000000, -0.0000110100000000, 0.0000789600000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001104800000000, -0.0000985100000000, -0.0000554100000000 ] - [ 0.0000749900000000, 0.0000152200000000, -0.0000615200000000 ] - [ -0.0001512300000000, 0.0000404900000000, 0.0000656700000000 ] - [ -0.0006171600000000, 0.0006481000000000, -0.0001497700000000 ] - [ 0.0000051800000000, -0.0000253500000000, -0.0001118200000000 ] - [ 0.0000851300000000, 0.0001478600000000, -0.0000888600000000 ] - [ -0.0000621000000000, -0.0000985400000000, 0.0000555000000000 ] - [ -0.0000935100000000, 0.0002186200000000, 0.0001296800000000 ] - [ 0.0001829100000000, 0.0000837600000000, -0.0000779400000000 ] - [ 0.0000703400000000, 0.0003427400000000, -0.0000539900000000 ] - [ -0.0010968000000000, 0.0005327000000000, 0.0002215100000000 ] - [ -0.0000097900000000, 0.0000328100000000, 0.0001425500000000 ] - [ -0.0000535100000000, -0.0001256400000000, 0.0001804200000000 ] - [ -0.0015724000000000, 0.0011984000000000, 0.0004914000000000 ] - [ -0.0001195900000000, -0.0001629700000000, 0.0001873200000000 ] - [ 0.0001708200000000, 0.0001608000000000, -0.0000000400000000 ] - [ 0.0006923600000000, 0.0023158100000000, 0.0022912200000000 ] - [ -0.0000785900000000, 0.0002341000000000, 0.0000003900000000 ] - [ 0.0000677500000000, 0.0000880900000000, 0.0002324600000000 ] - [ 0.0041399300000000, 0.0058288300000000, -0.0031099900000000 ] - [ -0.0001100200000000, 0.0001355200000000, 0.0001926700000000 ] - [ -0.0001538800000000, 0.0001746000000000, 0.0000387200000000 ] - [ 0.0249109600000000, -0.0866046600000000, 0.0101268700000000 ] - [ -0.0002029500000000, 0.0001169000000000, -0.0000146600000000 ] - [ 0.0001453800000000, 0.0002586900000000, -0.0007986700000000 ] - [ -0.0007650500000000, -0.0003239500000000, -0.0020822500000000 ] - [ 0.0003351700000000, 0.0001785400000000, 0.0009510300000000 ] - [ -0.0000505200000000, 0.0001733900000000, 0.0002560400000000 ] - [ 0.0000871800000000, 0.0001603900000000, -0.0001340100000000 ] - [ -0.0000343200000000, -0.0000942000000000, -0.0002320700000000 ] - [ -0.0000682100000000, 0.0000490100000000, 0.0001806000000000 ] - [ 0.0000182900000000, 0.0001889100000000, -0.0000595400000000 ] - [ -0.0003238900000000, 0.0007603100000000, -0.0001826300000000 ] - [ 0.0000219400000000, 0.0000091700000000, -0.0000336000000000 ] - [ 0.0001219800000000, 0.0000085600000000, 0.0000258700000000 ] - [ 0.0011115200000000, -0.0011853900000000, -0.0000604800000000 ] - [ -0.0048242100000000, -0.0010557400000000, 0.0022599600000000 ] - [ -0.0000113200000000, -0.0000109200000000, -0.0001055900000000 ] - [ 0.0000090900000000, 0.0000368500000000, -0.0000485500000000 ] - [ -0.0001313900000000, -0.0000309800000000, -0.0001408000000000 ] - [ -0.0001268200000000, -0.0000315200000000, 0.0000662500000000 ] - [ -0.0000312100000000, 0.0000526100000000, 0.0000105100000000 ] - [ 0.0002383800000000, 0.0001035100000000, -0.0000362800000000 ] - [ 0.0002198900000000, 0.0000409700000000, -0.0000249800000000 ] - [ -0.0000924300000000, 0.0002123700000000, -0.0000437500000000 ] - [ 0.0000217600000000, 0.0000111300000000, -0.0000642200000000 ] - [ -0.0000680800000000, 0.0000447600000000, -0.0000078400000000 ] - [ 0.0000535300000000, -0.0002995500000000, -0.0000674300000000 ] - [ 0.0001883900000000, -0.0000804900000000, -0.0000906800000000 ] - [ 0.0001535500000000, 0.0000479500000000, 0.0000047300000000 ] - [ 0.0001145300000000, -0.0001078800000000, 0.0000077000000000 ] - [ 0.0008522800000000, -0.0005637600000000, 0.0000394100000000 ] - [ -0.0000998100000000, 0.0001161800000000, 0.0002708600000000 ] - [ 0.0000279200000000, 0.0003585100000000, -0.0000092100000000 ] - [ -0.0000802600000000, -0.0001987800000000, -0.0000921700000000 ] - [ 0.0011107100000000, -0.0001230300000000, -0.0002024900000000 ] - [ 0.0000858600000000, 0.0000388600000000, 0.0000203600000000 ] - [ -0.0000821900000000, 0.0001432200000000, 0.0000584000000000 ] - [ -0.0001109700000000, 0.0002102900000000, 0.0002639600000000 ] - [ -0.0001215700000000, -0.0001830100000000, 0.0002187300000000 ] - [ 0.0001185800000000, -0.0003653700000000, -0.0001684500000000 ] - [ 0.0002288400000000, -0.0000419800000000, 0.0000201300000000 ] - [ -0.0000149800000000, 0.0003520600000000, -0.0002543000000000 ] - [ -0.0000365600000000, 0.0002042200000000, -0.0001608700000000 ] - [ -0.0001066300000000, 0.0003632500000000, -0.0002578100000000 ] - [ 0.0007597600000000, 0.0003057700000000, -0.0006930200000000 ] - [ 0.0003032900000000, -0.0005268400000000, 0.0002949200000000 ] - [ -0.0002112000000000, 0.0001437400000000, -0.0000770700000000 ] - [ -0.0001080100000000, 0.0000537600000000, -0.0000100400000000 ] - [ 0.0002032100000000, -0.0010219900000000, -0.0000060300000000 ] - [ 0.0002562600000000, -0.0000389600000000, 0.0004036000000000 ] - [ -0.0003840900000000, 0.0482007700000000, -0.0128173400000000 ] - [ -0.0003175500000000, 0.0018409600000000, 0.0003209000000000 ] - [ 0.0002289100000000, -0.0004235200000000, 0.0000335000000000 ] - [ 0.0002476300000000, -0.0003211900000000, -0.0001148500000000 ] - [ 0.0000878800000000, -0.0014423900000000, 0.0001168400000000 ] - [ -0.0241494500000000, 0.0287688800000000, 0.0030166300000000 ] - [ -0.0002657300000000, 0.0005109200000000, -0.0002169400000000 ] - [ -0.0004111900000000, -0.0002416800000000, 0.0003942100000000 ] - [ -0.0010726000000000, 0.0021735000000000, -0.0002884100000000 ] - [ 0.0011014800000000, -0.0019280500000000, -0.0000733500000000 ] - [ 0.0000505200000000, -0.0000248000000000, -0.0000377500000000 ] - [ -0.0000133900000000, 0.0001122200000000, -0.0000441100000000 ] - [ -0.0003935000000000, -0.0000178800000000, -0.0002362100000000 ] - [ -0.0000643600000000, -0.0001672000000000, -0.0001082800000000 ] - [ -0.0000034400000000, 0.0000383600000000, -0.0000838300000000 ] - [ -0.0001075200000000, -0.0004498600000000, 0.0001548700000000 ] - [ -0.0000105800000000, -0.0001713200000000, 0.0001435000000000 ]- atom: 23 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000315400000000, 0.0000800200000000, -0.0000817300000000 ] - [ 0.0000670100000000, 0.0000042500000000, -0.0000759100000000 ] - [ -0.0001075200000000, 0.0001326000000000, 0.0000026000000000 ] - [ 0.0003331600000000, -0.0008024500000000, 0.0002153300000000 ] - [ 0.0001169600000000, -0.0003092300000000, 0.0000846600000000 ] - [ 0.0000361900000000, 0.0001854600000000, 0.0000602900000000 ] - [ -0.0001163800000000, -0.0000699900000000, -0.0000422100000000 ] - [ -0.0000835100000000, -0.0000511400000000, -0.0001173500000000 ] - [ -0.0000419300000000, -0.0006607200000000, -0.0000429400000000 ] - [ 0.0000701900000000, 0.0002309300000000, -0.0000676100000000 ] - [ 0.0011486300000000, -0.0008043400000000, 0.0000242600000000 ] - [ 0.0000617600000000, 0.0002404400000000, 0.0001055900000000 ] - [ -0.0000568600000000, -0.0000457400000000, 0.0001230400000000 ] - [ 0.0014928000000000, -0.0010451600000000, -0.0001984800000000 ] - [ 0.0001967400000000, -0.0001945400000000, -0.0000199300000000 ] - [ -0.0000970700000000, 0.0001977100000000, 0.0001687800000000 ] - [ -0.0006961800000000, -0.0026835700000000, -0.0021248000000000 ] - [ 0.0000503500000000, 0.0001712700000000, 0.0001343100000000 ] - [ 0.0000631500000000, -0.0000921300000000, 0.0002557400000000 ] - [ -0.0039618900000000, -0.0057320700000000, 0.0035595000000000 ] - [ -0.0000640900000000, -0.0001197600000000, -0.0000476200000000 ] - [ -0.0000173100000000, -0.0001997300000000, 0.0001057600000000 ] - [ -0.0251747900000000, 0.0838245100000000, -0.0093240500000000 ] - [ -0.0001954900000000, 0.0002889700000000, 0.0000515500000000 ] - [ -0.0001777200000000, -0.0004227000000000, 0.0005373200000000 ] - [ 0.0007365200000000, 0.0004643100000000, 0.0018041500000000 ] - [ -0.0004853600000000, -0.0004180800000000, -0.0009053800000000 ] - [ -0.0001151100000000, 0.0000522700000000, -0.0001965100000000 ] - [ 0.0000443800000000, -0.0000680900000000, -0.0001772600000000 ] - [ 0.0001671700000000, -0.0000039900000000, -0.0000774100000000 ] - [ 0.0000125300000000, -0.0002265500000000, -0.0001466300000000 ] - [ -0.0000784700000000, -0.0000163400000000, 0.0000967800000000 ] - [ 0.0003188800000000, -0.0005430000000000, 0.0000617500000000 ] - [ -0.0000270000000000, -0.0002251300000000, -0.0000870800000000 ] - [ -0.0000248400000000, 0.0002603200000000, 0.0001045200000000 ] - [ -0.0009767900000000, 0.0009158500000000, 0.0002045700000000 ] - [ 0.0047332000000000, 0.0010287100000000, -0.0024661600000000 ] - [ -0.0000580000000000, 0.0000190300000000, -0.0001207300000000 ] - [ -0.0001457100000000, -0.0000964500000000, -0.0000126100000000 ] - [ -0.0000019300000000, 0.0000881400000000, 0.0000786600000000 ] - [ 0.0000520900000000, -0.0000428100000000, -0.0000965800000000 ] - [ -0.0000437000000000, 0.0000229900000000, -0.0000419800000000 ] - [ 0.0002688900000000, -0.0001755100000000, 0.0000413200000000 ] - [ 0.0002877800000000, 0.0000295400000000, 0.0000297300000000 ] - [ 0.0000963300000000, -0.0001164000000000, -0.0001108800000000 ] - [ -0.0000188000000000, -0.0001085000000000, -0.0000900200000000 ] - [ 0.0001545100000000, 0.0003710800000000, -0.0001193200000000 ] - [ 0.0000302500000000, -0.0001120100000000, -0.0000579800000000 ] - [ 0.0000941200000000, -0.0001262700000000, 0.0000160200000000 ] - [ 0.0001296300000000, 0.0001590800000000, -0.0000799400000000 ] - [ 0.0002034000000000, 0.0000842400000000, 0.0001553200000000 ] - [ -0.0005290400000000, 0.0005823100000000, 0.0001237500000000 ] - [ -0.0001780900000000, -0.0001899800000000, -0.0000488600000000 ] - [ -0.0003058100000000, -0.0002884300000000, 0.0002355900000000 ] - [ -0.0000293600000000, 0.0000982700000000, 0.0001038900000000 ] - [ -0.0012304000000000, 0.0002219600000000, 0.0002157700000000 ] - [ 0.0000511100000000, -0.0001035300000000, -0.0000402000000000 ] - [ 0.0002221300000000, -0.0000826100000000, -0.0000774900000000 ] - [ 0.0000053300000000, 0.0000962900000000, -0.0000309200000000 ] - [ 0.0000171800000000, -0.0001232000000000, 0.0000126700000000 ] - [ 0.0000512500000000, 0.0000573300000000, -0.0000439000000000 ] - [ -0.0000592100000000, 0.0003546900000000, -0.0002328800000000 ] - [ -0.0000258500000000, -0.0005533600000000, 0.0001065300000000 ] - [ -0.0000072700000000, -0.0000062100000000, 0.0000136500000000 ] - [ -0.0002295500000000, -0.0001470100000000, -0.0001214000000000 ] - [ -0.0011054500000000, -0.0005334600000000, 0.0003151200000000 ] - [ -0.0004971000000000, 0.0006856500000000, -0.0003315700000000 ] - [ 0.0000222800000000, -0.0002983500000000, 0.0000398700000000 ] - [ 0.0001791400000000, 0.0000890200000000, -0.0001112200000000 ] - [ -0.0001398800000000, 0.0008877200000000, -0.0001180700000000 ] - [ -0.0002296400000000, 0.0000733800000000, -0.0004759700000000 ] - [ 0.0007252900000000, -0.0462073200000000, 0.0119057600000000 ] - [ 0.0005069100000000, -0.0018187300000000, -0.0002604600000000 ] - [ -0.0000323100000000, 0.0004579900000000, -0.0000026300000000 ] - [ 0.0000717800000000, 0.0003841400000000, -0.0000751400000000 ] - [ 0.0002293200000000, 0.0013934000000000, -0.0003147900000000 ] - [ 0.0234391500000000, -0.0287957500000000, -0.0028365300000000 ] - [ 0.0000764400000000, -0.0002627700000000, 0.0003220000000000 ] - [ 0.0004272000000000, 0.0004033500000000, -0.0003334300000000 ] - [ 0.0010645300000000, -0.0023167900000000, 0.0003460900000000 ] - [ -0.0009362200000000, 0.0018172500000000, -0.0000360600000000 ] - [ 0.0001094900000000, 0.0001246100000000, -0.0000665600000000 ] - [ -0.0001910600000000, -0.0000510300000000, 0.0000950200000000 ] - [ 0.0001931400000000, -0.0000450100000000, 0.0002926800000000 ] - [ -0.0000022300000000, -0.0000272300000000, 0.0001886200000000 ] - [ -0.0000617700000000, 0.0001565200000000, 0.0001636300000000 ] - [ 0.0001313200000000, 0.0004180700000000, -0.0000143300000000 ] - [ 0.0000355300000000, 0.0002094500000000, -0.0000006800000000 ]- atom: 23 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000704700000000, -0.0000003800000000, -0.0000743500000000 ] - [ 0.0000848800000000, 0.0000061000000000, -0.0000826500000000 ] - [ -0.0001220900000000, 0.0000970500000000, 0.0000059600000000 ] - [ -0.0004429600000000, -0.0003724600000000, -0.0005983400000000 ] - [ 0.0000654500000000, -0.0001770000000000, -0.0000161100000000 ] - [ 0.0000336500000000, 0.0001603900000000, 0.0000378400000000 ] - [ -0.0000748100000000, -0.0001026200000000, 0.0000498200000000 ] - [ -0.0001107500000000, 0.0000815100000000, -0.0000107500000000 ] - [ 0.0000489100000000, -0.0003016200000000, -0.0000556200000000 ] - [ 0.0000643500000000, 0.0002829600000000, -0.0000482200000000 ] - [ 0.0009085300000000, -0.0003441600000000, 0.0001877300000000 ] - [ 0.0000096600000000, 0.0001342500000000, 0.0001643700000000 ] - [ 0.0000010600000000, -0.0000658400000000, 0.0001866400000000 ] - [ -0.0007505400000000, 0.0008152500000000, 0.0005774100000000 ] - [ 0.0000619800000000, -0.0001629000000000, 0.0000687500000000 ] - [ -0.0000679600000000, 0.0001719300000000, 0.0001938500000000 ] - [ -0.0003767800000000, 0.0015559400000000, -0.0001328800000000 ] - [ 0.0000355500000000, 0.0002003000000000, 0.0001179200000000 ] - [ 0.0000718600000000, -0.0000140900000000, 0.0002516600000000 ] - [ -0.0003964100000000, -0.0020361000000000, 0.0016382500000000 ] - [ -0.0001444700000000, 0.0001223700000000, -0.0000073200000000 ] - [ -0.0000712400000000, -0.0000279100000000, 0.0000973200000000 ] - [ 0.0119168600000000, 0.0094160600000000, -0.0246917300000000 ] - [ -0.0001925100000000, 0.0002369600000000, 0.0000489700000000 ] - [ -0.0000609900000000, -0.0003138200000000, 0.0003714700000000 ] - [ 0.0018374700000000, -0.0032071400000000, 0.0034070700000000 ] - [ -0.0018877600000000, 0.0032545500000000, 0.0024089200000000 ] - [ -0.0000882500000000, 0.0001055300000000, 0.0000765800000000 ] - [ 0.0000594600000000, 0.0000235900000000, -0.0001471300000000 ] - [ 0.0002015200000000, -0.0001344100000000, -0.0002230300000000 ] - [ -0.0000461300000000, 0.0000475300000000, -0.0000758900000000 ] - [ -0.0000357800000000, 0.0000708800000000, 0.0000430900000000 ] - [ 0.0000264500000000, 0.0000833000000000, 0.0000060600000000 ] - [ -0.0000124700000000, -0.0001178100000000, -0.0000559200000000 ] - [ 0.0000785900000000, 0.0000858800000000, 0.0001354600000000 ] - [ 0.0014214300000000, -0.0013802100000000, 0.0004371300000000 ] - [ -0.0010858200000000, 0.0009854900000000, 0.0005284300000000 ] - [ -0.0000488900000000, 0.0000198800000000, -0.0000845700000000 ] - [ -0.0000950900000000, -0.0000607200000000, -0.0000175000000000 ] - [ -0.0000094800000000, -0.0000662600000000, -0.0000515800000000 ] - [ -0.0000935500000000, -0.0000197200000000, 0.0000361900000000 ] - [ -0.0000385500000000, 0.0000473400000000, -0.0000309500000000 ] - [ 0.0002061100000000, -0.0000599200000000, -0.0000164600000000 ] - [ 0.0002507400000000, 0.0000345600000000, 0.0000132100000000 ] - [ 0.0000089600000000, 0.0000395700000000, -0.0000874400000000 ] - [ -0.0000099800000000, -0.0000576600000000, -0.0000602000000000 ] - [ 0.0000555800000000, 0.0002652800000000, -0.0000966000000000 ] - [ 0.0000446700000000, -0.0001995600000000, -0.0000450500000000 ] - [ 0.0000739600000000, -0.0001266700000000, -0.0000607600000000 ] - [ 0.0001131400000000, 0.0000892600000000, 0.0000274800000000 ] - [ 0.0001732400000000, 0.0000006700000000, 0.0000814300000000 ] - [ -0.0005514100000000, -0.0002183800000000, 0.0006151700000000 ] - [ -0.0001324500000000, -0.0000141900000000, 0.0001171300000000 ] - [ -0.0001450000000000, -0.0000429600000000, 0.0001578300000000 ] - [ -0.0000412900000000, -0.0000590200000000, 0.0000581700000000 ] - [ -0.0008786400000000, -0.0003394000000000, 0.0002291600000000 ] - [ 0.0000583000000000, -0.0000476600000000, -0.0000058700000000 ] - [ 0.0000702400000000, 0.0000435500000000, 0.0000135700000000 ] - [ -0.0000693500000000, 0.0001626100000000, 0.0001474200000000 ] - [ -0.0000521500000000, -0.0001424200000000, 0.0001038700000000 ] - [ 0.0000991800000000, -0.0001453500000000, -0.0001115600000000 ] - [ 0.0000689500000000, 0.0001803400000000, -0.0001103600000000 ] - [ 0.0000696100000000, -0.0000896600000000, -0.0001259700000000 ] - [ -0.0000671000000000, 0.0000226200000000, -0.0001194400000000 ] - [ -0.0002240100000000, 0.0000977600000000, -0.0002521400000000 ] - [ -0.0001157200000000, -0.0003042300000000, -0.0000483100000000 ] - [ -0.0001199800000000, 0.0001299600000000, 0.0000001700000000 ] - [ 0.0000245600000000, -0.0000488600000000, -0.0002235100000000 ] - [ 0.0000047100000000, 0.0000737200000000, -0.0002115800000000 ] - [ 0.0000240600000000, -0.0000745200000000, -0.0000157400000000 ] - [ -0.0001008900000000, 0.0000218000000000, -0.0001855800000000 ] - [ -0.0023558200000000, -0.0116288000000000, 0.0077784100000000 ] - [ 0.0008770800000000, -0.0003710700000000, 0.0013385000000000 ] - [ 0.0000791600000000, -0.0000129200000000, -0.0000558900000000 ] - [ 0.0001618200000000, 0.0000406400000000, -0.0001087800000000 ] - [ 0.0002660000000000, -0.0005604300000000, -0.0007518700000000 ] - [ -0.0085967800000000, 0.0024880000000000, 0.0066092900000000 ] - [ -0.0001466400000000, 0.0000647300000000, -0.0001154800000000 ] - [ 0.0000990300000000, 0.0002681200000000, -0.0001061900000000 ] - [ 0.0003084300000000, 0.0005266100000000, 0.0015603900000000 ] - [ -0.0003921000000000, 0.0007419600000000, -0.0009035000000000 ] - [ 0.0001060500000000, 0.0000496000000000, -0.0000543800000000 ] - [ -0.0001210300000000, 0.0000663800000000, -0.0000618300000000 ] - [ 0.0000924900000000, -0.0000092100000000, 0.0002107800000000 ] - [ -0.0000427700000000, -0.0000915100000000, 0.0000491400000000 ] - [ -0.0000024400000000, 0.0000822700000000, 0.0000227700000000 ] - [ 0.0000501100000000, 0.0000035700000000, 0.0000783700000000 ] - [ 0.0000345600000000, 0.0000509500000000, 0.0000498600000000 ]- atom: 23 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000679100000000, -0.0000201000000000, -0.0000612000000000 ] - [ 0.0000543700000000, 0.0000139400000000, -0.0000523800000000 ] - [ -0.0001347300000000, 0.0000749000000000, 0.0000644200000000 ] - [ 0.0001856800000000, 0.0002004500000000, 0.0006718000000000 ] - [ 0.0000566400000000, -0.0001650800000000, -0.0000070600000000 ] - [ 0.0000877000000000, 0.0001817300000000, -0.0000611100000000 ] - [ -0.0001030000000000, -0.0000639700000000, -0.0000392700000000 ] - [ -0.0000675300000000, 0.0000834800000000, 0.0000198000000000 ] - [ 0.0000867700000000, -0.0002784100000000, -0.0000647800000000 ] - [ 0.0000722100000000, 0.0002939700000000, -0.0000726500000000 ] - [ -0.0008551600000000, 0.0000730200000000, 0.0000576700000000 ] - [ 0.0000373100000000, 0.0001336000000000, 0.0000856000000000 ] - [ -0.0001098300000000, -0.0001071600000000, 0.0001136900000000 ] - [ 0.0006543700000000, -0.0006563500000000, -0.0002820000000000 ] - [ 0.0000104600000000, -0.0001968300000000, 0.0001054300000000 ] - [ 0.0001404600000000, 0.0001875600000000, -0.0000204200000000 ] - [ 0.0003657200000000, -0.0019582800000000, 0.0002667100000000 ] - [ -0.0000564000000000, 0.0002058700000000, 0.0000240700000000 ] - [ 0.0000630800000000, 0.0000064700000000, 0.0002308400000000 ] - [ 0.0005048400000000, 0.0020157900000000, -0.0011481300000000 ] - [ -0.0000226700000000, -0.0000945200000000, 0.0001538500000000 ] - [ -0.0000969000000000, 0.0000008100000000, 0.0000494700000000 ] - [ -0.0123651400000000, -0.0100117400000000, 0.0248121800000000 ] - [ -0.0002016000000000, 0.0001700700000000, -0.0000112800000000 ] - [ 0.0000310700000000, 0.0001482700000000, -0.0006308200000000 ] - [ -0.0018828300000000, 0.0034435400000000, -0.0037783600000000 ] - [ 0.0016742900000000, -0.0034315600000000, -0.0022817900000000 ] - [ -0.0000771600000000, 0.0001272200000000, -0.0000102500000000 ] - [ 0.0000667400000000, 0.0000612600000000, -0.0001665200000000 ] - [ -0.0000757200000000, 0.0000490400000000, -0.0000892100000000 ] - [ -0.0000189000000000, -0.0002129000000000, 0.0001131800000000 ] - [ -0.0000296200000000, 0.0000947200000000, -0.0000049900000000 ] - [ -0.0000380400000000, 0.0001317200000000, -0.0001319700000000 ] - [ -0.0000012100000000, -0.0000990700000000, -0.0000692100000000 ] - [ 0.0000131900000000, 0.0001812800000000, -0.0000092600000000 ] - [ -0.0013443500000000, 0.0011122000000000, -0.0003053500000000 ] - [ 0.0010578800000000, -0.0009956900000000, -0.0007608000000000 ] - [ -0.0000222900000000, -0.0000108300000000, -0.0001362400000000 ] - [ -0.0000427900000000, -0.0000039800000000, -0.0000529500000000 ] - [ -0.0001296300000000, 0.0001303800000000, -0.0000213800000000 ] - [ 0.0000171800000000, -0.0000578700000000, -0.0000739500000000 ] - [ -0.0000380900000000, 0.0000311800000000, -0.0000060300000000 ] - [ 0.0002987600000000, -0.0000121500000000, 0.0000238100000000 ] - [ 0.0002550300000000, 0.0000380900000000, -0.0000056000000000 ] - [ 0.0000008700000000, 0.0000570500000000, -0.0000707300000000 ] - [ 0.0000192000000000, -0.0000394100000000, -0.0000978700000000 ] - [ 0.0000394400000000, 0.0001544600000000, -0.0000347300000000 ] - [ 0.0000494800000000, -0.0002207400000000, -0.0000865700000000 ] - [ 0.0002142800000000, -0.0000742500000000, -0.0000137500000000 ] - [ 0.0001750100000000, 0.0001112900000000, -0.0001015000000000 ] - [ 0.0001411900000000, -0.0000217700000000, 0.0000784400000000 ] - [ 0.0008707600000000, 0.0002456200000000, -0.0004599500000000 ] - [ -0.0001404900000000, -0.0000530100000000, 0.0001044300000000 ] - [ -0.0001286200000000, 0.0001093600000000, 0.0000639800000000 ] - [ -0.0000738200000000, -0.0000474400000000, -0.0000433200000000 ] - [ 0.0007557400000000, 0.0004446900000000, -0.0002168800000000 ] - [ 0.0000827400000000, -0.0000209100000000, -0.0000088800000000 ] - [ 0.0000704100000000, 0.0000243800000000, -0.0000283300000000 ] - [ -0.0000323900000000, 0.0001407100000000, 0.0000869200000000 ] - [ -0.0000499200000000, -0.0001611700000000, 0.0001315900000000 ] - [ 0.0000684700000000, -0.0001674700000000, -0.0001027300000000 ] - [ 0.0000987500000000, 0.0001320800000000, -0.0001039600000000 ] - [ -0.0001073400000000, -0.0001128000000000, -0.0000174600000000 ] - [ 0.0000281500000000, 0.0001798700000000, -0.0000267000000000 ] - [ -0.0001190700000000, 0.0001167400000000, -0.0001280500000000 ] - [ -0.0002295900000000, 0.0000884200000000, -0.0003302800000000 ] - [ -0.0000752500000000, 0.0000317200000000, -0.0000314600000000 ] - [ -0.0002180500000000, -0.0001111800000000, 0.0001930300000000 ] - [ 0.0000650400000000, 0.0000685900000000, 0.0000880100000000 ] - [ 0.0000441600000000, -0.0000681800000000, -0.0001083700000000 ] - [ 0.0001333100000000, 0.0000147900000000, 0.0001177400000000 ] - [ 0.0024894000000000, 0.0117464500000000, -0.0078004700000000 ] - [ -0.0006867800000000, 0.0003371200000000, -0.0012974800000000 ] - [ 0.0001214300000000, 0.0000390400000000, 0.0000869100000000 ] - [ 0.0001608400000000, 0.0000183700000000, -0.0000842600000000 ] - [ 0.0000473600000000, 0.0005169700000000, 0.0005576100000000 ] - [ 0.0084030000000000, -0.0028160000000000, -0.0065821800000000 ] - [ -0.0000463900000000, 0.0001935700000000, 0.0002170500000000 ] - [ -0.0000878400000000, -0.0001044500000000, 0.0001682300000000 ] - [ -0.0002888900000000, -0.0006865900000000, -0.0015142900000000 ] - [ 0.0005474500000000, -0.0008246200000000, 0.0008039100000000 ] - [ 0.0000540600000000, 0.0000451800000000, -0.0000463800000000 ] - [ -0.0000809700000000, -0.0000012100000000, 0.0001152100000000 ] - [ -0.0002939500000000, -0.0000570600000000, -0.0001540900000000 ] - [ -0.0000200300000000, -0.0001046700000000, 0.0000286100000000 ] - [ -0.0000590100000000, 0.0001149800000000, 0.0000558700000000 ] - [ -0.0000229800000000, -0.0000393800000000, 0.0000634600000000 ] - [ -0.0000072700000000, -0.0000132200000000, 0.0000920900000000 ]- atom: 25 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000651800000000, 0.0000156800000000, -0.0000410300000000 ] - [ 0.0000206600000000, -0.0000154500000000, -0.0000934900000000 ] - [ -0.0004791800000000, 0.0003124900000000, -0.0002207300000000 ] - [ -0.0001282500000000, -0.0001239800000000, 0.0000541800000000 ] - [ 0.0001359500000000, -0.0002268300000000, -0.0000385000000000 ] - [ 0.0000784500000000, 0.0001896800000000, 0.0000009500000000 ] - [ -0.0000698000000000, -0.0000768900000000, 0.0000081900000000 ] - [ -0.0000327400000000, 0.0000189100000000, -0.0000925200000000 ] - [ 0.0001352000000000, -0.0003173900000000, -0.0000760300000000 ] - [ 0.0001280400000000, 0.0002719200000000, -0.0000372300000000 ] - [ 0.0000891700000000, -0.0002183200000000, 0.0000301500000000 ] - [ 0.0000601200000000, 0.0002235400000000, 0.0001626600000000 ] - [ 0.0000051500000000, 0.0000012700000000, 0.0001948300000000 ] - [ -0.0000303900000000, 0.0001012900000000, 0.0001396100000000 ] - [ 0.0012384500000000, -0.0010148400000000, -0.0011028500000000 ] - [ 0.0000248400000000, 0.0001888900000000, 0.0001027700000000 ] - [ -0.0000668800000000, -0.0001756300000000, 0.0000448600000000 ] - [ -0.0006912800000000, -0.0009155800000000, 0.0018060100000000 ] - [ 0.0006513700000000, -0.0031005100000000, 0.0020734200000000 ] - [ 0.0000548900000000, 0.0000342600000000, 0.0002345100000000 ] - [ -0.0000804000000000, 0.0000806800000000, 0.0000828800000000 ] - [ -0.0002709200000000, 0.0000846600000000, 0.0000683400000000 ] - [ -0.0003230400000000, -0.0000436500000000, -0.0000261300000000 ] - [ -0.0004960200000000, 0.0009523900000000, 0.0018672100000000 ] - [ -0.0672698800000000, -0.0166387000000000, 0.0086320700000000 ] - [ -0.0000480400000000, 0.0000901400000000, -0.0001517100000000 ] - [ -0.0000740700000000, -0.0001982300000000, -0.0001463100000000 ] - [ -0.0001616100000000, 0.0000549500000000, -0.0000963300000000 ] - [ 0.0006407600000000, 0.0026209300000000, 0.0002942100000000 ] - [ 0.0000483400000000, -0.0000173900000000, -0.0001877500000000 ] - [ -0.0000814900000000, 0.0000148700000000, 0.0000842200000000 ] - [ 0.0001088800000000, 0.0002323200000000, -0.0002312600000000 ] - [ -0.0000199700000000, 0.0001500400000000, -0.0000737800000000 ] - [ -0.0001467300000000, -0.0000901300000000, -0.0000426200000000 ] - [ 0.0033076200000000, -0.0017492900000000, -0.0023898300000000 ] - [ -0.0000265500000000, -0.0002114200000000, 0.0000401000000000 ] - [ -0.0000859700000000, -0.0000707800000000, -0.0000886700000000 ] - [ -0.0000862700000000, -0.0000459900000000, -0.0002022500000000 ] - [ 0.0051261700000000, 0.0019059000000000, -0.0007391500000000 ] - [ -0.0000642800000000, 0.0000317500000000, -0.0000393100000000 ] - [ 0.0000551100000000, -0.0000676200000000, -0.0000432400000000 ] - [ 0.0000803200000000, 0.0000658800000000, -0.0000256200000000 ] - [ 0.0003979000000000, -0.0000613500000000, 0.0001034800000000 ] - [ 0.0003235200000000, 0.0000742100000000, 0.0000406000000000 ] - [ 0.0000477900000000, 0.0000302700000000, -0.0001096700000000 ] - [ 0.0001053100000000, 0.0000743400000000, -0.0001215700000000 ] - [ 0.0001550900000000, 0.0002124500000000, -0.0000353900000000 ] - [ 0.0002968600000000, -0.0001741200000000, -0.0000416600000000 ] - [ 0.0003780000000000, -0.0000461400000000, -0.0000620300000000 ] - [ 0.0001858300000000, 0.0000856500000000, -0.0000202000000000 ] - [ 0.0052323600000000, 0.0004481300000000, 0.0019271600000000 ] - [ 0.0001487400000000, 0.0000159700000000, 0.0000833300000000 ] - [ -0.0002069600000000, 0.0000565300000000, 0.0001623900000000 ] - [ -0.0002222100000000, 0.0000584400000000, 0.0000020100000000 ] - [ -0.0000168400000000, -0.0001216300000000, -0.0000209900000000 ] - [ 0.0039352300000000, -0.0002109200000000, 0.0025924400000000 ] - [ 0.0002294100000000, 0.0000421200000000, -0.0000890700000000 ] - [ 0.0000994400000000, 0.0000392600000000, -0.0000042000000000 ] - [ -0.0000285200000000, 0.0001533200000000, 0.0001199500000000 ] - [ -0.0000332900000000, -0.0001409200000000, 0.0000748000000000 ] - [ -0.0000590500000000, -0.0004555900000000, -0.0002524100000000 ] - [ 0.0000286700000000, 0.0000752400000000, -0.0000655600000000 ] - [ -0.0003107400000000, 0.0000694500000000, -0.0002026100000000 ] - [ -0.0000988000000000, 0.0001506400000000, -0.0000222800000000 ] - [ -0.0004730500000000, -0.0006486900000000, -0.0003659800000000 ] - [ -0.0002319800000000, -0.0000708500000000, -0.0001115800000000 ] - [ -0.0008290200000000, 0.0002165100000000, 0.0004608700000000 ] - [ -0.0001191700000000, -0.0001222900000000, -0.0000518300000000 ] - [ 0.0001278300000000, 0.0000526200000000, -0.0000591700000000 ] - [ -0.0000240700000000, 0.0000625300000000, 0.0004116000000000 ] - [ 0.0102928100000000, 0.0004538100000000, 0.0041514500000000 ] - [ 0.0000393800000000, -0.0001745400000000, 0.0000405900000000 ] - [ 0.0001309200000000, -0.0002483000000000, 0.0000453600000000 ] - [ -0.0001417600000000, -0.0005750500000000, 0.0016139700000000 ] - [ 0.0007772300000000, -0.0000891500000000, -0.0013304500000000 ] - [ 0.0001634100000000, -0.0000990400000000, -0.0000948100000000 ] - [ 0.0003422000000000, 0.0000425800000000, 0.0002059200000000 ] - [ 0.0001909300000000, 0.0003136700000000, -0.0009037000000000 ] - [ 0.0395288600000000, 0.0179651600000000, -0.0167893200000000 ] - [ 0.0000632400000000, -0.0000062100000000, 0.0000933400000000 ] - [ 0.0000492800000000, -0.0000588300000000, -0.0001263300000000 ] - [ -0.0004594800000000, 0.0005905200000000, -0.0011033200000000 ] - [ -0.0002188400000000, 0.0001103600000000, 0.0000458900000000 ] - [ -0.0007144300000000, -0.0002929300000000, -0.0001636000000000 ] - [ -0.0000767400000000, -0.0000580500000000, 0.0000881300000000 ] - [ -0.0001353200000000, 0.0000451200000000, 0.0000422700000000 ] - [ -0.0000700400000000, -0.0000483900000000, 0.0000358000000000 ] - [ -0.0001208800000000, -0.0000597200000000, 0.0000715600000000 ]- atom: 25 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000752600000000, -0.0000360700000000, -0.0000952700000000 ] - [ 0.0001196000000000, 0.0000349600000000, -0.0000429800000000 ] - [ 0.0002345200000000, -0.0001399300000000, 0.0002887800000000 ] - [ -0.0001297300000000, -0.0000473500000000, 0.0000149100000000 ] - [ -0.0000142600000000, -0.0001111300000000, 0.0000116600000000 ] - [ 0.0000429800000000, 0.0001484000000000, -0.0000264400000000 ] - [ -0.0001082400000000, -0.0000909400000000, 0.0000039800000000 ] - [ -0.0001459900000000, 0.0001482600000000, 0.0001038400000000 ] - [ 0.0000027900000000, -0.0002597800000000, -0.0000445500000000 ] - [ 0.0000101600000000, 0.0003038800000000, -0.0000838000000000 ] - [ -0.0000397800000000, -0.0000525400000000, 0.0002183200000000 ] - [ -0.0000109800000000, 0.0000469600000000, 0.0000866000000000 ] - [ -0.0001155900000000, -0.0001735700000000, 0.0001068300000000 ] - [ -0.0000803000000000, 0.0000712200000000, 0.0001620300000000 ] - [ -0.0011580400000000, 0.0006391400000000, 0.0012570400000000 ] - [ 0.0000471000000000, 0.0001699200000000, 0.0000690700000000 ] - [ 0.0000409700000000, -0.0002308900000000, 0.0000928100000000 ] - [ 0.0006497700000000, 0.0013323800000000, -0.0017118800000000 ] - [ -0.0005163400000000, 0.0030737000000000, -0.0015782000000000 ] - [ 0.0000761100000000, -0.0000297300000000, 0.0002513900000000 ] - [ -0.0000899100000000, -0.0000571400000000, 0.0000625600000000 ] - [ 0.0001008400000000, -0.0001107100000000, 0.0000787200000000 ] - [ -0.0000737400000000, -0.0003655600000000, 0.0000659100000000 ] - [ 0.0000976600000000, -0.0005520300000000, -0.0018547000000000 ] - [ 0.0690315800000000, 0.0175321400000000, -0.0098562200000000 ] - [ 0.0000179800000000, 0.0000691500000000, -0.0001169200000000 ] - [ -0.0000895000000000, -0.0000378100000000, 0.0002174000000000 ] - [ -0.0000035100000000, 0.0001749500000000, 0.0001623100000000 ] - [ -0.0005118100000000, -0.0025505900000000, -0.0006212200000000 ] - [ 0.0000814700000000, -0.0000731600000000, -0.0001235200000000 ] - [ 0.0000204400000000, -0.0001863500000000, -0.0000479300000000 ] - [ -0.0001712500000000, -0.0000619300000000, 0.0002662000000000 ] - [ 0.0000112700000000, 0.0000653400000000, -0.0000490900000000 ] - [ 0.0001378500000000, -0.0001255700000000, -0.0000806500000000 ] - [ -0.0032860100000000, 0.0020580900000000, 0.0025624900000000 ] - [ 0.0001229500000000, -0.0000551600000000, 0.0000894100000000 ] - [ 0.0000177000000000, 0.0000624400000000, -0.0001354900000000 ] - [ 0.0000183800000000, 0.0000536900000000, -0.0000219300000000 ] - [ -0.0052981600000000, -0.0019814700000000, 0.0006947900000000 ] - [ -0.0000719400000000, 0.0000297900000000, -0.0000275800000000 ] - [ -0.0001309800000000, -0.0000081900000000, 0.0000095300000000 ] - [ -0.0001567400000000, 0.0000107500000000, -0.0000078700000000 ] - [ 0.0001079900000000, -0.0000094400000000, -0.0000980700000000 ] - [ 0.0001826500000000, -0.0000030700000000, -0.0000347000000000 ] - [ -0.0000418300000000, 0.0000670300000000, -0.0000458800000000 ] - [ -0.0000998100000000, -0.0001723600000000, -0.0000341500000000 ] - [ -0.0000666100000000, 0.0002031100000000, -0.0000933700000000 ] - [ -0.0002072700000000, -0.0002383800000000, -0.0000856300000000 ] - [ -0.0000927900000000, -0.0001588200000000, -0.0000160700000000 ] - [ 0.0000995500000000, 0.0001182800000000, -0.0000548200000000 ] - [ -0.0047935800000000, -0.0004583800000000, -0.0017183300000000 ] - [ 0.0001658700000000, 0.0000069300000000, 0.0000782100000000 ] - [ -0.0000679400000000, -0.0001266200000000, 0.0000603400000000 ] - [ -0.0000519700000000, 0.0000107200000000, 0.0002212400000000 ] - [ -0.0000951600000000, 0.0000168300000000, 0.0000339500000000 ] - [ -0.0041365800000000, 0.0003211300000000, -0.0026477200000000 ] - [ -0.0000908800000000, -0.0001088800000000, 0.0000731800000000 ] - [ 0.0000400900000000, 0.0000266800000000, -0.0000127300000000 ] - [ -0.0000753600000000, 0.0001517000000000, 0.0001138000000000 ] - [ -0.0000707500000000, -0.0001643400000000, 0.0001593700000000 ] - [ 0.0002273000000000, 0.0001452100000000, 0.0000406500000000 ] - [ 0.0001398500000000, 0.0002369200000000, -0.0001488400000000 ] - [ 0.0002706000000000, -0.0002700600000000, 0.0000607400000000 ] - [ 0.0000589500000000, 0.0000509400000000, -0.0001236300000000 ] - [ 0.0001363600000000, 0.0008514700000000, -0.0000158800000000 ] - [ -0.0001051800000000, -0.0001433900000000, -0.0002693900000000 ] - [ 0.0006447100000000, -0.0000552600000000, -0.0004847800000000 ] - [ -0.0000703700000000, -0.0000361300000000, 0.0000206500000000 ] - [ -0.0000560200000000, 0.0000919000000000, -0.0000645200000000 ] - [ 0.0000934500000000, -0.0002105400000000, -0.0005377400000000 ] - [ -0.0102240600000000, -0.0004476300000000, -0.0040592600000000 ] - [ -0.0000065100000000, 0.0001394200000000, -0.0001119100000000 ] - [ 0.0000688200000000, 0.0002257700000000, -0.0000141400000000 ] - [ 0.0003310500000000, 0.0005938400000000, -0.0015743300000000 ] - [ -0.0004471800000000, 0.0001640400000000, 0.0011376800000000 ] - [ 0.0001580600000000, 0.0000411800000000, -0.0000992800000000 ] - [ -0.0005403900000000, -0.0002960600000000, -0.0001098700000000 ] - [ -0.0003847600000000, -0.0000587100000000, 0.0010030400000000 ] - [ -0.0412734300000000, -0.0187898600000000, 0.0176480100000000 ] - [ -0.0000509300000000, -0.0001568700000000, -0.0000328400000000 ] - [ 0.0001060200000000, -0.0000389100000000, 0.0000266700000000 ] - [ 0.0006020700000000, -0.0005136800000000, 0.0010327400000000 ] - [ 0.0000157800000000, -0.0000477600000000, 0.0000052600000000 ] - [ 0.0005112800000000, 0.0002310600000000, 0.0002179700000000 ] - [ 0.0000152400000000, -0.0001380700000000, -0.0000119000000000 ] - [ 0.0000732800000000, 0.0001512800000000, 0.0000378000000000 ] - [ 0.0000965500000000, 0.0000117800000000, 0.0001071200000000 ] - [ 0.0001492700000000, 0.0000984100000000, 0.0000710500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000216700000000, 0.0000040300000000, -0.0000398500000000 ] - [ 0.0000589000000000, -0.0000219300000000, -0.0000773200000000 ] - [ 0.0001417600000000, -0.0003821100000000, -0.0006599900000000 ] - [ -0.0001308500000000, -0.0001322300000000, 0.0000558600000000 ] - [ 0.0001016700000000, -0.0002245900000000, 0.0000618500000000 ] - [ 0.0000712600000000, 0.0001911800000000, -0.0000295700000000 ] - [ -0.0001021100000000, -0.0000586600000000, 0.0000065400000000 ] - [ -0.0001470700000000, 0.0000180900000000, -0.0001485300000000 ] - [ 0.0000930700000000, -0.0003067800000000, -0.0000795100000000 ] - [ -0.0000019600000000, 0.0004401500000000, -0.0000616400000000 ] - [ 0.0000928500000000, -0.0002228300000000, 0.0000631800000000 ] - [ 0.0000339800000000, 0.0001775200000000, 0.0001308900000000 ] - [ -0.0000053600000000, -0.0000318700000000, 0.0002009200000000 ] - [ -0.0000941600000000, 0.0000886500000000, 0.0000930300000000 ] - [ -0.0003545600000000, 0.0003723300000000, 0.0004727700000000 ] - [ 0.0000347100000000, 0.0002005500000000, 0.0000793500000000 ] - [ -0.0000106000000000, -0.0001641000000000, 0.0000523100000000 ] - [ -0.0023496500000000, 0.0008812100000000, -0.0018244500000000 ] - [ -0.0001753900000000, 0.0029608700000000, -0.0014593300000000 ] - [ 0.0000949100000000, 0.0000660800000000, 0.0002128300000000 ] - [ -0.0000358600000000, 0.0001835900000000, 0.0000945800000000 ] - [ -0.0000286000000000, 0.0001099200000000, -0.0000132800000000 ] - [ -0.0002707500000000, 0.0001414100000000, -0.0002153100000000 ] - [ -0.0007030400000000, -0.0001908200000000, 0.0033578400000000 ] - [ -0.0169472700000000, -0.0343907500000000, 0.0287845300000000 ] - [ -0.0000261700000000, 0.0000978300000000, -0.0001707600000000 ] - [ -0.0004546300000000, 0.0013069200000000, -0.0005605300000000 ] - [ -0.0001573000000000, -0.0000690300000000, 0.0000265900000000 ] - [ 0.0014513300000000, 0.0032638600000000, -0.0008926800000000 ] - [ 0.0000502100000000, 0.0000130600000000, -0.0002207400000000 ] - [ -0.0001045500000000, 0.0001084300000000, 0.0001363500000000 ] - [ 0.0001262900000000, 0.0003506700000000, -0.0003039700000000 ] - [ -0.0000189200000000, 0.0001776500000000, -0.0000787500000000 ] - [ -0.0000066500000000, -0.0000072300000000, -0.0001759700000000 ] - [ -0.0017282400000000, -0.0005439400000000, 0.0017542900000000 ] - [ -0.0000052300000000, -0.0001736100000000, 0.0000011500000000 ] - [ -0.0000757500000000, 0.0000379900000000, -0.0001289000000000 ] - [ -0.0000155200000000, -0.0001705200000000, -0.0000901300000000 ] - [ 0.0030922000000000, 0.0013762100000000, 0.0005416500000000 ] - [ -0.0000823700000000, 0.0000474400000000, -0.0000454200000000 ] - [ -0.0000526800000000, -0.0000086200000000, 0.0000045300000000 ] - [ -0.0000203600000000, 0.0000200600000000, -0.0000789000000000 ] - [ 0.0003343900000000, -0.0001260900000000, 0.0000991600000000 ] - [ 0.0002712800000000, 0.0000749700000000, 0.0000143800000000 ] - [ 0.0000167600000000, 0.0000389900000000, -0.0001089600000000 ] - [ 0.0000610500000000, 0.0000514600000000, -0.0000958100000000 ] - [ 0.0000156600000000, 0.0001852300000000, -0.0000929600000000 ] - [ 0.0000462600000000, -0.0001499900000000, -0.0000297300000000 ] - [ 0.0001432800000000, -0.0001012800000000, 0.0000018100000000 ] - [ 0.0001516700000000, 0.0001092200000000, -0.0000419300000000 ] - [ 0.0010017700000000, -0.0001766000000000, 0.0006065100000000 ] - [ 0.0001810000000000, 0.0000153400000000, 0.0000547600000000 ] - [ -0.0001768100000000, 0.0001485900000000, 0.0002087600000000 ] - [ -0.0002235200000000, 0.0001402000000000, -0.0000514400000000 ] - [ -0.0000338500000000, -0.0001274100000000, -0.0000155700000000 ] - [ -0.0006981800000000, -0.0003648400000000, -0.0001017000000000 ] - [ 0.0002014300000000, 0.0000368700000000, -0.0000820700000000 ] - [ 0.0000688800000000, 0.0000430300000000, 0.0000177500000000 ] - [ -0.0000614100000000, 0.0001679100000000, 0.0001421800000000 ] - [ -0.0000240700000000, -0.0001255500000000, 0.0000408400000000 ] - [ -0.0001374900000000, -0.0004409000000000, -0.0002485800000000 ] - [ 0.0000470700000000, 0.0000592400000000, -0.0000337800000000 ] - [ 0.0000882500000000, -0.0001428100000000, -0.0000677100000000 ] - [ -0.0000417700000000, 0.0001529900000000, 0.0000130900000000 ] - [ -0.0003345600000000, -0.0000727100000000, -0.0002695900000000 ] - [ -0.0001708500000000, -0.0000498300000000, -0.0000321400000000 ] - [ -0.0006048700000000, 0.0001660900000000, -0.0000395800000000 ] - [ -0.0001190800000000, -0.0001119500000000, 0.0000211800000000 ] - [ 0.0000872400000000, -0.0001515200000000, -0.0000868200000000 ] - [ -0.0000326500000000, 0.0000287500000000, 0.0003518000000000 ] - [ -0.0001535000000000, 0.0105034300000000, -0.0170383200000000 ] - [ -0.0000638000000000, -0.0002178700000000, 0.0000513300000000 ] - [ -0.0000186300000000, -0.0005587800000000, 0.0000834300000000 ] - [ 0.0001659600000000, -0.0009851500000000, 0.0008431800000000 ] - [ -0.0002902100000000, 0.0014115100000000, -0.0002423700000000 ] - [ 0.0000928700000000, -0.0001685100000000, -0.0001138700000000 ] - [ 0.0002767500000000, -0.0002728600000000, 0.0005408700000000 ] - [ 0.0003136100000000, 0.0021207500000000, -0.0007322600000000 ] - [ 0.0183666900000000, 0.0144290800000000, -0.0128196100000000 ] - [ 0.0000467300000000, -0.0000601500000000, 0.0001144700000000 ] - [ 0.0000847600000000, -0.0001121400000000, -0.0001621000000000 ] - [ -0.0003115100000000, -0.0008909100000000, 0.0001379500000000 ] - [ -0.0001091000000000, -0.0000019100000000, -0.0000134600000000 ] - [ 0.0001916300000000, 0.0001889600000000, 0.0001196600000000 ] - [ 0.0000198500000000, -0.0000511800000000, 0.0002173300000000 ] - [ -0.0000308700000000, 0.0000159100000000, -0.0000070000000000 ] - [ -0.0000442300000000, -0.0000407400000000, -0.0000348200000000 ] - [ 0.0000469000000000, -0.0001229400000000, 0.0001062500000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001211000000000, -0.0000226000000000, -0.0000974100000000 ] - [ 0.0000831000000000, 0.0000414000000000, -0.0000603200000000 ] - [ -0.0004050800000000, 0.0005654100000000, 0.0007445300000000 ] - [ -0.0001282900000000, -0.0000411600000000, 0.0000125700000000 ] - [ 0.0000200100000000, -0.0001093000000000, -0.0000887400000000 ] - [ 0.0000507500000000, 0.0001431400000000, 0.0000016600000000 ] - [ -0.0000763100000000, -0.0001093100000000, 0.0000060900000000 ] - [ -0.0000318700000000, 0.0001501600000000, 0.0001609100000000 ] - [ 0.0000475900000000, -0.0002679900000000, -0.0000418200000000 ] - [ 0.0001426600000000, 0.0001359700000000, -0.0000594700000000 ] - [ -0.0000400900000000, -0.0000518400000000, 0.0001839500000000 ] - [ 0.0000178300000000, 0.0000950100000000, 0.0001172200000000 ] - [ -0.0001031300000000, -0.0001392400000000, 0.0001033300000000 ] - [ -0.0000158400000000, 0.0000825800000000, 0.0002101600000000 ] - [ 0.0004389500000000, -0.0007384200000000, -0.0003157700000000 ] - [ 0.0000388600000000, 0.0001580500000000, 0.0000895900000000 ] - [ -0.0000168800000000, -0.0002410000000000, 0.0000814600000000 ] - [ 0.0023104000000000, -0.0004807900000000, 0.0019310900000000 ] - [ 0.0003350700000000, -0.0030171900000000, 0.0019882100000000 ] - [ 0.0000373000000000, -0.0000611900000000, 0.0002741100000000 ] - [ -0.0001350600000000, -0.0001558800000000, 0.0000501500000000 ] - [ -0.0001447800000000, -0.0001328500000000, 0.0001562600000000 ] - [ -0.0001296000000000, -0.0005394000000000, 0.0002478200000000 ] - [ 0.0003126600000000, 0.0005972000000000, -0.0032911500000000 ] - [ 0.0172331200000000, 0.0341668600000000, -0.0293615800000000 ] - [ -0.0000043200000000, 0.0000628500000000, -0.0000992800000000 ] - [ 0.0002745500000000, -0.0014815500000000, 0.0006061300000000 ] - [ -0.0000078800000000, 0.0002949000000000, 0.0000359400000000 ] - [ -0.0013702600000000, -0.0032399200000000, 0.0005862400000000 ] - [ 0.0000816800000000, -0.0001057300000000, -0.0000922100000000 ] - [ 0.0000440100000000, -0.0002802800000000, -0.0000996200000000 ] - [ -0.0001849500000000, -0.0001774200000000, 0.0003385500000000 ] - [ 0.0000139800000000, 0.0000383700000000, -0.0000425600000000 ] - [ 0.0000043700000000, -0.0002060500000000, 0.0000558100000000 ] - [ 0.0018080300000000, 0.0008103100000000, -0.0016217200000000 ] - [ 0.0001017900000000, -0.0000945100000000, 0.0001277600000000 ] - [ 0.0000050100000000, -0.0000455500000000, -0.0000975200000000 ] - [ -0.0000543300000000, 0.0001775100000000, -0.0001366900000000 ] - [ -0.0032101900000000, -0.0014417600000000, -0.0006078900000000 ] - [ -0.0000548200000000, 0.0000122200000000, -0.0000175100000000 ] - [ -0.0000224800000000, -0.0000655300000000, -0.0000342600000000 ] - [ -0.0000549600000000, 0.0000547800000000, 0.0000484100000000 ] - [ 0.0001726500000000, 0.0000556600000000, -0.0000948600000000 ] - [ 0.0002360100000000, -0.0000042200000000, -0.0000103100000000 ] - [ -0.0000139100000000, 0.0000583600000000, -0.0000451000000000 ] - [ -0.0000574800000000, -0.0001471400000000, -0.0000581500000000 ] - [ 0.0000687300000000, 0.0002283000000000, -0.0000335200000000 ] - [ 0.0000378700000000, -0.0002637800000000, -0.0000963600000000 ] - [ 0.0001396100000000, -0.0001061400000000, -0.0000769400000000 ] - [ 0.0001315700000000, 0.0000981000000000, -0.0000338400000000 ] - [ -0.0006949800000000, 0.0001452100000000, -0.0004476600000000 ] - [ 0.0001374000000000, 0.0000093400000000, 0.0001070600000000 ] - [ -0.0001003500000000, -0.0002174900000000, 0.0000187600000000 ] - [ -0.0000532200000000, -0.0000673400000000, 0.0002756900000000 ] - [ -0.0000762600000000, 0.0000233400000000, 0.0000237300000000 ] - [ 0.0005965800000000, 0.0004634500000000, 0.0001139300000000 ] - [ -0.0000634700000000, -0.0001005500000000, 0.0000621400000000 ] - [ 0.0000677400000000, 0.0000214900000000, -0.0000369000000000 ] - [ -0.0000441200000000, 0.0001388800000000, 0.0000902400000000 ] - [ -0.0000811500000000, -0.0001808600000000, 0.0001907000000000 ] - [ 0.0003089700000000, 0.0001286400000000, 0.0000345100000000 ] - [ 0.0001238700000000, 0.0002502400000000, -0.0001783100000000 ] - [ -0.0001279100000000, -0.0000552400000000, -0.0000778000000000 ] - [ 0.0000015500000000, 0.0000489200000000, -0.0001581800000000 ] - [ -0.0000043500000000, 0.0002947800000000, -0.0001111400000000 ] - [ -0.0001672200000000, -0.0001666300000000, -0.0003450900000000 ] - [ 0.0004156300000000, -0.0000053800000000, 0.0000062100000000 ] - [ -0.0000702000000000, -0.0000439500000000, -0.0000528800000000 ] - [ -0.0000184800000000, 0.0002915700000000, -0.0000361300000000 ] - [ 0.0001015100000000, -0.0001740700000000, -0.0004764300000000 ] - [ 0.0002064000000000, -0.0103513400000000, 0.0170799800000000 ] - [ 0.0000892700000000, 0.0001782200000000, -0.0001197600000000 ] - [ 0.0002111400000000, 0.0005173700000000, -0.0000490400000000 ] - [ 0.0000198500000000, 0.0010241100000000, -0.0008060900000000 ] - [ 0.0006109900000000, -0.0014011100000000, 0.0000633300000000 ] - [ 0.0002261000000000, 0.0001085700000000, -0.0000784400000000 ] - [ -0.0004584900000000, 0.0000199200000000, -0.0004301600000000 ] - [ -0.0004973200000000, -0.0018728500000000, 0.0008261900000000 ] - [ -0.0186592500000000, -0.0142071700000000, 0.0130288000000000 ] - [ -0.0000319500000000, -0.0000977700000000, -0.0000478900000000 ] - [ 0.0000739200000000, 0.0000131500000000, 0.0000578500000000 ] - [ 0.0004669900000000, 0.0009966500000000, -0.0002304300000000 ] - [ -0.0000921200000000, 0.0000637900000000, 0.0000654700000000 ] - [ -0.0003930200000000, -0.0002520300000000, -0.0000661100000000 ] - [ -0.0000847500000000, -0.0001430400000000, -0.0001378600000000 ] - [ -0.0000335500000000, 0.0001783500000000, 0.0000864000000000 ] - [ 0.0000689100000000, 0.0000035200000000, 0.0001759300000000 ] - [ -0.0000214200000000, 0.0001579000000000, 0.0000360300000000 ]- atom: 25 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0001463200000000, 0.0000218700000000, -0.0001091200000000 ] - [ 0.0000757300000000, 0.0000190400000000, -0.0000509600000000 ] - [ -0.0006080600000000, -0.0006810400000000, 0.0005594100000000 ] - [ -0.0001132300000000, -0.0000187800000000, -0.0000212300000000 ] - [ 0.0000053600000000, -0.0000910000000000, -0.0001394400000000 ] - [ 0.0000540500000000, 0.0001664500000000, 0.0000386100000000 ] - [ -0.0000841300000000, -0.0000873500000000, -0.0000361500000000 ] - [ 0.0000017700000000, 0.0002567100000000, 0.0003922900000000 ] - [ 0.0000196000000000, -0.0002285100000000, -0.0000155900000000 ] - [ 0.0001226700000000, 0.0001626200000000, -0.0000730100000000 ] - [ -0.0000219500000000, -0.0000357600000000, 0.0001724700000000 ] - [ 0.0000731500000000, 0.0001772000000000, 0.0000726300000000 ] - [ -0.0001393100000000, -0.0001594100000000, 0.0000817600000000 ] - [ 0.0000910200000000, 0.0000286000000000, 0.0003257600000000 ] - [ -0.0016292400000000, 0.0006945100000000, 0.0014105500000000 ] - [ 0.0000639800000000, 0.0001656300000000, 0.0000766600000000 ] - [ -0.0000188500000000, -0.0002505300000000, 0.0000988300000000 ] - [ 0.0045177400000000, -0.0006966500000000, 0.0062405600000000 ] - [ 0.0006279800000000, -0.0017558900000000, -0.0005083400000000 ] - [ -0.0000022400000000, -0.0000844000000000, 0.0003172700000000 ] - [ -0.0001156200000000, -0.0001202800000000, 0.0000889500000000 ] - [ -0.0000635000000000, -0.0001459600000000, -0.0000006100000000 ] - [ -0.0001320500000000, -0.0008611700000000, 0.0005124300000000 ] - [ -0.0013409500000000, 0.0021681800000000, 0.0036491000000000 ] - [ 0.0090415500000000, 0.0295023100000000, -0.0805911300000000 ] - [ -0.0000325700000000, 0.0001159700000000, 0.0000543800000000 ] - [ -0.0000081100000000, -0.0008531400000000, 0.0005426700000000 ] - [ -0.0002062200000000, 0.0001730400000000, 0.0001467200000000 ] - [ 0.0015089800000000, 0.0011120400000000, -0.0012364700000000 ] - [ 0.0000946200000000, -0.0001300400000000, -0.0000130100000000 ] - [ 0.0000287700000000, -0.0001714400000000, -0.0000208400000000 ] - [ -0.0003273900000000, -0.0002900200000000, 0.0006657600000000 ] - [ 0.0000106000000000, 0.0000414800000000, -0.0000104000000000 ] - [ 0.0000005400000000, -0.0002355400000000, -0.0002177900000000 ] - [ -0.0004576800000000, 0.0008664200000000, 0.0006440400000000 ] - [ 0.0001195800000000, -0.0001033500000000, 0.0002079600000000 ] - [ 0.0000176100000000, -0.0001151900000000, -0.0000729200000000 ] - [ -0.0001629900000000, 0.0001368100000000, 0.0000458300000000 ] - [ -0.0042557000000000, -0.0007783400000000, -0.0013353000000000 ] - [ -0.0000422900000000, 0.0000198800000000, 0.0000245300000000 ] - [ -0.0000287700000000, -0.0000464700000000, -0.0000567900000000 ] - [ -0.0000382100000000, 0.0000698000000000, 0.0001280900000000 ] - [ 0.0002254300000000, 0.0000447700000000, -0.0000766200000000 ] - [ 0.0002302200000000, 0.0000145600000000, -0.0000038500000000 ] - [ -0.0000175700000000, 0.0000652200000000, -0.0000086900000000 ] - [ -0.0000523900000000, -0.0001422200000000, -0.0000810000000000 ] - [ 0.0001560300000000, 0.0002237800000000, 0.0000362300000000 ] - [ -0.0000113800000000, -0.0001760200000000, -0.0000902300000000 ] - [ 0.0002524000000000, -0.0001101800000000, -0.0002136600000000 ] - [ 0.0001238500000000, 0.0001015500000000, -0.0000076200000000 ] - [ 0.0011653100000000, 0.0000931800000000, -0.0002601700000000 ] - [ 0.0001198300000000, -0.0000111100000000, 0.0001512500000000 ] - [ -0.0001011800000000, -0.0002276100000000, -0.0000365000000000 ] - [ 0.0000123200000000, -0.0001223500000000, 0.0004516700000000 ] - [ -0.0001213800000000, 0.0001222000000000, 0.0001218000000000 ] - [ 0.0037991200000000, 0.0003231100000000, 0.0015655100000000 ] - [ -0.0001282300000000, -0.0000769700000000, 0.0001145800000000 ] - [ 0.0000901200000000, 0.0000456100000000, -0.0000655200000000 ] - [ -0.0000239200000000, 0.0001397200000000, 0.0000404700000000 ] - [ -0.0001160700000000, -0.0002184000000000, 0.0002877900000000 ] - [ -0.0000451600000000, 0.0000602500000000, 0.0002072400000000 ] - [ 0.0001334000000000, 0.0002941200000000, -0.0002525000000000 ] - [ -0.0000928100000000, -0.0000562400000000, 0.0002117500000000 ] - [ 0.0000260000000000, 0.0000459000000000, -0.0002846600000000 ] - [ -0.0000236200000000, 0.0001384700000000, 0.0000033600000000 ] - [ -0.0002790000000000, -0.0001642300000000, -0.0005229400000000 ] - [ 0.0007425500000000, 0.0002253200000000, 0.0003459500000000 ] - [ -0.0001315900000000, -0.0001308000000000, -0.0001823600000000 ] - [ -0.0000061000000000, 0.0002511600000000, 0.0000272500000000 ] - [ 0.0001830700000000, -0.0002164900000000, -0.0010199600000000 ] - [ 0.0061263200000000, -0.0171904800000000, 0.0472256400000000 ] - [ 0.0001217700000000, 0.0003014700000000, -0.0002897500000000 ] - [ 0.0002970200000000, 0.0005307800000000, 0.0000123900000000 ] - [ 0.0002188900000000, 0.0003681500000000, -0.0014508600000000 ] - [ -0.0006923500000000, -0.0005690300000000, 0.0017214000000000 ] - [ 0.0002643600000000, 0.0001297800000000, -0.0001932200000000 ] - [ -0.0006239900000000, 0.0004334500000000, -0.0007343200000000 ] - [ -0.0007801200000000, 0.0001813600000000, 0.0019039400000000 ] - [ -0.0178349100000000, -0.0128267900000000, 0.0217747100000000 ] - [ 0.0000008100000000, -0.0001776100000000, -0.0002630700000000 ] - [ 0.0000229200000000, -0.0000125500000000, -0.0000027900000000 ] - [ 0.0011134200000000, 0.0008176500000000, -0.0020777000000000 ] - [ -0.0000306300000000, -0.0000081000000000, 0.0000696500000000 ] - [ -0.0009908200000000, -0.0006176300000000, -0.0002337800000000 ] - [ -0.0001482300000000, -0.0001646500000000, -0.0003441400000000 ] - [ -0.0000246700000000, 0.0001773200000000, 0.0001853000000000 ] - [ 0.0000616700000000, -0.0000385700000000, 0.0002277800000000 ] - [ -0.0000033200000000, 0.0001708200000000, 0.0000220800000000 ]- atom: 25 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ -0.0000042400000000, -0.0000409000000000, -0.0000273700000000 ] - [ 0.0000662900000000, 0.0000006200000000, -0.0000859800000000 ] - [ 0.0003258300000000, 0.0008294100000000, -0.0004813500000000 ] - [ -0.0001455900000000, -0.0001550800000000, 0.0000898500000000 ] - [ 0.0001167700000000, -0.0002433500000000, 0.0001138200000000 ] - [ 0.0000677700000000, 0.0001672300000000, -0.0000672600000000 ] - [ -0.0000941500000000, -0.0000815900000000, 0.0000505700000000 ] - [ -0.0001792700000000, -0.0000893800000000, -0.0003807000000000 ] - [ 0.0001219000000000, -0.0003479500000000, -0.0001051500000000 ] - [ 0.0000179600000000, 0.0004120100000000, -0.0000479900000000 ] - [ 0.0000741600000000, -0.0002377800000000, 0.0000761800000000 ] - [ -0.0000210300000000, 0.0000949000000000, 0.0001746400000000 ] - [ 0.0000293800000000, -0.0000124000000000, 0.0002219100000000 ] - [ -0.0001993900000000, 0.0001428800000000, -0.0000214600000000 ] - [ 0.0017324600000000, -0.0010719700000000, -0.0012602600000000 ] - [ 0.0000097500000000, 0.0001928400000000, 0.0000922000000000 ] - [ -0.0000098600000000, -0.0001544000000000, 0.0000358900000000 ] - [ -0.0045065000000000, 0.0010916000000000, -0.0060141100000000 ] - [ -0.0004887700000000, 0.0017515500000000, 0.0009760200000000 ] - [ 0.0001338700000000, 0.0000889600000000, 0.0001703600000000 ] - [ -0.0000561900000000, 0.0001441100000000, 0.0000563200000000 ] - [ -0.0001090000000000, 0.0001247500000000, 0.0001423100000000 ] - [ -0.0002678200000000, 0.0004750700000000, -0.0004910700000000 ] - [ 0.0009395300000000, -0.0017183700000000, -0.0035362600000000 ] - [ -0.0095131100000000, -0.0286648600000000, 0.0781147700000000 ] - [ 0.0000017200000000, 0.0000449200000000, -0.0003241700000000 ] - [ -0.0001565500000000, 0.0006291200000000, -0.0004780500000000 ] - [ 0.0000389600000000, 0.0000530300000000, -0.0000918600000000 ] - [ -0.0013626000000000, -0.0009995200000000, 0.0009284400000000 ] - [ 0.0000371200000000, 0.0000370100000000, -0.0002992500000000 ] - [ -0.0000886100000000, -0.0000004600000000, 0.0000594500000000 ] - [ 0.0002671500000000, 0.0004632400000000, -0.0006272300000000 ] - [ -0.0000150900000000, 0.0001731300000000, -0.0001102300000000 ] - [ -0.0000038900000000, 0.0000225500000000, 0.0000975200000000 ] - [ 0.0005758100000000, -0.0006074300000000, -0.0005183700000000 ] - [ -0.0000222400000000, -0.0001632300000000, -0.0000789000000000 ] - [ -0.0000873700000000, 0.0001090000000000, -0.0001528900000000 ] - [ 0.0000976000000000, -0.0001297400000000, -0.0002746700000000 ] - [ 0.0041100400000000, 0.0007317900000000, 0.0012545300000000 ] - [ -0.0000939200000000, 0.0000396200000000, -0.0000871800000000 ] - [ -0.0000459900000000, -0.0000287000000000, 0.0000272700000000 ] - [ -0.0000366300000000, 0.0000051300000000, -0.0001595000000000 ] - [ 0.0002820700000000, -0.0001164600000000, 0.0000824400000000 ] - [ 0.0002769200000000, 0.0000556800000000, 0.0000083100000000 ] - [ 0.0000212000000000, 0.0000312300000000, -0.0001456100000000 ] - [ 0.0000557100000000, 0.0000454300000000, -0.0000724700000000 ] - [ -0.0000729100000000, 0.0001896000000000, -0.0001627800000000 ] - [ 0.0000961800000000, -0.0002385300000000, -0.0000357200000000 ] - [ 0.0000293300000000, -0.0000965700000000, 0.0001410900000000 ] - [ 0.0001595400000000, 0.0001057100000000, -0.0000689100000000 ] - [ -0.0008570600000000, -0.0001149000000000, 0.0004151200000000 ] - [ 0.0001981300000000, 0.0000366600000000, 0.0000102700000000 ] - [ -0.0001760900000000, 0.0001589700000000, 0.0002649300000000 ] - [ -0.0002903300000000, 0.0001940300000000, -0.0002272000000000 ] - [ 0.0000115900000000, -0.0002280400000000, -0.0001141800000000 ] - [ -0.0039521900000000, -0.0002188700000000, -0.0015688900000000 ] - [ 0.0002666300000000, 0.0000133800000000, -0.0001357300000000 ] - [ 0.0000469500000000, 0.0000178400000000, 0.0000477600000000 ] - [ -0.0000817700000000, 0.0001668900000000, 0.0001934400000000 ] - [ 0.0000108400000000, -0.0000882800000000, -0.0000561900000000 ] - [ 0.0002133700000000, -0.0003719400000000, -0.0004210900000000 ] - [ 0.0000372200000000, 0.0000158300000000, 0.0000418200000000 ] - [ 0.0000501300000000, -0.0001432400000000, -0.0003631500000000 ] - [ -0.0000676600000000, 0.0001552100000000, 0.0001424600000000 ] - [ -0.0003120100000000, 0.0000858100000000, -0.0003820000000000 ] - [ -0.0000592100000000, -0.0000555100000000, 0.0001459300000000 ] - [ -0.0009380100000000, -0.0000741100000000, -0.0003887100000000 ] - [ -0.0000572400000000, -0.0000251600000000, 0.0001526000000000 ] - [ 0.0000766500000000, -0.0001090000000000, -0.0001488400000000 ] - [ -0.0001179100000000, 0.0000755900000000, 0.0009048900000000 ] - [ -0.0054382400000000, 0.0163824200000000, -0.0453011600000000 ] - [ -0.0000957600000000, -0.0003440600000000, 0.0002226500000000 ] - [ -0.0001007700000000, -0.0005633900000000, 0.0000154300000000 ] - [ -0.0000183500000000, -0.0003488300000000, 0.0014907200000000 ] - [ 0.0010003700000000, 0.0006158700000000, -0.0019057200000000 ] - [ 0.0000555700000000, -0.0001868700000000, 0.0000029400000000 ] - [ 0.0004400200000000, -0.0006989200000000, 0.0008414900000000 ] - [ 0.0005607500000000, 0.0000893500000000, -0.0017494700000000 ] - [ 0.0176285400000000, 0.0128087800000000, -0.0216563800000000 ] - [ 0.0000138700000000, 0.0000191000000000, 0.0003331300000000 ] - [ 0.0001346200000000, -0.0000874100000000, -0.0001015800000000 ] - [ -0.0009425800000000, -0.0007194900000000, 0.0019597200000000 ] - [ -0.0001726600000000, 0.0000704800000000, -0.0000160600000000 ] - [ 0.0007964000000000, 0.0005617400000000, 0.0002912600000000 ] - [ 0.0000812000000000, -0.0000292400000000, 0.0004262900000000 ] - [ -0.0000403800000000, 0.0000175000000000, -0.0001076300000000 ] - [ -0.0000377600000000, 0.0000033100000000, -0.0000870500000000 ] - [ 0.0000288600000000, -0.0001349400000000, 0.0001210000000000 ]- atom: 27 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000600100000000, -0.0000237300000000, -0.0000672400000000 ] - [ 0.0000354100000000, 0.0000051000000000, -0.0000790500000000 ] - [ -0.0001299500000000, 0.0000847600000000, 0.0000265600000000 ] - [ -0.0007980900000000, 0.0003220100000000, 0.0002541500000000 ] - [ 0.0000744300000000, -0.0001692600000000, -0.0000196800000000 ] - [ 0.0000671200000000, 0.0001734000000000, -0.0000037200000000 ] - [ -0.0000137000000000, -0.0001265400000000, 0.0000513700000000 ] - [ -0.0000729600000000, 0.0000937800000000, 0.0000118900000000 ] - [ 0.0001269400000000, -0.0002350100000000, -0.0000644100000000 ] - [ 0.0000938900000000, 0.0003159800000000, -0.0000331600000000 ] - [ 0.0000581300000000, -0.0001743800000000, 0.0001068100000000 ] - [ 0.0000419200000000, 0.0001330200000000, 0.0001342700000000 ] - [ 0.0007369700000000, -0.0000299600000000, 0.0004959200000000 ] - [ -0.0000123400000000, 0.0000757900000000, 0.0001675700000000 ] - [ 0.0000757300000000, -0.0001707300000000, 0.0000738300000000 ] - [ 0.0000533400000000, 0.0001781100000000, 0.0001076800000000 ] - [ 0.0024805200000000, 0.0013983000000000, -0.0034164700000000 ] - [ -0.0000182500000000, 0.0001988500000000, 0.0000722800000000 ] - [ 0.0000447100000000, 0.0000501700000000, 0.0002648500000000 ] - [ -0.0000900200000000, 0.0000171000000000, 0.0001076300000000 ] - [ 0.0007197500000000, 0.0013597000000000, -0.0010496300000000 ] - [ -0.0001077400000000, 0.0000413900000000, 0.0000998100000000 ] - [ -0.0003847100000000, 0.0002048500000000, -0.0017642600000000 ] - [ -0.0002224400000000, 0.0001690200000000, 0.0000128700000000 ] - [ -0.0000087200000000, -0.0004465400000000, -0.0000592600000000 ] - [ -0.0000944900000000, 0.0001546300000000, -0.0002570400000000 ] - [ -0.0246076900000000, -0.0115153000000000, -0.0115001600000000 ] - [ -0.0000809600000000, 0.0001228700000000, 0.0000207200000000 ] - [ 0.0000383300000000, 0.0000421900000000, -0.0001962900000000 ] - [ 0.0001334900000000, -0.0000683300000000, -0.0001573900000000 ] - [ 0.0002627200000000, -0.0014388200000000, 0.0013023900000000 ] - [ -0.0000397100000000, 0.0000823300000000, 0.0000269100000000 ] - [ -0.0000045900000000, 0.0000450300000000, 0.0000257100000000 ] - [ -0.0000162700000000, -0.0001055700000000, -0.0000681300000000 ] - [ 0.0004277300000000, 0.0010476300000000, -0.0007652900000000 ] - [ 0.0011967400000000, 0.0002365600000000, 0.0015564500000000 ] - [ 0.0034150100000000, -0.0013626400000000, 0.0030838100000000 ] - [ -0.0000426100000000, 0.0000337600000000, -0.0001167000000000 ] - [ -0.0000821900000000, -0.0000109800000000, -0.0000535300000000 ] - [ -0.0001223100000000, -0.0000868000000000, 0.0000088300000000 ] - [ 0.0000652500000000, -0.0000733100000000, -0.0000473100000000 ] - [ -0.0000000500000000, 0.0000654500000000, -0.0000083400000000 ] - [ 0.0003161400000000, -0.0000094500000000, 0.0000173700000000 ] - [ 0.0002783800000000, 0.0000387700000000, 0.0000114200000000 ] - [ 0.0000128200000000, 0.0000461000000000, -0.0000771300000000 ] - [ 0.0000275400000000, -0.0000387200000000, -0.0000908700000000 ] - [ 0.0001358200000000, 0.0002917200000000, -0.0000541900000000 ] - [ 0.0001086800000000, -0.0002601400000000, -0.0000720400000000 ] - [ 0.0001935600000000, -0.0000828500000000, -0.0000329200000000 ] - [ 0.0001706100000000, 0.0000875700000000, -0.0000267900000000 ] - [ 0.0001599900000000, -0.0000298100000000, 0.0000724100000000 ] - [ 0.0001674200000000, 0.0000116500000000, 0.0000519900000000 ] - [ 0.0000523400000000, 0.0008482700000000, 0.0005465100000000 ] - [ -0.0001226300000000, 0.0000575900000000, 0.0000714800000000 ] - [ -0.0000264500000000, -0.0000577400000000, 0.0000705300000000 ] - [ 0.0004267100000000, 0.0006779800000000, 0.0002067600000000 ] - [ 0.0000697600000000, -0.0000217700000000, 0.0000013100000000 ] - [ 0.0001189800000000, 0.0000222000000000, 0.0000017700000000 ] - [ -0.0000492100000000, 0.0001403800000000, 0.0000746500000000 ] - [ -0.0000430700000000, -0.0001478300000000, 0.0001216800000000 ] - [ 0.0000471600000000, -0.0001101800000000, -0.0000379200000000 ] - [ 0.0000743400000000, 0.0001764400000000, -0.0001278000000000 ] - [ -0.0003500300000000, -0.0003113500000000, 0.0001806300000000 ] - [ -0.0001148900000000, 0.0000596300000000, -0.0001676800000000 ] - [ -0.0003671100000000, 0.0002567200000000, -0.0001912600000000 ] - [ -0.0002926400000000, -0.0000785800000000, -0.0001865400000000 ] - [ -0.0001616700000000, 0.0001164600000000, -0.0000075000000000 ] - [ -0.0001019200000000, -0.0000872500000000, -0.0000186200000000 ] - [ -0.0001293900000000, -0.0000262900000000, -0.0002581700000000 ] - [ 0.0000118900000000, -0.0001145100000000, -0.0000318800000000 ] - [ 0.0000288100000000, 0.0000545800000000, -0.0000877600000000 ] - [ 0.0014399400000000, -0.0008337600000000, 0.0004291900000000 ] - [ 0.0060203600000000, 0.0065302700000000, -0.0019560800000000 ] - [ 0.0001111500000000, -0.0000162200000000, 0.0000151600000000 ] - [ 0.0003566100000000, -0.0002051300000000, -0.0001410300000000 ] - [ -0.0004688500000000, 0.0005746700000000, -0.0006203500000000 ] - [ 0.0086641000000000, 0.0029230900000000, 0.0132672000000000 ] - [ -0.0000048700000000, 0.0001336600000000, 0.0001425300000000 ] - [ 0.0001488900000000, -0.0000547700000000, 0.0001734800000000 ] - [ -0.0008248400000000, -0.0006145300000000, 0.0007842000000000 ] - [ 0.0013537100000000, -0.0005932800000000, -0.0005463500000000 ] - [ 0.0000816800000000, 0.0000668800000000, -0.0000549500000000 ] - [ -0.0001739500000000, 0.0000376800000000, 0.0000974400000000 ] - [ -0.0002862500000000, -0.0001207200000000, -0.0000278200000000 ] - [ -0.0000430500000000, -0.0001065700000000, 0.0000130400000000 ] - [ -0.0002054400000000, 0.0001652900000000, 0.0000750800000000 ] - [ -0.0000861100000000, -0.0000041300000000, 0.0000386200000000 ] - [ 0.0000166200000000, -0.0000059100000000, 0.0000659300000000 ]- atom: 27 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000824900000000, 0.0000048500000000, -0.0000698000000000 ] - [ 0.0001064600000000, 0.0000140800000000, -0.0000584800000000 ] - [ -0.0001290100000000, 0.0000882100000000, 0.0000420200000000 ] - [ 0.0005394800000000, -0.0004956500000000, -0.0001841700000000 ] - [ 0.0000473400000000, -0.0001646500000000, -0.0000080100000000 ] - [ 0.0000548000000000, 0.0001605900000000, -0.0000240800000000 ] - [ -0.0001643100000000, -0.0000422000000000, -0.0000380200000000 ] - [ -0.0001051500000000, 0.0000746500000000, 0.0000013500000000 ] - [ 0.0000134400000000, -0.0003403800000000, -0.0000566700000000 ] - [ 0.0000466200000000, 0.0002595800000000, -0.0000877700000000 ] - [ -0.0000065100000000, -0.0000979300000000, 0.0001410400000000 ] - [ 0.0000098900000000, 0.0001392400000000, 0.0001137700000000 ] - [ -0.0008265300000000, -0.0001396800000000, -0.0001801700000000 ] - [ -0.0000973900000000, 0.0000957300000000, 0.0001361600000000 ] - [ -0.0000029800000000, -0.0001878400000000, 0.0000951700000000 ] - [ 0.0000200600000000, 0.0001803300000000, 0.0000612500000000 ] - [ -0.0024439100000000, -0.0017566700000000, 0.0034930800000000 ] - [ -0.0000100400000000, 0.0002062600000000, 0.0000622400000000 ] - [ 0.0000874400000000, -0.0000538200000000, 0.0002231400000000 ] - [ 0.0002200500000000, -0.0000135700000000, 0.0003795300000000 ] - [ -0.0009008900000000, -0.0013814900000000, 0.0011948100000000 ] - [ -0.0000641000000000, -0.0000652100000000, 0.0000450600000000 ] - [ -0.0000223400000000, -0.0006164200000000, 0.0017958200000000 ] - [ -0.0001764500000000, 0.0002340500000000, 0.0000239900000000 ] - [ -0.0000236900000000, 0.0002828600000000, -0.0002082500000000 ] - [ 0.0000638700000000, 0.0000053300000000, -0.0000120800000000 ] - [ 0.0244282000000000, 0.0113061200000000, 0.0117485200000000 ] - [ -0.0000845100000000, 0.0001034800000000, 0.0000429700000000 ] - [ 0.0000930400000000, 0.0000503400000000, -0.0001161500000000 ] - [ -0.0000010100000000, -0.0000269600000000, -0.0001508900000000 ] - [ -0.0003166200000000, 0.0012814300000000, -0.0012638600000000 ] - [ -0.0000201200000000, 0.0000904500000000, 0.0000104600000000 ] - [ 0.0000003200000000, 0.0001706900000000, -0.0001463600000000 ] - [ 0.0000116600000000, -0.0001097000000000, -0.0000523500000000 ] - [ -0.0003339000000000, -0.0007974600000000, 0.0009098000000000 ] - [ -0.0010847100000000, -0.0004788100000000, -0.0013968000000000 ] - [ -0.0035762200000000, 0.0013654200000000, -0.0033851500000000 ] - [ -0.0000269700000000, -0.0000267800000000, -0.0001089900000000 ] - [ -0.0000538100000000, -0.0000486500000000, -0.0000081300000000 ] - [ -0.0000124700000000, 0.0001471200000000, -0.0000717000000000 ] - [ -0.0001416100000000, -0.0000005400000000, 0.0000176800000000 ] - [ -0.0000746500000000, 0.0000098000000000, -0.0000223400000000 ] - [ 0.0001912400000000, -0.0000615200000000, -0.0000127500000000 ] - [ 0.0002291400000000, 0.0000318700000000, -0.0000068400000000 ] - [ -0.0000095300000000, 0.0000508000000000, -0.0000770500000000 ] - [ -0.0000240500000000, -0.0000577900000000, -0.0000632900000000 ] - [ -0.0000517400000000, 0.0001207900000000, -0.0000721200000000 ] - [ -0.0000240200000000, -0.0001533400000000, -0.0000534900000000 ] - [ 0.0000897600000000, -0.0001243100000000, -0.0000424300000000 ] - [ 0.0001128900000000, 0.0001192300000000, -0.0000486300000000 ] - [ 0.0001576400000000, 0.0000050800000000, 0.0000896300000000 ] - [ 0.0001495100000000, 0.0000129700000000, 0.0001102500000000 ] - [ -0.0003301800000000, -0.0009134900000000, -0.0003205700000000 ] - [ -0.0001539600000000, 0.0000133000000000, 0.0001545800000000 ] - [ -0.0000839100000000, -0.0000455400000000, -0.0000605400000000 ] - [ -0.0005414500000000, -0.0005798000000000, -0.0002024700000000 ] - [ 0.0000675300000000, -0.0000421700000000, -0.0000205000000000 ] - [ 0.0000192600000000, 0.0000419500000000, -0.0000211800000000 ] - [ -0.0000559500000000, 0.0001668700000000, 0.0001581800000000 ] - [ -0.0000622300000000, -0.0001590500000000, 0.0001107700000000 ] - [ 0.0001226500000000, -0.0001996600000000, -0.0001740000000000 ] - [ 0.0000963600000000, 0.0001334300000000, -0.0000847900000000 ] - [ 0.0003089900000000, 0.0001131200000000, -0.0003273500000000 ] - [ 0.0000716500000000, 0.0001411300000000, 0.0000207600000000 ] - [ 0.0000364800000000, -0.0000380700000000, -0.0001891100000000 ] - [ -0.0000375100000000, -0.0001375900000000, -0.0001933200000000 ] - [ -0.0000238300000000, 0.0000418200000000, -0.0000244900000000 ] - [ -0.0000843100000000, -0.0000707600000000, -0.0000136900000000 ] - [ 0.0002031500000000, 0.0001673400000000, 0.0001326800000000 ] - [ 0.0000607100000000, -0.0000302900000000, -0.0000933000000000 ] - [ -0.0000009500000000, -0.0000182700000000, 0.0000193400000000 ] - [ -0.0014025000000000, 0.0008048200000000, -0.0004922900000000 ] - [ -0.0058792200000000, -0.0065260700000000, 0.0020441500000000 ] - [ 0.0000848500000000, 0.0000458100000000, 0.0000130600000000 ] - [ -0.0000382600000000, 0.0002668400000000, -0.0000506200000000 ] - [ 0.0007846400000000, -0.0006318200000000, 0.0004109100000000 ] - [ -0.0087925200000000, -0.0032670100000000, -0.0132966900000000 ] - [ -0.0001904800000000, 0.0001209200000000, -0.0000461600000000 ] - [ -0.0001365100000000, 0.0002176000000000, -0.0001049600000000 ] - [ 0.0008390500000000, 0.0004628700000000, -0.0007307700000000 ] - [ -0.0012056400000000, 0.0004860900000000, 0.0004390100000000 ] - [ 0.0000782000000000, 0.0000322000000000, -0.0000505800000000 ] - [ -0.0000331500000000, 0.0000256000000000, -0.0000479700000000 ] - [ 0.0000787900000000, 0.0000566300000000, 0.0000794900000000 ] - [ -0.0000183200000000, -0.0000853600000000, 0.0000662700000000 ] - [ 0.0001447400000000, 0.0000267700000000, 0.0000054300000000 ] - [ 0.0001150800000000, -0.0000303600000000, 0.0001035600000000 ] - [ 0.0000126400000000, 0.0000402400000000, 0.0000762500000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000799100000000, -0.0000430200000000, -0.0000610200000000 ] - [ 0.0000579200000000, 0.0000257100000000, -0.0000670900000000 ] - [ -0.0001253000000000, 0.0000340200000000, 0.0000535300000000 ] - [ 0.0002615800000000, 0.0001556600000000, -0.0004623400000000 ] - [ 0.0000625700000000, -0.0001428500000000, -0.0000099900000000 ] - [ 0.0000666000000000, 0.0001666000000000, -0.0000354400000000 ] - [ -0.0000314400000000, -0.0001435300000000, 0.0000761200000000 ] - [ -0.0000700900000000, 0.0001048000000000, 0.0000038400000000 ] - [ 0.0001545800000000, -0.0001522500000000, -0.0000655600000000 ] - [ 0.0000951500000000, 0.0002681700000000, -0.0000521600000000 ] - [ 0.0000094300000000, -0.0000930300000000, 0.0001498500000000 ] - [ 0.0000145900000000, 0.0001059500000000, 0.0001065100000000 ] - [ -0.0000865000000000, -0.0002095900000000, 0.0000941400000000 ] - [ -0.0000861400000000, 0.0001456800000000, 0.0001315100000000 ] - [ 0.0001176200000000, -0.0001280000000000, 0.0000881100000000 ] - [ 0.0000728400000000, 0.0001675900000000, 0.0000731600000000 ] - [ 0.0020641300000000, -0.0005312700000000, -0.0009364900000000 ] - [ -0.0000779200000000, 0.0002476700000000, -0.0000047500000000 ] - [ 0.0000140800000000, 0.0001778600000000, 0.0002582400000000 ] - [ 0.0000674800000000, -0.0001374900000000, 0.0002246600000000 ] - [ 0.0014846800000000, 0.0061585100000000, -0.0013362800000000 ] - [ -0.0001365500000000, 0.0001148800000000, 0.0000809600000000 ] - [ -0.0011350700000000, 0.0000958800000000, 0.0033516300000000 ] - [ -0.0001716100000000, 0.0002650600000000, 0.0000297800000000 ] - [ -0.0000879100000000, 0.0012943100000000, -0.0008704200000000 ] - [ 0.0000469200000000, -0.0001029200000000, -0.0001956600000000 ] - [ -0.0117722300000000, -0.0571056100000000, 0.0202058000000000 ] - [ -0.0000922100000000, 0.0001311700000000, -0.0000818200000000 ] - [ 0.0001063100000000, 0.0003282100000000, 0.0000039200000000 ] - [ -0.0000097000000000, 0.0001448000000000, -0.0004004700000000 ] - [ -0.0030775000000000, 0.0040693600000000, -0.0010340300000000 ] - [ -0.0000186800000000, 0.0001441300000000, -0.0000507100000000 ] - [ -0.0001057200000000, 0.0000269400000000, -0.0001591600000000 ] - [ 0.0000062500000000, -0.0000040200000000, -0.0000122900000000 ] - [ 0.0004050300000000, 0.0015547400000000, -0.0011581500000000 ] - [ -0.0003659000000000, -0.0011973500000000, 0.0009095700000000 ] - [ 0.0011260000000000, -0.0001308500000000, 0.0004283200000000 ] - [ 0.0000160700000000, 0.0000540800000000, -0.0001953800000000 ] - [ -0.0000074300000000, 0.0000909300000000, -0.0000290800000000 ] - [ -0.0001528100000000, 0.0000388800000000, -0.0001032600000000 ] - [ 0.0001018600000000, -0.0001118700000000, -0.0000768200000000 ] - [ -0.0000165800000000, 0.0000497500000000, 0.0000102300000000 ] - [ 0.0003391400000000, 0.0000945100000000, 0.0000063600000000 ] - [ 0.0002419800000000, 0.0000172600000000, -0.0000209200000000 ] - [ -0.0000134800000000, 0.0001016100000000, -0.0000769700000000 ] - [ -0.0000023900000000, -0.0000601100000000, -0.0000561800000000 ] - [ 0.0000564300000000, 0.0001943300000000, -0.0000319600000000 ] - [ 0.0000674600000000, -0.0002527700000000, -0.0000886200000000 ] - [ 0.0002184000000000, -0.0000554100000000, 0.0000013800000000 ] - [ 0.0001524100000000, 0.0000972500000000, -0.0000660900000000 ] - [ 0.0001150000000000, -0.0000248300000000, 0.0000917100000000 ] - [ 0.0002195400000000, -0.0000307900000000, 0.0000712700000000 ] - [ 0.0003383700000000, 0.0014229200000000, 0.0011689800000000 ] - [ -0.0000914500000000, 0.0002110400000000, -0.0000080700000000 ] - [ -0.0000691600000000, -0.0001268000000000, 0.0000159400000000 ] - [ 0.0008952400000000, 0.0010295000000000, 0.0006753500000000 ] - [ 0.0000901500000000, -0.0000148500000000, -0.0000179100000000 ] - [ -0.0000233200000000, 0.0000651300000000, -0.0000155700000000 ] - [ -0.0000481300000000, 0.0001425600000000, 0.0001159400000000 ] - [ -0.0000512200000000, -0.0001502500000000, 0.0001201200000000 ] - [ 0.0002794100000000, -0.0004532200000000, -0.0002772400000000 ] - [ 0.0001454800000000, 0.0000938700000000, -0.0000319000000000 ] - [ -0.0005200200000000, -0.0001611200000000, -0.0000003900000000 ] - [ 0.0000073700000000, 0.0001335900000000, -0.0000154900000000 ] - [ -0.0000534700000000, 0.0001425300000000, -0.0001508100000000 ] - [ -0.0001043700000000, 0.0000077800000000, -0.0002467600000000 ] - [ -0.0001385100000000, -0.0000199100000000, -0.0000553400000000 ] - [ -0.0001098600000000, -0.0000634400000000, 0.0000477700000000 ] - [ -0.0001843900000000, 0.0003313500000000, -0.0001469100000000 ] - [ -0.0000617300000000, -0.0002691900000000, 0.0000150400000000 ] - [ 0.0002730600000000, -0.0002063500000000, 0.0003996900000000 ] - [ -0.0003749600000000, 0.0009031700000000, -0.0008573400000000 ] - [ 0.0084701200000000, 0.0335804700000000, -0.0203264300000000 ] - [ 0.0001969100000000, -0.0000889000000000, 0.0002288700000000 ] - [ 0.0003394400000000, -0.0003654800000000, -0.0003624700000000 ] - [ 0.0002734200000000, -0.0004079700000000, -0.0008162900000000 ] - [ 0.0020950600000000, 0.0100634700000000, -0.0000997800000000 ] - [ 0.0000317200000000, 0.0000570700000000, 0.0006021000000000 ] - [ -0.0002268100000000, -0.0008447400000000, 0.0002003400000000 ] - [ 0.0002693700000000, -0.0015851600000000, 0.0019244200000000 ] - [ -0.0009907500000000, 0.0007230400000000, -0.0007813300000000 ] - [ 0.0000199900000000, 0.0000044400000000, -0.0000652400000000 ] - [ -0.0001363700000000, 0.0000388000000000, 0.0001409300000000 ] - [ -0.0005422600000000, -0.0000911500000000, -0.0001895600000000 ] - [ -0.0000158900000000, -0.0001316100000000, 0.0000506500000000 ] - [ -0.0001247300000000, 0.0002129200000000, -0.0000832700000000 ] - [ -0.0000746000000000, -0.0001752100000000, 0.0000566000000000 ] - [ 0.0000181000000000, -0.0000170400000000, 0.0000738600000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000599400000000, 0.0000231600000000, -0.0000750000000000 ] - [ 0.0000823100000000, -0.0000057900000000, -0.0000688400000000 ] - [ -0.0001330000000000, 0.0001382800000000, 0.0000157800000000 ] - [ -0.0005183900000000, -0.0003407600000000, 0.0005217500000000 ] - [ 0.0000587900000000, -0.0001950900000000, -0.0000158500000000 ] - [ 0.0000546600000000, 0.0001712400000000, 0.0000084600000000 ] - [ -0.0001472200000000, -0.0000242000000000, -0.0000634200000000 ] - [ -0.0001086100000000, 0.0000619300000000, 0.0000072300000000 ] - [ -0.0000164300000000, -0.0004245700000000, -0.0000548800000000 ] - [ 0.0000430200000000, 0.0003071600000000, -0.0000686900000000 ] - [ 0.0000399300000000, -0.0001770800000000, 0.0000989100000000 ] - [ 0.0000346500000000, 0.0001651000000000, 0.0001420400000000 ] - [ -0.0000266600000000, 0.0000363300000000, 0.0002059800000000 ] - [ -0.0000232200000000, 0.0000269100000000, 0.0001703700000000 ] - [ -0.0000445000000000, -0.0002306800000000, 0.0000836000000000 ] - [ 0.0000001500000000, 0.0001913900000000, 0.0000979300000000 ] - [ -0.0020713800000000, 0.0001146600000000, 0.0010806800000000 ] - [ 0.0000528700000000, 0.0001581700000000, 0.0001428700000000 ] - [ 0.0001191800000000, -0.0001848000000000, 0.0002271300000000 ] - [ 0.0000649200000000, 0.0001417500000000, 0.0002607000000000 ] - [ -0.0016562900000000, -0.0060802400000000, 0.0014563300000000 ] - [ -0.0000332100000000, -0.0001407200000000, 0.0000652300000000 ] - [ 0.0007456400000000, -0.0005002400000000, -0.0033344700000000 ] - [ -0.0002240900000000, 0.0001428900000000, 0.0000072400000000 ] - [ 0.0000680900000000, -0.0014955400000000, 0.0006131000000000 ] - [ -0.0000773200000000, 0.0002619900000000, -0.0000750600000000 ] - [ 0.0110710500000000, 0.0552204100000000, -0.0191895400000000 ] - [ -0.0000732100000000, 0.0000988700000000, 0.0001456800000000 ] - [ 0.0000227000000000, -0.0002382700000000, -0.0003140100000000 ] - [ 0.0001383300000000, -0.0002343900000000, 0.0000898300000000 ] - [ 0.0029506900000000, -0.0041323700000000, 0.0010600900000000 ] - [ -0.0000442000000000, 0.0000252000000000, 0.0000873300000000 ] - [ 0.0000958000000000, 0.0001861900000000, 0.0000357500000000 ] - [ -0.0000156700000000, -0.0002113100000000, -0.0001102900000000 ] - [ -0.0003235300000000, -0.0013064100000000, 0.0013094400000000 ] - [ 0.0004811800000000, 0.0009417000000000, -0.0007416100000000 ] - [ -0.0011681800000000, 0.0001216000000000, -0.0006352400000000 ] - [ -0.0000864500000000, -0.0000461900000000, -0.0000276200000000 ] - [ -0.0001290100000000, -0.0001532600000000, -0.0000362700000000 ] - [ 0.0000151900000000, 0.0000229600000000, 0.0000356600000000 ] - [ -0.0001759200000000, 0.0000353000000000, 0.0000425900000000 ] - [ -0.0000610400000000, 0.0000268100000000, -0.0000441500000000 ] - [ 0.0001636800000000, -0.0001660700000000, -0.0000017900000000 ] - [ 0.0002631500000000, 0.0000532200000000, 0.0000256800000000 ] - [ 0.0000194100000000, -0.0000041700000000, -0.0000791100000000 ] - [ 0.0000079000000000, -0.0000380900000000, -0.0000994800000000 ] - [ 0.0000330600000000, 0.0002225900000000, -0.0000968500000000 ] - [ 0.0000210200000000, -0.0001619200000000, -0.0000399600000000 ] - [ 0.0000661900000000, -0.0001486200000000, -0.0000768500000000 ] - [ 0.0001325800000000, 0.0001073800000000, -0.0000104100000000 ] - [ 0.0002011100000000, 0.0000025700000000, 0.0000696300000000 ] - [ 0.0000960200000000, 0.0000549900000000, 0.0000892500000000 ] - [ -0.0006031900000000, -0.0014681100000000, -0.0009294800000000 ] - [ -0.0001835800000000, -0.0001405600000000, 0.0002306000000000 ] - [ -0.0000442600000000, 0.0000214200000000, -0.0000029800000000 ] - [ -0.0010268400000000, -0.0009412600000000, -0.0006757700000000 ] - [ 0.0000488400000000, -0.0000520000000000, 0.0000007200000000 ] - [ 0.0001617800000000, 0.0000005700000000, -0.0000012100000000 ] - [ -0.0000558800000000, 0.0001627100000000, 0.0001182200000000 ] - [ -0.0000526200000000, -0.0001548300000000, 0.0001137900000000 ] - [ -0.0001081000000000, 0.0001409300000000, 0.0000620000000000 ] - [ 0.0000244300000000, 0.0002178000000000, -0.0001810500000000 ] - [ 0.0004806500000000, -0.0000435900000000, -0.0001450400000000 ] - [ -0.0000489400000000, 0.0000667800000000, -0.0001304900000000 ] - [ -0.0002832000000000, 0.0000700200000000, -0.0002318600000000 ] - [ -0.0002356100000000, -0.0002231200000000, -0.0001362500000000 ] - [ -0.0000535200000000, 0.0001775700000000, 0.0000254900000000 ] - [ -0.0000826400000000, -0.0000947100000000, -0.0000751100000000 ] - [ 0.0002554100000000, -0.0001840500000000, 0.0000246100000000 ] - [ 0.0001277100000000, 0.0001211900000000, -0.0001383500000000 ] - [ -0.0002415800000000, 0.0002419500000000, -0.0004717200000000 ] - [ 0.0003938900000000, -0.0009501100000000, 0.0007909000000000 ] - [ -0.0076991000000000, -0.0320702000000000, 0.0193930800000000 ] - [ 0.0000025700000000, 0.0001167700000000, -0.0001940700000000 ] - [ -0.0000200500000000, 0.0004273400000000, 0.0001697700000000 ] - [ 0.0000504400000000, 0.0003687400000000, 0.0005939500000000 ] - [ -0.0023037100000000, -0.0103122700000000, 0.0002182800000000 ] - [ -0.0002279600000000, 0.0001993600000000, -0.0005000500000000 ] - [ 0.0002365500000000, 0.0010047300000000, -0.0001409300000000 ] - [ -0.0002498000000000, 0.0014297600000000, -0.0018665700000000 ] - [ 0.0011377700000000, -0.0008112000000000, 0.0006755500000000 ] - [ 0.0001383500000000, 0.0000917500000000, -0.0000364500000000 ] - [ -0.0000647300000000, 0.0000226900000000, -0.0000848900000000 ] - [ 0.0003493400000000, 0.0000264500000000, 0.0002474500000000 ] - [ -0.0000443300000000, -0.0000637300000000, 0.0000264000000000 ] - [ 0.0000629900000000, -0.0000141200000000, 0.0001581400000000 ] - [ 0.0001030500000000, 0.0001379900000000, 0.0000867000000000 ] - [ 0.0000102000000000, 0.0000574200000000, 0.0000697400000000 ]- atom: 27 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000674800000000, -0.0000087600000000, -0.0000601600000000 ] - [ 0.0000458900000000, -0.0000240000000000, -0.0001080700000000 ] - [ -0.0001637400000000, 0.0001488400000000, -0.0000501100000000 ] - [ 0.0000515500000000, -0.0003737700000000, 0.0007822800000000 ] - [ 0.0000651500000000, -0.0001674700000000, -0.0000993800000000 ] - [ 0.0000520500000000, 0.0001932300000000, 0.0001104400000000 ] - [ -0.0000555700000000, -0.0000144900000000, -0.0001189300000000 ] - [ -0.0001058200000000, 0.0000967400000000, 0.0000560500000000 ] - [ -0.0000160300000000, -0.0003799200000000, -0.0000663100000000 ] - [ 0.0001004300000000, 0.0003720700000000, -0.0000104900000000 ] - [ -0.0000022400000000, -0.0001221000000000, 0.0000776500000000 ] - [ 0.0000369400000000, 0.0001310200000000, 0.0002195700000000 ] - [ 0.0008256700000000, 0.0000372300000000, 0.0005315800000000 ] - [ -0.0001256800000000, 0.0000977500000000, 0.0001304000000000 ] - [ -0.0000410700000000, -0.0002312600000000, 0.0000487400000000 ] - [ 0.0000128800000000, 0.0001782700000000, 0.0001964600000000 ] - [ -0.0008740300000000, 0.0002409300000000, 0.0004631900000000 ] - [ 0.0000724100000000, 0.0001565100000000, 0.0002044200000000 ] - [ 0.0001183700000000, 0.0000072500000000, 0.0002742400000000 ] - [ -0.0001055800000000, -0.0000219700000000, 0.0003189500000000 ] - [ -0.0022586300000000, -0.0046666100000000, -0.0007349000000000 ] - [ -0.0000645000000000, -0.0000240700000000, 0.0001994400000000 ] - [ -0.0023870700000000, 0.0007122500000000, 0.0023462100000000 ] - [ -0.0003118100000000, -0.0000245300000000, 0.0000617900000000 ] - [ -0.0001978600000000, -0.0006612300000000, 0.0003733400000000 ] - [ -0.0001450800000000, 0.0000851700000000, -0.0000123500000000 ] - [ -0.0112808100000000, 0.0195568800000000, -0.0863868000000000 ] - [ -0.0000936000000000, 0.0002302000000000, 0.0004398600000000 ] - [ -0.0000027100000000, -0.0000899100000000, -0.0003299300000000 ] - [ 0.0002035900000000, -0.0003913100000000, 0.0004744100000000 ] - [ 0.0000599400000000, 0.0010130900000000, -0.0009129800000000 ] - [ -0.0000662900000000, -0.0000201600000000, 0.0001995900000000 ] - [ 0.0000917700000000, 0.0000170100000000, -0.0001136000000000 ] - [ -0.0000304300000000, -0.0001158300000000, -0.0000528400000000 ] - [ -0.0002716800000000, -0.0016412200000000, 0.0012297400000000 ] - [ 0.0039283300000000, 0.0040216900000000, 0.0056016300000000 ] - [ 0.0019748600000000, -0.0004060200000000, -0.0006191900000000 ] - [ -0.0001687500000000, 0.0000296300000000, 0.0000953900000000 ] - [ -0.0001685700000000, -0.0001372400000000, -0.0000725600000000 ] - [ 0.0000110500000000, -0.0000424200000000, -0.0001063500000000 ] - [ -0.0003685200000000, 0.0000714100000000, 0.0000943900000000 ] - [ 0.0000405200000000, 0.0001048700000000, -0.0000499400000000 ] - [ 0.0002211900000000, -0.0000274400000000, -0.0000408400000000 ] - [ 0.0003291900000000, 0.0000943800000000, 0.0001113800000000 ] - [ 0.0000382700000000, 0.0000045500000000, -0.0000770000000000 ] - [ -0.0000068300000000, -0.0000228300000000, -0.0000886000000000 ] - [ 0.0001491100000000, 0.0003244300000000, -0.0001155600000000 ] - [ 0.0000941800000000, -0.0002776300000000, -0.0000320300000000 ] - [ 0.0001181900000000, -0.0001525800000000, -0.0001453700000000 ] - [ 0.0002063900000000, 0.0000030900000000, 0.0001707700000000 ] - [ 0.0002312900000000, -0.0000566600000000, -0.0000035500000000 ] - [ -0.0000194200000000, 0.0000689900000000, 0.0002299100000000 ] - [ 0.0000622400000000, 0.0013123600000000, 0.0001433900000000 ] - [ -0.0001883600000000, -0.0001527200000000, 0.0002392100000000 ] - [ 0.0000112800000000, 0.0000410200000000, 0.0003292000000000 ] - [ 0.0000701200000000, 0.0007169900000000, -0.0005272300000000 ] - [ 0.0000330200000000, -0.0000249200000000, 0.0000682400000000 ] - [ 0.0001881600000000, 0.0000093000000000, -0.0001550400000000 ] - [ -0.0000246300000000, 0.0001292800000000, 0.0000179000000000 ] - [ -0.0000601500000000, -0.0001501200000000, 0.0001674400000000 ] - [ 0.0001736200000000, -0.0001710600000000, 0.0000023900000000 ] - [ -0.0000589500000000, 0.0003130200000000, -0.0003112600000000 ] - [ 0.0006252300000000, 0.0000859300000000, 0.0001962800000000 ] - [ -0.0004907500000000, -0.0000660200000000, -0.0004774200000000 ] - [ -0.0006932800000000, 0.0004148400000000, -0.0002258000000000 ] - [ -0.0001782900000000, -0.0002488300000000, -0.0001940000000000 ] - [ -0.0000727300000000, 0.0001446800000000, 0.0002370000000000 ] - [ -0.0000630900000000, 0.0000010400000000, -0.0003656800000000 ] - [ -0.0003561700000000, -0.0003140500000000, -0.0003794000000000 ] - [ 0.0001900500000000, 0.0000041600000000, -0.0001092200000000 ] - [ -0.0002581700000000, 0.0003974100000000, -0.0004796800000000 ] - [ -0.0001103100000000, -0.0005740500000000, 0.0015471100000000 ] - [ -0.0023258900000000, -0.0204038400000000, 0.0260220500000000 ] - [ 0.0000197400000000, -0.0000605900000000, -0.0004801800000000 ] - [ 0.0004631700000000, -0.0003077500000000, -0.0000827700000000 ] - [ 0.0003216800000000, 0.0012627300000000, -0.0018580700000000 ] - [ 0.0123572400000000, 0.0001339700000000, 0.0513007400000000 ] - [ -0.0001356400000000, 0.0003708800000000, -0.0010150400000000 ] - [ 0.0003718600000000, 0.0010558200000000, 0.0004639600000000 ] - [ -0.0003263400000000, -0.0005277600000000, -0.0010077000000000 ] - [ 0.0002804200000000, -0.0013059600000000, 0.0022484800000000 ] - [ 0.0002139100000000, 0.0000431000000000, -0.0001474900000000 ] - [ -0.0000749600000000, 0.0001735200000000, -0.0004481400000000 ] - [ -0.0000266800000000, -0.0000874300000000, 0.0002050800000000 ] - [ -0.0001034300000000, -0.0001048300000000, -0.0001418400000000 ] - [ 0.0002612900000000, -0.0000747200000000, 0.0004404400000000 ] - [ 0.0000835400000000, 0.0000814100000000, 0.0001510000000000 ] - [ 0.0000068800000000, -0.0000128500000000, -0.0000079400000000 ]- atom: 27 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000735200000000, -0.0000109300000000, -0.0000767800000000 ] - [ 0.0000947300000000, 0.0000434100000000, -0.0000289100000000 ] - [ -0.0000944800000000, 0.0000240500000000, 0.0001188800000000 ] - [ -0.0003148200000000, 0.0002236600000000, -0.0007292400000000 ] - [ 0.0000569900000000, -0.0001702700000000, 0.0000721100000000 ] - [ 0.0000695600000000, 0.0001451400000000, -0.0001360300000000 ] - [ -0.0001221800000000, -0.0001522000000000, 0.0001285800000000 ] - [ -0.0000726900000000, 0.0000701900000000, -0.0000446400000000 ] - [ 0.0001542600000000, -0.0001973400000000, -0.0000548800000000 ] - [ 0.0000386100000000, 0.0002042600000000, -0.0001108600000000 ] - [ 0.0000514600000000, -0.0001471000000000, 0.0001709000000000 ] - [ 0.0000125000000000, 0.0001389400000000, 0.0000296400000000 ] - [ -0.0009248200000000, -0.0002082000000000, -0.0002262300000000 ] - [ 0.0000157700000000, 0.0000746800000000, 0.0001709800000000 ] - [ 0.0001143400000000, -0.0001275600000000, 0.0001218800000000 ] - [ 0.0000602600000000, 0.0001806600000000, -0.0000247700000000 ] - [ 0.0008312800000000, -0.0006616700000000, -0.0003120900000000 ] - [ -0.0000967300000000, 0.0002489200000000, -0.0000668300000000 ] - [ 0.0000152500000000, -0.0000120800000000, 0.0002103500000000 ] - [ 0.0002364000000000, 0.0000236400000000, 0.0001694000000000 ] - [ 0.0021081000000000, 0.0047095500000000, 0.0009023100000000 ] - [ -0.0001052100000000, -0.0000015500000000, -0.0000532500000000 ] - [ 0.0020238200000000, -0.0011430300000000, -0.0023440200000000 ] - [ -0.0000857800000000, 0.0004261200000000, -0.0000252600000000 ] - [ 0.0001671200000000, 0.0005036900000000, -0.0006454900000000 ] - [ 0.0001158100000000, 0.0000766700000000, -0.0002495600000000 ] - [ 0.0119039600000000, -0.0198182600000000, 0.0890439900000000 ] - [ -0.0000712500000000, -0.0000018400000000, -0.0003747700000000 ] - [ 0.0001306300000000, 0.0001765700000000, 0.0000144100000000 ] - [ -0.0000740900000000, 0.0003025000000000, -0.0007896700000000 ] - [ -0.0001057900000000, -0.0012218000000000, 0.0009529500000000 ] - [ 0.0000033000000000, 0.0001885200000000, -0.0001613900000000 ] - [ -0.0000999700000000, 0.0001964000000000, -0.0000077600000000 ] - [ 0.0000210000000000, -0.0001005800000000, -0.0000711200000000 ] - [ 0.0003573000000000, 0.0018794100000000, -0.0010879300000000 ] - [ -0.0038814100000000, -0.0043404000000000, -0.0055640000000000 ] - [ -0.0020551900000000, 0.0003955100000000, 0.0004129200000000 ] - [ 0.0000977400000000, -0.0000230500000000, -0.0003188100000000 ] - [ 0.0000315600000000, 0.0000743100000000, 0.0000056700000000 ] - [ -0.0001451500000000, 0.0001027900000000, 0.0000435200000000 ] - [ 0.0002891600000000, -0.0001461200000000, -0.0001279200000000 ] - [ -0.0001178900000000, -0.0000289800000000, 0.0000173200000000 ] - [ 0.0002851800000000, -0.0000438500000000, 0.0000459000000000 ] - [ 0.0001771100000000, -0.0000224800000000, -0.0001057700000000 ] - [ -0.0000318300000000, 0.0000923900000000, -0.0000791500000000 ] - [ 0.0000130800000000, -0.0000743700000000, -0.0000684600000000 ] - [ -0.0000607800000000, 0.0000908100000000, -0.0000126600000000 ] - [ -0.0000047100000000, -0.0001390900000000, -0.0000971800000000 ] - [ 0.0001678400000000, -0.0000516700000000, 0.0000692200000000 ] - [ 0.0000786500000000, 0.0002006300000000, -0.0002448800000000 ] - [ 0.0000855200000000, 0.0000335400000000, 0.0001628800000000 ] - [ 0.0003317900000000, -0.0000444600000000, -0.0000677000000000 ] - [ -0.0003330400000000, -0.0013714900000000, 0.0000845500000000 ] - [ -0.0000865400000000, 0.0002180000000000, -0.0000120600000000 ] - [ -0.0001233500000000, -0.0001446100000000, -0.0003169600000000 ] - [ -0.0001850300000000, -0.0006202600000000, 0.0005438200000000 ] - [ 0.0001060400000000, -0.0000416900000000, -0.0000846500000000 ] - [ -0.0000466200000000, 0.0000566100000000, 0.0001360800000000 ] - [ -0.0000782100000000, 0.0001751800000000, 0.0002138800000000 ] - [ -0.0000439000000000, -0.0001552700000000, 0.0000669100000000 ] - [ -0.0000060100000000, -0.0001374500000000, -0.0002132900000000 ] - [ 0.0002280400000000, -0.0000009600000000, 0.0000950400000000 ] - [ -0.0006629000000000, -0.0002861600000000, -0.0003365100000000 ] - [ 0.0004566000000000, 0.0002693400000000, 0.0003317800000000 ] - [ 0.0003457200000000, -0.0001928400000000, -0.0001545800000000 ] - [ -0.0001634500000000, 0.0000286700000000, -0.0001874300000000 ] - [ -0.0001201600000000, 0.0000110700000000, -0.0002669600000000 ] - [ -0.0001287500000000, -0.0001565500000000, 0.0003297600000000 ] - [ 0.0004180700000000, 0.0004530400000000, 0.0002545300000000 ] - [ -0.0001235100000000, -0.0001478600000000, -0.0000130900000000 ] - [ 0.0002879200000000, -0.0003588600000000, 0.0004109700000000 ] - [ 0.0001678900000000, 0.0005431600000000, -0.0016698300000000 ] - [ 0.0026022100000000, 0.0208481400000000, -0.0261998200000000 ] - [ 0.0001780500000000, 0.0000917700000000, 0.0005051900000000 ] - [ -0.0001366400000000, 0.0003605700000000, -0.0001065400000000 ] - [ -0.0000083300000000, -0.0013313000000000, 0.0016723100000000 ] - [ -0.0134006100000000, -0.0007364600000000, -0.0534388900000000 ] - [ -0.0000543200000000, -0.0001102600000000, 0.0011101900000000 ] - [ -0.0003621400000000, -0.0008876100000000, -0.0003918100000000 ] - [ 0.0003346200000000, 0.0003738200000000, 0.0010560600000000 ] - [ -0.0001292100000000, 0.0012312100000000, -0.0023676400000000 ] - [ -0.0000528100000000, 0.0000549800000000, 0.0000441900000000 ] - [ -0.0001223100000000, -0.0001109800000000, 0.0005004400000000 ] - [ -0.0001765700000000, 0.0000248200000000, -0.0001514400000000 ] - [ 0.0000374600000000, -0.0000910900000000, 0.0002174600000000 ] - [ -0.0003245400000000, 0.0002701600000000, -0.0003570200000000 ] - [ -0.0000606200000000, -0.0001163600000000, -0.0000098500000000 ] - [ 0.0000180800000000, 0.0000494300000000, 0.0001493900000000 ]- atom: 29 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000077700000000, 0.0000120400000000, -0.0000940700000000 ] - [ 0.0000488000000000, 0.0000175800000000, -0.0000602700000000 ] - [ -0.0007133500000000, -0.0001918800000000, 0.0002687100000000 ] - [ -0.0001172900000000, -0.0001027600000000, 0.0000096300000000 ] - [ 0.0001241700000000, -0.0001906200000000, -0.0000403600000000 ] - [ 0.0000776000000000, 0.0001707300000000, -0.0000087400000000 ] - [ -0.0000352000000000, -0.0000868300000000, -0.0000116700000000 ] - [ -0.0000514000000000, 0.0001008100000000, 0.0000310200000000 ] - [ 0.0001553600000000, -0.0002074000000000, -0.0000488800000000 ] - [ 0.0001866800000000, 0.0001877800000000, -0.0000529700000000 ] - [ 0.0000524300000000, -0.0001549000000000, 0.0001112500000000 ] - [ 0.0000399200000000, 0.0001380900000000, 0.0001263800000000 ] - [ 0.0000348600000000, -0.0001278200000000, 0.0001658800000000 ] - [ -0.0000019400000000, 0.0000842100000000, 0.0001673800000000 ] - [ 0.0001300900000000, -0.0001756400000000, 0.0000928100000000 ] - [ 0.0001090200000000, 0.0001472900000000, 0.0000954300000000 ] - [ -0.0000558000000000, -0.0002033100000000, 0.0000405600000000 ] - [ -0.0000833400000000, 0.0002975700000000, 0.0002160200000000 ] - [ 0.0034312000000000, 0.0018011900000000, 0.0031763000000000 ] - [ 0.0000419500000000, -0.0000223400000000, 0.0002482800000000 ] - [ 0.0003785400000000, -0.0008530800000000, -0.0006896800000000 ] - [ 0.0013320600000000, -0.0009605000000000, 0.0024777000000000 ] - [ -0.0002130500000000, -0.0001826300000000, 0.0000153200000000 ] - [ -0.0002296000000000, 0.0003055000000000, 0.0001574900000000 ] - [ 0.0005602800000000, 0.0013391000000000, 0.0013003200000000 ] - [ -0.0000295200000000, 0.0000942300000000, -0.0001073400000000 ] - [ -0.0001097200000000, -0.0000738400000000, -0.0000315500000000 ] - [ -0.0000150700000000, 0.0001887800000000, 0.0001723300000000 ] - [ -0.0294283400000000, 0.0090298000000000, -0.0062680400000000 ] - [ 0.0000594000000000, -0.0000557700000000, -0.0001312600000000 ] - [ -0.0002211500000000, 0.0008217300000000, 0.0004028000000000 ] - [ -0.0001165000000000, -0.0000167300000000, -0.0000882100000000 ] - [ -0.0000491100000000, 0.0001887200000000, -0.0000255900000000 ] - [ -0.0004057200000000, -0.0005192000000000, -0.0024205500000000 ] - [ 0.0002766000000000, 0.0000618200000000, -0.0007529900000000 ] - [ 0.0000333800000000, -0.0001554800000000, 0.0000902000000000 ] - [ -0.0000540900000000, -0.0000217300000000, -0.0000886500000000 ] - [ -0.0001505000000000, 0.0000191500000000, -0.0002121900000000 ] - [ 0.0027198800000000, -0.0025345200000000, -0.0039128900000000 ] - [ -0.0000555200000000, 0.0000494200000000, -0.0000030900000000 ] - [ -0.0000176400000000, -0.0000211600000000, -0.0000389000000000 ] - [ -0.0000357400000000, 0.0000186200000000, 0.0000324400000000 ] - [ 0.0012834800000000, -0.0003541000000000, 0.0006246500000000 ] - [ 0.0003040800000000, 0.0000741700000000, 0.0000253200000000 ] - [ 0.0000278900000000, 0.0000433200000000, -0.0000428600000000 ] - [ 0.0001561100000000, 0.0001107300000000, -0.0001966400000000 ] - [ 0.0000422500000000, 0.0001314500000000, -0.0000243500000000 ] - [ 0.0000846200000000, -0.0002419900000000, -0.0000799200000000 ] - [ 0.0002271400000000, -0.0000879900000000, 0.0000064500000000 ] - [ 0.0001584400000000, 0.0000887800000000, -0.0000221800000000 ] - [ 0.0002387900000000, 0.0000286100000000, 0.0000639900000000 ] - [ 0.0001552300000000, -0.0000077100000000, 0.0000977400000000 ] - [ 0.0003834600000000, -0.0008065500000000, 0.0002769100000000 ] - [ -0.0000779000000000, -0.0000037400000000, 0.0002341900000000 ] - [ -0.0000674700000000, -0.0000212800000000, 0.0000072800000000 ] - [ 0.0000990400000000, -0.0006684000000000, 0.0002379400000000 ] - [ 0.0000491400000000, -0.0000461600000000, -0.0000200700000000 ] - [ 0.0001337200000000, 0.0001174400000000, 0.0000250300000000 ] - [ -0.0000368300000000, 0.0001557500000000, 0.0001020300000000 ] - [ -0.0000575000000000, -0.0001598500000000, 0.0001392700000000 ] - [ 0.0044006500000000, 0.0014551900000000, -0.0009090600000000 ] - [ 0.0001031100000000, 0.0001604900000000, -0.0001252200000000 ] - [ 0.0000025100000000, -0.0000347000000000, -0.0000387300000000 ] - [ 0.0000018000000000, 0.0001126600000000, -0.0001103500000000 ] - [ -0.0002667000000000, 0.0000537000000000, -0.0002223500000000 ] - [ -0.0001802400000000, -0.0000656700000000, -0.0002098400000000 ] - [ -0.0003343000000000, 0.0000439700000000, 0.0001011400000000 ] - [ -0.0001417000000000, -0.0000573400000000, -0.0000670200000000 ] - [ -0.0002245800000000, 0.0001822200000000, -0.0000813100000000 ] - [ -0.0001168400000000, -0.0001155200000000, -0.0000274900000000 ] - [ 0.0011423600000000, 0.0002162900000000, -0.0008248700000000 ] - [ 0.0000286100000000, -0.0000469000000000, -0.0000341700000000 ] - [ 0.0004722400000000, 0.0000236800000000, 0.0002048600000000 ] - [ -0.0004767500000000, 0.0001747800000000, 0.0004809100000000 ] - [ 0.0076288700000000, -0.0005760700000000, 0.0092049900000000 ] - [ 0.0002955000000000, -0.0000024700000000, -0.0000947500000000 ] - [ 0.0000531500000000, -0.0000086600000000, 0.0000656600000000 ] - [ -0.0008716500000000, -0.0003500200000000, -0.0006188400000000 ] - [ 0.0070670400000000, -0.0084432900000000, -0.0025201600000000 ] - [ -0.0000122800000000, -0.0000689500000000, -0.0000433400000000 ] - [ 0.0000343400000000, -0.0002207000000000, -0.0003331700000000 ] - [ 0.0016048300000000, 0.0009807700000000, 0.0003824700000000 ] - [ -0.0000665900000000, 0.0000286700000000, 0.0000420300000000 ] - [ -0.0001689900000000, 0.0003519800000000, -0.0002136200000000 ] - [ -0.0000309400000000, -0.0000952100000000, -0.0000037900000000 ] - [ -0.0001162200000000, -0.0000231700000000, 0.0000882100000000 ] - [ -0.0003718600000000, -0.0002452900000000, 0.0000132800000000 ] - [ -0.0001694200000000, 0.0000010100000000, 0.0001294000000000 ]- atom: 29 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0001332200000000, -0.0000320900000000, -0.0000420000000000 ] - [ 0.0000918700000000, 0.0000022600000000, -0.0000761300000000 ] - [ 0.0004486200000000, 0.0003632900000000, -0.0001993300000000 ] - [ -0.0001405300000000, -0.0000690800000000, 0.0000598200000000 ] - [ -0.0000028000000000, -0.0001471400000000, 0.0000148100000000 ] - [ 0.0000439400000000, 0.0001675600000000, -0.0000167400000000 ] - [ -0.0001434400000000, -0.0000804400000000, 0.0000232000000000 ] - [ -0.0001276500000000, 0.0000655500000000, -0.0000206000000000 ] - [ -0.0000183000000000, -0.0003708600000000, -0.0000719200000000 ] - [ -0.0000483300000000, 0.0003879800000000, -0.0000680300000000 ] - [ -0.0000035600000000, -0.0001142700000000, 0.0001380700000000 ] - [ 0.0000088300000000, 0.0001311300000000, 0.0001230900000000 ] - [ -0.0001444400000000, -0.0000447600000000, 0.0001356700000000 ] - [ -0.0001082600000000, 0.0000884300000000, 0.0001339700000000 ] - [ -0.0000578300000000, -0.0001830500000000, 0.0000793700000000 ] - [ -0.0000374000000000, 0.0002121100000000, 0.0000763300000000 ] - [ 0.0000320700000000, -0.0002035000000000, 0.0000974000000000 ] - [ 0.0000573200000000, 0.0001095100000000, -0.0000776200000000 ] - [ -0.0032050800000000, -0.0017880800000000, -0.0026188900000000 ] - [ 0.0000914400000000, 0.0000278900000000, 0.0002360100000000 ] - [ -0.0005420000000000, 0.0008635300000000, 0.0008212700000000 ] - [ -0.0015033200000000, 0.0009583400000000, -0.0023514800000000 ] - [ -0.0001831100000000, -0.0002235000000000, 0.0000217400000000 ] - [ -0.0001663700000000, 0.0001014000000000, -0.0001205200000000 ] - [ -0.0005952200000000, -0.0014831300000000, -0.0015687600000000 ] - [ 0.0000001300000000, 0.0000643400000000, -0.0001632100000000 ] - [ -0.0000551600000000, -0.0001568000000000, 0.0000967100000000 ] - [ -0.0001495200000000, 0.0000393600000000, -0.0001113200000000 ] - [ 0.0296845100000000, -0.0087773600000000, 0.0057105600000000 ] - [ 0.0000702100000000, -0.0000333700000000, -0.0001829300000000 ] - [ 0.0001623500000000, -0.0009936500000000, -0.0003664700000000 ] - [ 0.0000542600000000, 0.0001844000000000, 0.0001274200000000 ] - [ 0.0000398600000000, 0.0000270700000000, -0.0000985700000000 ] - [ 0.0004045900000000, 0.0002923600000000, 0.0023014700000000 ] - [ -0.0001647300000000, 0.0001622500000000, 0.0008785000000000 ] - [ 0.0000606700000000, -0.0001129200000000, 0.0000369500000000 ] - [ -0.0000167600000000, 0.0000124700000000, -0.0001346800000000 ] - [ 0.0000803600000000, -0.0000094300000000, -0.0000102500000000 ] - [ -0.0029247600000000, 0.0025260300000000, 0.0039057700000000 ] - [ -0.0000821200000000, 0.0000122400000000, -0.0000653200000000 ] - [ -0.0000567800000000, -0.0000555200000000, 0.0000047100000000 ] - [ -0.0000399900000000, 0.0000581100000000, -0.0000665000000000 ] - [ -0.0007973200000000, 0.0002868800000000, -0.0006311700000000 ] - [ 0.0002033500000000, -0.0000021800000000, -0.0000189200000000 ] - [ -0.0000209200000000, 0.0000528400000000, -0.0001138500000000 ] - [ -0.0001497900000000, -0.0002076200000000, 0.0000411100000000 ] - [ 0.0000475300000000, 0.0002859900000000, -0.0001046100000000 ] - [ 0.0000054400000000, -0.0001752800000000, -0.0000489100000000 ] - [ 0.0000588200000000, -0.0001155400000000, -0.0000811200000000 ] - [ 0.0001275600000000, 0.0001146400000000, -0.0000522200000000 ] - [ 0.0000761700000000, -0.0000512600000000, 0.0000975300000000 ] - [ 0.0001604600000000, 0.0000307000000000, 0.0000630900000000 ] - [ -0.0006535000000000, 0.0007325300000000, -0.0000478000000000 ] - [ -0.0001969900000000, 0.0000727600000000, -0.0000112000000000 ] - [ -0.0000449800000000, -0.0000841200000000, 0.0000034900000000 ] - [ -0.0002103600000000, 0.0007790000000000, -0.0002267000000000 ] - [ 0.0000909400000000, -0.0000201300000000, 0.0000027300000000 ] - [ 0.0000047400000000, -0.0000520200000000, -0.0000420500000000 ] - [ -0.0000670700000000, 0.0001493500000000, 0.0001320300000000 ] - [ -0.0000463200000000, -0.0001454200000000, 0.0000945900000000 ] - [ -0.0044581500000000, -0.0018967900000000, 0.0007292200000000 ] - [ 0.0000657300000000, 0.0001509200000000, -0.0000875300000000 ] - [ -0.0000441400000000, -0.0001653300000000, -0.0001083500000000 ] - [ -0.0000411200000000, 0.0000890100000000, -0.0000348100000000 ] - [ -0.0000716600000000, 0.0001627500000000, -0.0001583700000000 ] - [ -0.0001582900000000, -0.0001503700000000, -0.0001710400000000 ] - [ 0.0001449700000000, 0.0001138200000000, -0.0001317100000000 ] - [ -0.0000488300000000, -0.0001010600000000, 0.0000368200000000 ] - [ 0.0002953300000000, -0.0000400100000000, -0.0000427500000000 ] - [ 0.0001859600000000, -0.0000292100000000, -0.0000968900000000 ] - [ -0.0010908100000000, -0.0001845200000000, 0.0007582500000000 ] - [ 0.0000019200000000, 0.0000098500000000, -0.0000356400000000 ] - [ -0.0002761100000000, -0.0000508000000000, -0.0001743300000000 ] - [ 0.0006719500000000, -0.0001377100000000, -0.0004334400000000 ] - [ -0.0073253100000000, 0.0005442300000000, -0.0092387800000000 ] - [ 0.0000250100000000, -0.0000557100000000, -0.0000961400000000 ] - [ -0.0002455400000000, -0.0002476000000000, 0.0000376200000000 ] - [ 0.0006739100000000, 0.0006065100000000, 0.0007319100000000 ] - [ -0.0069879800000000, 0.0086129700000000, 0.0025344200000000 ] - [ 0.0000259500000000, -0.0000921900000000, 0.0001074600000000 ] - [ 0.0001233400000000, 0.0001244200000000, 0.0002325100000000 ] - [ -0.0014478900000000, -0.0008748700000000, -0.0004991200000000 ] - [ -0.0001376900000000, 0.0000343900000000, 0.0000103800000000 ] - [ -0.0000349100000000, -0.0004196000000000, 0.0002688200000000 ] - [ -0.0000318100000000, -0.0000990200000000, 0.0000823200000000 ] - [ 0.0000544600000000, 0.0002186600000000, -0.0000101500000000 ] - [ 0.0004008300000000, 0.0002113800000000, 0.0001295500000000 ] - [ 0.0001963700000000, 0.0000360600000000, 0.0000122400000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000608800000000, 0.0000085900000000, -0.0000760300000000 ] - [ 0.0000510300000000, -0.0000254000000000, -0.0000680300000000 ] - [ -0.0004292200000000, 0.0003174600000000, 0.0004133200000000 ] - [ -0.0001055400000000, -0.0001396400000000, -0.0000109500000000 ] - [ 0.0000815300000000, -0.0001987500000000, -0.0000299200000000 ] - [ 0.0000680100000000, 0.0001683900000000, -0.0000185900000000 ] - [ -0.0001187900000000, -0.0000506100000000, -0.0000271600000000 ] - [ -0.0000883400000000, 0.0000888300000000, 0.0000439900000000 ] - [ 0.0000797300000000, -0.0003192800000000, -0.0000476500000000 ] - [ 0.0000875300000000, 0.0002406100000000, -0.0000810100000000 ] - [ 0.0000262200000000, -0.0001440300000000, 0.0001092400000000 ] - [ 0.0000434000000000, 0.0001932000000000, 0.0001180600000000 ] - [ -0.0001488000000000, 0.0000233700000000, 0.0001372400000000 ] - [ -0.0000318400000000, 0.0000664100000000, 0.0001775200000000 ] - [ -0.0000450400000000, -0.0001937000000000, 0.0001024600000000 ] - [ 0.0000069200000000, 0.0001993100000000, 0.0000544000000000 ] - [ -0.0001289600000000, -0.0001010800000000, 0.0000688300000000 ] - [ 0.0001081700000000, 0.0001668300000000, 0.0001634700000000 ] - [ -0.0004653600000000, 0.0000265800000000, 0.0000946800000000 ] - [ 0.0000001700000000, 0.0000480200000000, 0.0003126800000000 ] - [ -0.0005827600000000, 0.0012905300000000, 0.0012167300000000 ] - [ 0.0005173900000000, -0.0013239100000000, -0.0006529700000000 ] - [ -0.0002261600000000, -0.0000878900000000, -0.0000004700000000 ] - [ -0.0001359300000000, 0.0001546200000000, 0.0001103300000000 ] - [ 0.0025996100000000, 0.0032140900000000, 0.0009294400000000 ] - [ -0.0000413000000000, 0.0001393600000000, -0.0000505000000000 ] - [ -0.0000865700000000, 0.0001717900000000, -0.0001012600000000 ] - [ -0.0000618000000000, 0.0003006800000000, 0.0003789200000000 ] - [ 0.0092369000000000, -0.0577775000000000, -0.0199705700000000 ] - [ 0.0000793600000000, -0.0000354100000000, -0.0000544600000000 ] - [ -0.0000145400000000, 0.0024031600000000, 0.0012804500000000 ] - [ -0.0000912800000000, -0.0001233100000000, 0.0001157600000000 ] - [ -0.0000383900000000, 0.0001786200000000, -0.0000103700000000 ] - [ 0.0010519800000000, 0.0004876600000000, -0.0041673700000000 ] - [ -0.0022689600000000, 0.0056913600000000, 0.0010435900000000 ] - [ 0.0001152400000000, 0.0000083300000000, 0.0000837200000000 ] - [ 0.0000356800000000, 0.0002395600000000, -0.0001448100000000 ] - [ -0.0000457900000000, -0.0001077400000000, -0.0001219400000000 ] - [ -0.0024747800000000, -0.0003441300000000, 0.0009040800000000 ] - [ 0.0000304500000000, 0.0000782000000000, 0.0000747300000000 ] - [ -0.0000858400000000, 0.0000627100000000, -0.0000198300000000 ] - [ -0.0000679800000000, 0.0000141700000000, 0.0000169400000000 ] - [ 0.0005376700000000, -0.0003469300000000, 0.0002603300000000 ] - [ 0.0003250800000000, 0.0001079900000000, 0.0000257400000000 ] - [ 0.0000279300000000, 0.0000022200000000, -0.0000459000000000 ] - [ 0.0001162800000000, 0.0000398500000000, -0.0001723000000000 ] - [ 0.0000092700000000, 0.0001666800000000, -0.0000614200000000 ] - [ -0.0000637900000000, -0.0000556100000000, -0.0000277800000000 ] - [ 0.0000789000000000, -0.0001695400000000, -0.0001287500000000 ] - [ 0.0001170700000000, 0.0001383200000000, -0.0000425100000000 ] - [ 0.0002636300000000, 0.0000705000000000, 0.0000387600000000 ] - [ 0.0001245700000000, 0.0000363600000000, 0.0000883700000000 ] - [ -0.0010866800000000, 0.0009146300000000, -0.0006951300000000 ] - [ -0.0001175000000000, -0.0000880000000000, 0.0001831700000000 ] - [ -0.0001106900000000, 0.0001158700000000, 0.0001206200000000 ] - [ -0.0006106200000000, 0.0013365100000000, -0.0009800700000000 ] - [ -0.0000061200000000, -0.0000918800000000, 0.0000191900000000 ] - [ 0.0001862100000000, 0.0000640500000000, 0.0000188900000000 ] - [ -0.0000565400000000, 0.0001740000000000, 0.0001072400000000 ] - [ -0.0000657800000000, -0.0001675200000000, 0.0001452900000000 ] - [ 0.0007673000000000, 0.0007496200000000, -0.0003309200000000 ] - [ 0.0000503200000000, 0.0002421600000000, -0.0001416100000000 ] - [ 0.0002846900000000, -0.0002756200000000, 0.0001564900000000 ] - [ 0.0000274900000000, 0.0000464400000000, -0.0001525800000000 ] - [ -0.0001135500000000, -0.0000811900000000, -0.0001727800000000 ] - [ -0.0001763300000000, -0.0001589700000000, -0.0002119600000000 ] - [ -0.0000329200000000, 0.0001871000000000, 0.0001480500000000 ] - [ -0.0001074600000000, -0.0001219600000000, -0.0000508700000000 ] - [ 0.0004847600000000, 0.0000537300000000, 0.0001191800000000 ] - [ 0.0000325300000000, -0.0000683300000000, -0.0001570300000000 ] - [ 0.0005122500000000, 0.0005091900000000, 0.0002917200000000 ] - [ 0.0001095600000000, -0.0000832900000000, -0.0000219500000000 ] - [ 0.0006247400000000, -0.0008981600000000, -0.0001764500000000 ] - [ -0.0003012000000000, -0.0008609900000000, -0.0017853000000000 ] - [ -0.0020675900000000, 0.0092205700000000, 0.0001672800000000 ] - [ 0.0001203700000000, -0.0000306800000000, -0.0005979000000000 ] - [ -0.0002459100000000, -0.0004805000000000, 0.0002877400000000 ] - [ 0.0001724800000000, -0.0002755200000000, 0.0010111300000000 ] - [ -0.0060321300000000, 0.0344599500000000, 0.0201906800000000 ] - [ -0.0001024400000000, -0.0002015200000000, -0.0001860900000000 ] - [ -0.0002896200000000, -0.0004013300000000, -0.0008548900000000 ] - [ 0.0004947500000000, 0.0009768300000000, 0.0010359600000000 ] - [ -0.0000436900000000, -0.0001771700000000, -0.0000205600000000 ] - [ 0.0000616300000000, 0.0003474800000000, 0.0000687600000000 ] - [ -0.0000260700000000, -0.0000808300000000, -0.0000317000000000 ] - [ -0.0000657600000000, -0.0000281800000000, 0.0000997400000000 ] - [ -0.0001998100000000, 0.0000274700000000, 0.0000073200000000 ] - [ -0.0001034900000000, 0.0001461200000000, 0.0001580900000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000813200000000, -0.0000275000000000, -0.0000615900000000 ] - [ 0.0000909000000000, 0.0000445500000000, -0.0000694600000000 ] - [ 0.0001680300000000, -0.0001577200000000, -0.0003414000000000 ] - [ -0.0001532600000000, -0.0000338400000000, 0.0000793800000000 ] - [ 0.0000399900000000, -0.0001354400000000, 0.0000012800000000 ] - [ 0.0000534800000000, 0.0001659700000000, -0.0000100700000000 ] - [ -0.0000591000000000, -0.0001180600000000, 0.0000402900000000 ] - [ -0.0000900100000000, 0.0000798200000000, -0.0000298300000000 ] - [ 0.0000610300000000, -0.0002543000000000, -0.0000734100000000 ] - [ 0.0000522300000000, 0.0003349400000000, -0.0000403200000000 ] - [ 0.0000257900000000, -0.0001295600000000, 0.0001381300000000 ] - [ 0.0000083300000000, 0.0000790400000000, 0.0001296100000000 ] - [ 0.0000417400000000, -0.0001957500000000, 0.0001670900000000 ] - [ -0.0000771500000000, 0.0001043400000000, 0.0001266600000000 ] - [ 0.0001165200000000, -0.0001651800000000, 0.0000669500000000 ] - [ 0.0000675100000000, 0.0001589100000000, 0.0001147800000000 ] - [ 0.0001006000000000, -0.0003048500000000, 0.0000648000000000 ] - [ -0.0001362900000000, 0.0002375200000000, -0.0000297000000000 ] - [ 0.0005733900000000, -0.0000341200000000, 0.0003777700000000 ] - [ 0.0001303400000000, -0.0000446200000000, 0.0001750000000000 ] - [ 0.0004256700000000, -0.0012830900000000, -0.0010935300000000 ] - [ -0.0007017600000000, 0.0013095600000000, 0.0007564900000000 ] - [ -0.0001725700000000, -0.0003162800000000, 0.0000367500000000 ] - [ -0.0002627800000000, 0.0002457800000000, -0.0000740800000000 ] - [ -0.0025758000000000, -0.0032894900000000, -0.0011835900000000 ] - [ 0.0000108500000000, 0.0000210000000000, -0.0002177500000000 ] - [ -0.0000786100000000, -0.0003979400000000, 0.0001610700000000 ] - [ -0.0001028900000000, -0.0000742500000000, -0.0003179700000000 ] - [ -0.0085990400000000, 0.0562719200000000, 0.0186953600000000 ] - [ 0.0000526900000000, -0.0000575700000000, -0.0002566400000000 ] - [ -0.0000586700000000, -0.0026376200000000, -0.0012644100000000 ] - [ 0.0000321200000000, 0.0002960200000000, -0.0000771700000000 ] - [ 0.0000333300000000, 0.0000378700000000, -0.0001103300000000 ] - [ -0.0010663000000000, -0.0006991600000000, 0.0040660500000000 ] - [ 0.0023574600000000, -0.0053703700000000, -0.0008916100000000 ] - [ -0.0000176800000000, -0.0002754200000000, 0.0000457400000000 ] - [ -0.0001053800000000, -0.0002487400000000, -0.0000819000000000 ] - [ -0.0000236900000000, 0.0001145300000000, -0.0001056700000000 ] - [ 0.0023202300000000, 0.0002704100000000, -0.0009767500000000 ] - [ -0.0001666200000000, -0.0000188400000000, -0.0001381300000000 ] - [ 0.0000089600000000, -0.0001369900000000, -0.0000106900000000 ] - [ -0.0000086800000000, 0.0000603200000000, -0.0000470300000000 ] - [ -0.0000251600000000, 0.0002737700000000, -0.0002523900000000 ] - [ 0.0001810300000000, -0.0000371100000000, -0.0000215200000000 ] - [ -0.0000252200000000, 0.0000954700000000, -0.0001076600000000 ] - [ -0.0001131600000000, -0.0001366900000000, 0.0000180000000000 ] - [ 0.0000738300000000, 0.0002443900000000, -0.0000642700000000 ] - [ 0.0001471400000000, -0.0003568900000000, -0.0000981700000000 ] - [ 0.0002042900000000, -0.0000379600000000, 0.0000522300000000 ] - [ 0.0001658100000000, 0.0000682400000000, -0.0000334300000000 ] - [ 0.0000537900000000, -0.0000955800000000, 0.0001230200000000 ] - [ 0.0001929900000000, -0.0000126300000000, 0.0000737800000000 ] - [ 0.0008284500000000, -0.0010035200000000, 0.0009335700000000 ] - [ -0.0001587100000000, 0.0001586200000000, 0.0000406400000000 ] - [ -0.0000004200000000, -0.0002182600000000, -0.0001106700000000 ] - [ 0.0004889100000000, -0.0012102600000000, 0.0009723900000000 ] - [ 0.0001429300000000, 0.0000284400000000, -0.0000378000000000 ] - [ -0.0000493900000000, 0.0000008800000000, -0.0000379800000000 ] - [ -0.0000489800000000, 0.0001324500000000, 0.0001249400000000 ] - [ -0.0000399100000000, -0.0001395100000000, 0.0000875100000000 ] - [ -0.0006610000000000, -0.0010803400000000, 0.0001286300000000 ] - [ 0.0001206200000000, 0.0000678200000000, -0.0000718600000000 ] - [ -0.0003241700000000, 0.0000775200000000, -0.0003007000000000 ] - [ -0.0000675400000000, 0.0001552300000000, 0.0000058300000000 ] - [ -0.0002219300000000, 0.0003007600000000, -0.0002069300000000 ] - [ -0.0001585600000000, -0.0000570300000000, -0.0001680900000000 ] - [ -0.0001525900000000, -0.0000278300000000, -0.0001795800000000 ] - [ -0.0000800700000000, -0.0000349700000000, 0.0000176700000000 ] - [ -0.0004205000000000, 0.0000863200000000, -0.0002447400000000 ] - [ 0.0000376700000000, -0.0000773800000000, 0.0000308400000000 ] - [ -0.0004772700000000, -0.0004608700000000, -0.0003586600000000 ] - [ -0.0000838700000000, 0.0000478500000000, -0.0000482200000000 ] - [ -0.0004321100000000, 0.0008637600000000, 0.0002098300000000 ] - [ 0.0004856900000000, 0.0008990500000000, 0.0018181500000000 ] - [ 0.0023949500000000, -0.0091537600000000, -0.0003513200000000 ] - [ 0.0002008000000000, -0.0000317200000000, 0.0004063900000000 ] - [ 0.0000545000000000, 0.0002293900000000, -0.0001851100000000 ] - [ -0.0003678100000000, 0.0005417400000000, -0.0008762100000000 ] - [ 0.0055928700000000, -0.0327396900000000, -0.0191567700000000 ] - [ 0.0001159300000000, 0.0000405600000000, 0.0002510700000000 ] - [ 0.0004496600000000, 0.0002990800000000, 0.0007590700000000 ] - [ -0.0003153800000000, -0.0008869600000000, -0.0011438800000000 ] - [ -0.0001584700000000, 0.0002396500000000, 0.0000712900000000 ] - [ -0.0002678200000000, -0.0004073200000000, -0.0000184600000000 ] - [ -0.0000371600000000, -0.0001130600000000, 0.0001101500000000 ] - [ 0.0000035200000000, 0.0002216200000000, -0.0000183200000000 ] - [ 0.0002231500000000, -0.0000659100000000, 0.0001337300000000 ] - [ 0.0001324200000000, -0.0001131200000000, -0.0000161600000000 ]- atom: 29 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000110800000000, 0.0000256000000000, -0.0001213500000000 ] - [ 0.0000612700000000, 0.0000049900000000, -0.0000552800000000 ] - [ 0.0001630100000000, 0.0005648100000000, 0.0007913800000000 ] - [ -0.0001377900000000, -0.0001393000000000, -0.0000546700000000 ] - [ 0.0001090900000000, -0.0001766900000000, -0.0001020800000000 ] - [ 0.0000578600000000, 0.0001669800000000, 0.0000349200000000 ] - [ -0.0000846900000000, -0.0000532500000000, -0.0000794900000000 ] - [ -0.0000577200000000, 0.0001514300000000, 0.0001646800000000 ] - [ 0.0001494000000000, -0.0001960100000000, -0.0000330800000000 ] - [ 0.0001450400000000, 0.0001781800000000, -0.0000722700000000 ] - [ 0.0000247500000000, -0.0001713700000000, 0.0001198600000000 ] - [ 0.0000482500000000, 0.0001555800000000, 0.0001255800000000 ] - [ -0.0000610800000000, -0.0000889200000000, 0.0001322300000000 ] - [ 0.0000126300000000, 0.0000517100000000, 0.0002164400000000 ] - [ -0.0001434600000000, -0.0002322600000000, 0.0001196700000000 ] - [ 0.0001182200000000, 0.0001488900000000, 0.0000674100000000 ] - [ -0.0001368700000000, -0.0001116700000000, 0.0000473300000000 ] - [ 0.0000721700000000, 0.0002867800000000, 0.0000014700000000 ] - [ 0.0018818200000000, 0.0007048900000000, -0.0001893200000000 ] - [ -0.0000583900000000, 0.0000191000000000, 0.0003794900000000 ] - [ -0.0005333300000000, 0.0015878700000000, 0.0011555700000000 ] - [ 0.0025939400000000, -0.0041284900000000, 0.0054854700000000 ] - [ -0.0002300300000000, -0.0001804800000000, 0.0000284300000000 ] - [ -0.0000891800000000, 0.0002780100000000, -0.0000492900000000 ] - [ 0.0004389900000000, -0.0008326600000000, -0.0012189900000000 ] - [ -0.0000470100000000, 0.0001439800000000, 0.0000087400000000 ] - [ -0.0001226500000000, 0.0000451600000000, -0.0001391500000000 ] - [ -0.0000866900000000, 0.0003580600000000, 0.0006648800000000 ] - [ -0.0062655200000000, -0.0193367800000000, -0.0771062000000000 ] - [ 0.0000924200000000, -0.0001479400000000, 0.0001818900000000 ] - [ -0.0002399300000000, 0.0010630900000000, 0.0006807200000000 ] - [ -0.0001837100000000, 0.0000842100000000, 0.0001491100000000 ] - [ -0.0000872800000000, 0.0003244800000000, 0.0000572800000000 ] - [ -0.0022440900000000, -0.0008960800000000, 0.0028177900000000 ] - [ -0.0024885500000000, 0.0043104900000000, -0.0009512800000000 ] - [ 0.0000814100000000, -0.0001097100000000, 0.0001874100000000 ] - [ 0.0000180100000000, -0.0000105300000000, -0.0000968700000000 ] - [ -0.0001597100000000, 0.0000275000000000, 0.0000272100000000 ] - [ -0.0009006100000000, -0.0003751300000000, 0.0004708000000000 ] - [ 0.0000114500000000, 0.0000681900000000, 0.0001082000000000 ] - [ -0.0001017700000000, 0.0000403700000000, -0.0000515300000000 ] - [ -0.0000489600000000, 0.0000128900000000, 0.0000980100000000 ] - [ 0.0013939100000000, -0.0003849000000000, 0.0006300800000000 ] - [ 0.0001894300000000, 0.0000000200000000, -0.0000051100000000 ] - [ 0.0000188200000000, 0.0000357000000000, 0.0000294400000000 ] - [ 0.0000251800000000, -0.0000379000000000, -0.0001789300000000 ] - [ 0.0000470700000000, 0.0001043400000000, 0.0000020300000000 ] - [ -0.0000505600000000, -0.0001314300000000, -0.0000495800000000 ] - [ 0.0001789600000000, -0.0001758800000000, -0.0001601900000000 ] - [ 0.0001287800000000, 0.0000853900000000, 0.0000178300000000 ] - [ 0.0002961100000000, 0.0000096800000000, -0.0000432800000000 ] - [ 0.0001130900000000, -0.0000063700000000, 0.0001434900000000 ] - [ -0.0000864700000000, -0.0007487200000000, -0.0003584300000000 ] - [ -0.0000653200000000, -0.0001253800000000, 0.0003760200000000 ] - [ -0.0000950900000000, 0.0000575500000000, 0.0001079400000000 ] - [ 0.0001351000000000, -0.0011062300000000, -0.0001850900000000 ] - [ -0.0000570100000000, -0.0000675700000000, 0.0001305000000000 ] - [ 0.0001919600000000, 0.0001163900000000, -0.0000449800000000 ] - [ -0.0000374800000000, 0.0001483900000000, 0.0000418500000000 ] - [ -0.0000817600000000, -0.0001812700000000, 0.0002140200000000 ] - [ -0.0028454700000000, -0.0015940300000000, 0.0011007600000000 ] - [ 0.0001130700000000, 0.0002515500000000, -0.0003859100000000 ] - [ 0.0001825500000000, -0.0001301800000000, 0.0003676200000000 ] - [ 0.0000384300000000, 0.0000682200000000, -0.0002600500000000 ] - [ -0.0001324900000000, 0.0000059000000000, -0.0001188200000000 ] - [ -0.0001795200000000, -0.0000766200000000, -0.0002762200000000 ] - [ 0.0000995900000000, 0.0002480500000000, 0.0003621200000000 ] - [ -0.0001716300000000, -0.0000529300000000, -0.0001983900000000 ] - [ 0.0000499400000000, 0.0001589200000000, 0.0000978700000000 ] - [ 0.0000015900000000, -0.0001881400000000, -0.0004161500000000 ] - [ -0.0000568700000000, 0.0006486900000000, 0.0017263400000000 ] - [ 0.0001525800000000, -0.0000374500000000, -0.0001164800000000 ] - [ 0.0005451300000000, -0.0008343900000000, 0.0004530100000000 ] - [ 0.0002172000000000, 0.0000989000000000, -0.0013975000000000 ] - [ 0.0115041700000000, 0.0015595700000000, 0.0417333500000000 ] - [ 0.0001722100000000, -0.0002252500000000, -0.0010168600000000 ] - [ 0.0001589900000000, 0.0001099400000000, 0.0000939600000000 ] - [ 0.0001210300000000, -0.0006551600000000, -0.0018121100000000 ] - [ -0.0018138800000000, 0.0193369600000000, 0.0244566500000000 ] - [ -0.0000538800000000, -0.0000021400000000, -0.0003752000000000 ] - [ -0.0001962000000000, -0.0004882600000000, -0.0006100000000000 ] - [ -0.0007773000000000, 0.0004103500000000, 0.0020803500000000 ] - [ 0.0000214100000000, -0.0000145600000000, -0.0000139300000000 ] - [ -0.0003925500000000, 0.0004930500000000, -0.0002615700000000 ] - [ -0.0000262000000000, -0.0001608400000000, -0.0002656400000000 ] - [ -0.0000275200000000, 0.0000331700000000, 0.0002770800000000 ] - [ -0.0005050500000000, -0.0003137000000000, 0.0000228100000000 ] - [ -0.0000258200000000, 0.0001426100000000, 0.0000842200000000 ]- atom: 29 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0001314900000000, -0.0000446100000000, -0.0000152100000000 ] - [ 0.0000803700000000, 0.0000141100000000, -0.0000819400000000 ] - [ -0.0004211600000000, -0.0003688300000000, -0.0007022600000000 ] - [ -0.0001208200000000, -0.0000329600000000, 0.0001231500000000 ] - [ 0.0000124400000000, -0.0001573000000000, 0.0000758100000000 ] - [ 0.0000642200000000, 0.0001669600000000, -0.0000640000000000 ] - [ -0.0000935100000000, -0.0001155500000000, 0.0000936300000000 ] - [ -0.0001200600000000, 0.0000166800000000, -0.0001524200000000 ] - [ -0.0000093000000000, -0.0003797400000000, -0.0000879700000000 ] - [ -0.0000041600000000, 0.0003964300000000, -0.0000490000000000 ] - [ 0.0000273700000000, -0.0001008800000000, 0.0001283500000000 ] - [ 0.0000036300000000, 0.0001167900000000, 0.0001223100000000 ] - [ -0.0000488400000000, -0.0000820500000000, 0.0001717900000000 ] - [ -0.0001219600000000, 0.0001200500000000, 0.0000871900000000 ] - [ 0.0002199700000000, -0.0001253900000000, 0.0000484700000000 ] - [ -0.0000443200000000, 0.0002098400000000, 0.0001006200000000 ] - [ 0.0001091200000000, -0.0002949700000000, 0.0000867900000000 ] - [ -0.0001031700000000, 0.0001186600000000, 0.0001280500000000 ] - [ -0.0017407900000000, -0.0007085300000000, 0.0006613900000000 ] - [ 0.0001900400000000, -0.0000168100000000, 0.0001079200000000 ] - [ 0.0003720800000000, -0.0015923200000000, -0.0010262500000000 ] - [ -0.0027396300000000, 0.0040572800000000, -0.0052545000000000 ] - [ -0.0001685600000000, -0.0002239900000000, 0.0000081700000000 ] - [ -0.0003097700000000, 0.0001235500000000, 0.0000838300000000 ] - [ -0.0004777000000000, 0.0006460000000000, 0.0009458900000000 ] - [ 0.0000167300000000, 0.0000160100000000, -0.0002778600000000 ] - [ -0.0000424000000000, -0.0002726200000000, 0.0002035400000000 ] - [ -0.0000793500000000, -0.0001325300000000, -0.0006004800000000 ] - [ 0.0056541600000000, 0.0193181000000000, 0.0747135900000000 ] - [ 0.0000390600000000, 0.0000536800000000, -0.0004950400000000 ] - [ 0.0001807100000000, -0.0012340400000000, -0.0006393700000000 ] - [ 0.0001234300000000, 0.0000918500000000, -0.0001205600000000 ] - [ 0.0000838000000000, -0.0001140900000000, -0.0001788800000000 ] - [ 0.0022048100000000, 0.0006482000000000, -0.0028941800000000 ] - [ 0.0025669200000000, -0.0040262500000000, 0.0010653400000000 ] - [ 0.0000163000000000, -0.0001569600000000, -0.0000580300000000 ] - [ -0.0000877100000000, 0.0000044200000000, -0.0001297300000000 ] - [ 0.0000926800000000, -0.0000252400000000, -0.0002579900000000 ] - [ 0.0007799200000000, 0.0003022300000000, -0.0005450700000000 ] - [ -0.0001475700000000, -0.0000097200000000, -0.0001707400000000 ] - [ 0.0000253800000000, -0.0001141700000000, 0.0000221000000000 ] - [ -0.0000270900000000, 0.0000619100000000, -0.0001291800000000 ] - [ -0.0008974200000000, 0.0003161200000000, -0.0006290300000000 ] - [ 0.0003176000000000, 0.0000704400000000, 0.0000092300000000 ] - [ -0.0000161600000000, 0.0000618800000000, -0.0001839600000000 ] - [ -0.0000210100000000, -0.0000576500000000, 0.0000246100000000 ] - [ 0.0000364100000000, 0.0003091300000000, -0.0001280800000000 ] - [ 0.0001341900000000, -0.0002816400000000, -0.0000757300000000 ] - [ 0.0001038900000000, -0.0000306200000000, 0.0000869300000000 ] - [ 0.0001544400000000, 0.0001220000000000, -0.0000940400000000 ] - [ 0.0000190400000000, -0.0000348700000000, 0.0002076800000000 ] - [ 0.0002050400000000, 0.0000310400000000, 0.0000180800000000 ] - [ -0.0001925400000000, 0.0006723100000000, 0.0005774700000000 ] - [ -0.0002119800000000, 0.0001981000000000, -0.0001519100000000 ] - [ -0.0000154500000000, -0.0001638000000000, -0.0001015900000000 ] - [ -0.0002498500000000, 0.0012178400000000, 0.0001907800000000 ] - [ 0.0001975000000000, 0.0000048000000000, -0.0001512800000000 ] - [ -0.0000552000000000, -0.0000524400000000, 0.0000274500000000 ] - [ -0.0000681500000000, 0.0001585300000000, 0.0001915800000000 ] - [ -0.0000233000000000, -0.0001251000000000, 0.0000174700000000 ] - [ 0.0030165900000000, 0.0012785200000000, -0.0013460000000000 ] - [ 0.0000581200000000, 0.0000574400000000, 0.0001761100000000 ] - [ -0.0002213600000000, -0.0000689100000000, -0.0005151400000000 ] - [ -0.0000792800000000, 0.0001336000000000, 0.0001166700000000 ] - [ -0.0002051500000000, 0.0002154400000000, -0.0002599600000000 ] - [ -0.0001584800000000, -0.0001422600000000, -0.0001019300000000 ] - [ -0.0002906300000000, -0.0000940500000000, -0.0003997200000000 ] - [ -0.0000172300000000, -0.0001023400000000, 0.0001678300000000 ] - [ 0.0000239400000000, -0.0000164300000000, -0.0002189700000000 ] - [ 0.0000645400000000, 0.0000438900000000, 0.0002957000000000 ] - [ 0.0000939200000000, -0.0005966200000000, -0.0017815700000000 ] - [ -0.0001270300000000, 0.0000026600000000, 0.0000472300000000 ] - [ -0.0003481600000000, 0.0008091300000000, -0.0004317500000000 ] - [ -0.0000110600000000, -0.0000620900000000, 0.0014345600000000 ] - [ -0.0103903400000000, -0.0017246600000000, -0.0401414900000000 ] - [ 0.0001494300000000, 0.0001712800000000, 0.0008364500000000 ] - [ -0.0003527300000000, -0.0003664000000000, 0.0000097900000000 ] - [ -0.0003039900000000, 0.0009035600000000, 0.0019034800000000 ] - [ 0.0017894100000000, -0.0187620400000000, -0.0242074000000000 ] - [ 0.0000679100000000, -0.0001568300000000, 0.0004448600000000 ] - [ 0.0003556000000000, 0.0003913000000000, 0.0005058200000000 ] - [ 0.0009038600000000, -0.0003002000000000, -0.0021259800000000 ] - [ -0.0002227200000000, 0.0000762200000000, 0.0000658900000000 ] - [ 0.0001955100000000, -0.0005585600000000, 0.0003168100000000 ] - [ -0.0000395300000000, -0.0000336500000000, 0.0003475000000000 ] - [ -0.0000376600000000, 0.0001610100000000, -0.0001997500000000 ] - [ 0.0005327000000000, 0.0002800900000000, 0.0001190000000000 ] - [ 0.0000499900000000, -0.0001083700000000, 0.0000590100000000 ]- atom: 31 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000050500000000, 0.0000066000000000, -0.0001073700000000 ] - [ 0.0000723200000000, -0.0000351600000000, -0.0000236300000000 ] - [ -0.0001120300000000, 0.0001209500000000, 0.0000524500000000 ] - [ -0.0005578700000000, -0.0004141400000000, -0.0004716700000000 ] - [ 0.0001157600000000, -0.0002357500000000, 0.0000064600000000 ] - [ 0.0000900400000000, 0.0001773000000000, -0.0000731900000000 ] - [ 0.0001433300000000, -0.0000794400000000, -0.0001089400000000 ] - [ -0.0000463600000000, 0.0000940400000000, 0.0000241100000000 ] - [ 0.0002964200000000, -0.0003373900000000, 0.0000145600000000 ] - [ 0.0001973600000000, 0.0002998100000000, -0.0000338700000000 ] - [ 0.0000918000000000, -0.0002107600000000, 0.0001083100000000 ] - [ 0.0000600200000000, 0.0001461900000000, 0.0001010800000000 ] - [ 0.0001097900000000, -0.0000760900000000, 0.0002094600000000 ] - [ 0.0000289200000000, 0.0000656800000000, 0.0001838600000000 ] - [ 0.0001458000000000, -0.0001671200000000, 0.0000653000000000 ] - [ 0.0001861600000000, 0.0001443700000000, 0.0000861300000000 ] - [ 0.0058272700000000, -0.0022148800000000, -0.0007194500000000 ] - [ -0.0000056800000000, 0.0002042700000000, 0.0000654900000000 ] - [ 0.0000026600000000, 0.0000399400000000, 0.0002527300000000 ] - [ 0.0000327200000000, 0.0000116200000000, 0.0001188100000000 ] - [ 0.0027616100000000, 0.0017443100000000, -0.0028943400000000 ] - [ -0.0001671400000000, 0.0000728200000000, 0.0000554900000000 ] - [ -0.0003023100000000, -0.0002420300000000, 0.0000044200000000 ] - [ -0.0002184300000000, 0.0001530600000000, 0.0000149300000000 ] - [ -0.0000654700000000, -0.0001551400000000, -0.0000752000000000 ] - [ 0.0001265400000000, -0.0000747600000000, -0.0004302200000000 ] - [ 0.0002078500000000, -0.0031411100000000, 0.0001221000000000 ] - [ -0.0000921600000000, 0.0000986000000000, -0.0000032800000000 ] - [ -0.0001265000000000, 0.0000635400000000, -0.0003698000000000 ] - [ -0.0000178500000000, 0.0000152400000000, -0.0003100900000000 ] - [ -0.0639820000000000, 0.0156235600000000, 0.0027008700000000 ] - [ -0.0000693400000000, 0.0000752800000000, -0.0000121600000000 ] - [ 0.0001220800000000, -0.0002663100000000, 0.0012868400000000 ] - [ -0.0002536800000000, -0.0003731000000000, -0.0003271800000000 ] - [ 0.0000499300000000, 0.0000609500000000, 0.0000731500000000 ] - [ -0.0001049600000000, -0.0002657400000000, 0.0000041100000000 ] - [ 0.0006996900000000, 0.0021452400000000, 0.0013150900000000 ] - [ -0.0000399300000000, -0.0000417600000000, -0.0001310300000000 ] - [ -0.0001644000000000, -0.0001421600000000, -0.0001157800000000 ] - [ -0.0012162500000000, 0.0008738900000000, 0.0006901100000000 ] - [ 0.0012786300000000, 0.0009913200000000, -0.0013310900000000 ] - [ -0.0000592600000000, 0.0000099600000000, 0.0000150700000000 ] - [ 0.0003808000000000, -0.0003197000000000, 0.0001775100000000 ] - [ 0.0002427500000000, 0.0000283000000000, -0.0000437100000000 ] - [ 0.0000236500000000, -0.0000457000000000, 0.0000005600000000 ] - [ 0.0002688400000000, 0.0001680000000000, -0.0003497600000000 ] - [ 0.0000617200000000, 0.0001651400000000, -0.0000254900000000 ] - [ 0.0001065900000000, -0.0001801000000000, -0.0000914200000000 ] - [ 0.0001483900000000, -0.0001228600000000, -0.0000452300000000 ] - [ 0.0001607300000000, 0.0001643000000000, -0.0001600100000000 ] - [ 0.0001835300000000, -0.0000135900000000, 0.0000626100000000 ] - [ 0.0003246500000000, -0.0000653300000000, -0.0000021900000000 ] - [ 0.0046569900000000, 0.0002041800000000, 0.0033625600000000 ] - [ -0.0000724700000000, 0.0001574200000000, 0.0000544800000000 ] - [ -0.0001524000000000, -0.0000877200000000, -0.0001130000000000 ] - [ -0.0001547300000000, -0.0000581300000000, 0.0000526000000000 ] - [ 0.0000596700000000, -0.0000301700000000, -0.0000033800000000 ] - [ 0.0065199200000000, -0.0005526100000000, 0.0023362300000000 ] - [ -0.0000376700000000, 0.0001920200000000, 0.0001100200000000 ] - [ -0.0000479800000000, -0.0001667900000000, 0.0001265500000000 ] - [ 0.0018367100000000, -0.0028679700000000, -0.0008226500000000 ] - [ 0.0001422000000000, 0.0000246500000000, -0.0001311100000000 ] - [ 0.0000149700000000, -0.0002276400000000, -0.0000411500000000 ] - [ 0.0000625900000000, 0.0001500400000000, -0.0000630000000000 ] - [ -0.0002613300000000, 0.0001668600000000, -0.0002584600000000 ] - [ -0.0002846000000000, 0.0000002900000000, -0.0001916400000000 ] - [ -0.0002306200000000, 0.0001460500000000, 0.0000027900000000 ] - [ -0.0001642100000000, -0.0001141600000000, 0.0000590500000000 ] - [ -0.0007824200000000, 0.0003510000000000, -0.0002503100000000 ] - [ -0.0001470100000000, -0.0001810900000000, -0.0000424500000000 ] - [ -0.0000283600000000, 0.0000425500000000, -0.0001108500000000 ] - [ -0.0001855900000000, -0.0001252500000000, -0.0000590400000000 ] - [ 0.0305514100000000, -0.0138366300000000, -0.0143797700000000 ] - [ 0.0001480600000000, -0.0000793800000000, 0.0001153500000000 ] - [ 0.0006674500000000, -0.0002590700000000, -0.0000043300000000 ] - [ 0.0005723200000000, 0.0001535900000000, -0.0007628900000000 ] - [ 0.0002928700000000, -0.0003681100000000, -0.0006711900000000 ] - [ -0.0000964500000000, 0.0002240800000000, 0.0000535300000000 ] - [ 0.0000658700000000, 0.0003849700000000, 0.0000487700000000 ] - [ -0.0008412600000000, 0.0007598700000000, 0.0016286500000000 ] - [ 0.0121284800000000, 0.0005869300000000, 0.0090535600000000 ] - [ 0.0000984600000000, 0.0002809900000000, 0.0001084800000000 ] - [ -0.0000999500000000, -0.0000634200000000, 0.0004817900000000 ] - [ 0.0000093800000000, 0.0001047100000000, 0.0000182700000000 ] - [ -0.0000466100000000, -0.0000719100000000, 0.0000062200000000 ] - [ -0.0007626400000000, -0.0002519400000000, 0.0006731300000000 ] - [ -0.0003290200000000, 0.0009422400000000, -0.0001985300000000 ] - [ -0.0000538000000000, -0.0000746300000000, 0.0002562100000000 ]- atom: 31 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0001376300000000, -0.0000255900000000, -0.0000293600000000 ] - [ 0.0000694900000000, 0.0000541800000000, -0.0001138400000000 ] - [ -0.0001465300000000, 0.0000524400000000, 0.0000166800000000 ] - [ 0.0002788800000000, 0.0002400600000000, 0.0005369400000000 ] - [ 0.0000059700000000, -0.0000978300000000, -0.0000342900000000 ] - [ 0.0000321100000000, 0.0001567000000000, 0.0000439100000000 ] - [ -0.0003220000000000, -0.0000902700000000, 0.0001256000000000 ] - [ -0.0001316100000000, 0.0000743600000000, -0.0000112700000000 ] - [ -0.0001558200000000, -0.0002328800000000, -0.0001371700000000 ] - [ -0.0000560900000000, 0.0002746300000000, -0.0000871600000000 ] - [ -0.0000394900000000, -0.0000620000000000, 0.0001392300000000 ] - [ -0.0000078900000000, 0.0001264000000000, 0.0001465800000000 ] - [ -0.0002192800000000, -0.0000949600000000, 0.0000944300000000 ] - [ -0.0001384600000000, 0.0001057600000000, 0.0001195200000000 ] - [ -0.0000717400000000, -0.0001909600000000, 0.0001037100000000 ] - [ -0.0001119100000000, 0.0002140300000000, 0.0000829300000000 ] - [ -0.0058061700000000, 0.0017893800000000, 0.0008253900000000 ] - [ -0.0000239500000000, 0.0002008800000000, 0.0000680600000000 ] - [ 0.0001273700000000, -0.0000438500000000, 0.0002352800000000 ] - [ 0.0000964200000000, -0.0000088500000000, 0.0003687000000000 ] - [ -0.0028602100000000, -0.0016767500000000, 0.0029876800000000 ] - [ -0.0000053200000000, -0.0000964000000000, 0.0000878500000000 ] - [ -0.0000969500000000, -0.0001618200000000, 0.0000318200000000 ] - [ -0.0001809300000000, 0.0002503100000000, 0.0000212000000000 ] - [ 0.0000339800000000, -0.0000066600000000, -0.0001929700000000 ] - [ -0.0001567700000000, 0.0002363600000000, 0.0001634900000000 ] - [ -0.0003727700000000, 0.0028846400000000, -0.0000454100000000 ] - [ -0.0000729000000000, 0.0001269100000000, 0.0000636800000000 ] - [ 0.0002535600000000, 0.0000183900000000, 0.0000498500000000 ] - [ 0.0001494800000000, -0.0001081700000000, -0.0000035500000000 ] - [ 0.0624113600000000, -0.0150524200000000, -0.0018996700000000 ] - [ 0.0000097300000000, 0.0000975600000000, 0.0000481600000000 ] - [ -0.0001216900000000, 0.0004739700000000, -0.0013836000000000 ] - [ 0.0002486500000000, 0.0001529100000000, 0.0002012400000000 ] - [ 0.0000493500000000, 0.0002033500000000, 0.0000574700000000 ] - [ 0.0002023900000000, -0.0000024000000000, 0.0001247100000000 ] - [ -0.0007690000000000, -0.0021656000000000, -0.0015463700000000 ] - [ -0.0000278400000000, 0.0000479700000000, -0.0000962400000000 ] - [ 0.0000304500000000, 0.0000825100000000, 0.0000540000000000 ] - [ 0.0010958500000000, -0.0008052700000000, -0.0007162800000000 ] - [ -0.0013655500000000, -0.0010835200000000, 0.0013206900000000 ] - [ -0.0000159300000000, 0.0000648100000000, -0.0000460700000000 ] - [ 0.0001284100000000, 0.0002492100000000, -0.0001722700000000 ] - [ 0.0002653400000000, 0.0000424900000000, 0.0000485700000000 ] - [ -0.0000195800000000, 0.0001436300000000, -0.0001556700000000 ] - [ -0.0002644200000000, -0.0002656500000000, 0.0001956300000000 ] - [ 0.0000228200000000, 0.0002477100000000, -0.0001005700000000 ] - [ -0.0000219000000000, -0.0002328300000000, -0.0000341200000000 ] - [ 0.0001354300000000, -0.0000839300000000, -0.0000298900000000 ] - [ 0.0001229200000000, 0.0000431200000000, 0.0000841900000000 ] - [ 0.0001334400000000, -0.0000112700000000, 0.0001001600000000 ] - [ -0.0000063600000000, 0.0000897100000000, 0.0001630200000000 ] - [ -0.0048422300000000, -0.0002695300000000, -0.0030641900000000 ] - [ -0.0002043200000000, -0.0000856400000000, 0.0001690900000000 ] - [ 0.0000417100000000, -0.0000150800000000, 0.0001219300000000 ] - [ 0.0000449400000000, 0.0001602000000000, -0.0000425400000000 ] - [ 0.0000789300000000, -0.0000338000000000, -0.0000165600000000 ] - [ -0.0065401300000000, 0.0006349800000000, -0.0024149200000000 ] - [ -0.0000676800000000, 0.0001150200000000, 0.0001230200000000 ] - [ -0.0000568800000000, -0.0001398700000000, 0.0001051600000000 ] - [ -0.0017145600000000, 0.0026620700000000, 0.0006460000000000 ] - [ 0.0000270900000000, 0.0002856300000000, -0.0000824800000000 ] - [ -0.0000563200000000, 0.0000277900000000, -0.0001055200000000 ] - [ -0.0001034300000000, 0.0000510600000000, -0.0000818100000000 ] - [ -0.0000723300000000, 0.0000519300000000, -0.0001214600000000 ] - [ -0.0000496000000000, -0.0002161400000000, -0.0001871800000000 ] - [ 0.0000435400000000, 0.0000116100000000, -0.0000366000000000 ] - [ -0.0000244400000000, -0.0000434200000000, -0.0000889000000000 ] - [ 0.0008556100000000, -0.0002067500000000, 0.0001269200000000 ] - [ 0.0002179100000000, 0.0000337300000000, -0.0000797000000000 ] - [ 0.0000601200000000, -0.0000066800000000, 0.0000412200000000 ] - [ 0.0002325900000000, 0.0000735800000000, -0.0000281500000000 ] - [ -0.0289038400000000, 0.0130235400000000, 0.0137692300000000 ] - [ 0.0000498400000000, 0.0001099400000000, -0.0000830500000000 ] - [ -0.0003431400000000, 0.0003227300000000, -0.0001787900000000 ] - [ -0.0002530700000000, -0.0002108200000000, 0.0005729100000000 ] - [ -0.0004909500000000, 0.0001275100000000, 0.0007734400000000 ] - [ -0.0000958500000000, 0.0000308200000000, 0.0000495600000000 ] - [ -0.0000565100000000, -0.0002184600000000, 0.0000194900000000 ] - [ 0.0008587300000000, -0.0009241000000000, -0.0015658500000000 ] - [ -0.0119391100000000, -0.0007181600000000, -0.0093082700000000 ] - [ 0.0000590000000000, -0.0001793700000000, -0.0002122500000000 ] - [ -0.0001043400000000, 0.0001229000000000, -0.0004277300000000 ] - [ -0.0002154800000000, -0.0001661100000000, 0.0000333300000000 ] - [ -0.0000163900000000, -0.0001211800000000, 0.0000740800000000 ] - [ 0.0006952700000000, 0.0004486500000000, -0.0006023400000000 ] - [ 0.0003532500000000, -0.0009934900000000, 0.0003421000000000 ] - [ 0.0000801000000000, 0.0001103500000000, -0.0001137700000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001060300000000, -0.0000523100000000, -0.0000410800000000 ] - [ 0.0001224000000000, 0.0000381500000000, -0.0001020200000000 ] - [ -0.0001410000000000, 0.0000295200000000, -0.0000085900000000 ] - [ -0.0004129400000000, -0.0005966200000000, 0.0006707000000000 ] - [ 0.0000323200000000, -0.0001182600000000, -0.0000631400000000 ] - [ 0.0000439600000000, 0.0001629700000000, 0.0000860200000000 ] - [ -0.0001387000000000, -0.0000930400000000, 0.0000020600000000 ] - [ -0.0001067600000000, 0.0000900200000000, 0.0000059200000000 ] - [ 0.0000279000000000, -0.0002592900000000, -0.0000883000000000 ] - [ 0.0000701500000000, 0.0002383600000000, -0.0000491000000000 ] - [ -0.0000184100000000, -0.0000580300000000, 0.0001245300000000 ] - [ 0.0000182800000000, 0.0001376000000000, 0.0001481300000000 ] - [ -0.0001331700000000, -0.0001592000000000, 0.0000980400000000 ] - [ -0.0000952000000000, 0.0001177200000000, 0.0001348700000000 ] - [ 0.0000404400000000, -0.0001693400000000, 0.0000676500000000 ] - [ -0.0000000500000000, 0.0001583600000000, 0.0001480200000000 ] - [ -0.0036090100000000, 0.0011358600000000, -0.0004454600000000 ] - [ 0.0000169100000000, 0.0002153200000000, 0.0000856800000000 ] - [ 0.0001627800000000, 0.0000430300000000, 0.0002597500000000 ] - [ -0.0000016600000000, -0.0001602000000000, 0.0002248200000000 ] - [ 0.0015769100000000, -0.0007765100000000, -0.0015836800000000 ] - [ 0.0000023600000000, -0.0000938800000000, 0.0001722700000000 ] - [ -0.0002261200000000, -0.0000634500000000, 0.0001476700000000 ] - [ -0.0001669900000000, 0.0003049600000000, 0.0000297800000000 ] - [ 0.0000839900000000, 0.0001146900000000, -0.0002193200000000 ] - [ -0.0001650700000000, 0.0003442200000000, 0.0002438600000000 ] - [ -0.0014150000000000, 0.0039407700000000, 0.0011426200000000 ] - [ -0.0000787300000000, 0.0001742800000000, 0.0001335600000000 ] - [ 0.0009829600000000, 0.0026027400000000, 0.0010055500000000 ] - [ 0.0001644400000000, -0.0002567800000000, -0.0001514000000000 ] - [ 0.0152569500000000, -0.0351892800000000, -0.0263363100000000 ] - [ -0.0000188200000000, 0.0000979800000000, 0.0000973500000000 ] - [ 0.0001500500000000, -0.0004912700000000, -0.0028950600000000 ] - [ 0.0002296800000000, 0.0004978100000000, 0.0005722400000000 ] - [ -0.0000561100000000, 0.0003886300000000, 0.0000263400000000 ] - [ 0.0000873200000000, 0.0000754300000000, 0.0002109600000000 ] - [ 0.0004905400000000, 0.0027738700000000, 0.0013024000000000 ] - [ -0.0000890800000000, 0.0001202600000000, -0.0000408500000000 ] - [ -0.0000512000000000, 0.0001276800000000, 0.0000720100000000 ] - [ 0.0024275900000000, 0.0004139000000000, 0.0020959100000000 ] - [ 0.0005541400000000, 0.0004302200000000, -0.0006074800000000 ] - [ -0.0000336200000000, 0.0000814500000000, -0.0000279000000000 ] - [ 0.0000491100000000, 0.0002477600000000, -0.0002301500000000 ] - [ 0.0003034000000000, 0.0000256100000000, 0.0000965000000000 ] - [ -0.0000064900000000, 0.0000725100000000, -0.0001086700000000 ] - [ -0.0002472500000000, -0.0002628800000000, 0.0001189700000000 ] - [ 0.0001263700000000, 0.0003989100000000, -0.0000794400000000 ] - [ 0.0000177100000000, -0.0002094000000000, -0.0000508700000000 ] - [ 0.0001588400000000, -0.0000608500000000, -0.0000368800000000 ] - [ 0.0002093100000000, 0.0000558800000000, 0.0001237600000000 ] - [ 0.0001794300000000, 0.0000059500000000, 0.0000662600000000 ] - [ -0.0000301000000000, 0.0001090500000000, 0.0001599400000000 ] - [ 0.0006369300000000, -0.0005817400000000, 0.0003139200000000 ] - [ -0.0001851600000000, -0.0001118400000000, 0.0001830300000000 ] - [ 0.0000355500000000, 0.0000585300000000, 0.0001776600000000 ] - [ -0.0000025500000000, 0.0002884300000000, -0.0001057600000000 ] - [ 0.0000313700000000, -0.0000462500000000, 0.0000251300000000 ] - [ -0.0014736600000000, -0.0004260100000000, -0.0008233600000000 ] - [ -0.0000525400000000, 0.0000833700000000, 0.0000350800000000 ] - [ -0.0000610700000000, -0.0001360500000000, 0.0001330600000000 ] - [ -0.0029092100000000, 0.0039579400000000, 0.0013046500000000 ] - [ 0.0001281800000000, 0.0004654100000000, -0.0000902700000000 ] - [ -0.0001290600000000, -0.0002006200000000, 0.0001692400000000 ] - [ -0.0000980900000000, -0.0000266600000000, -0.0001701400000000 ] - [ -0.0000895700000000, 0.0000368100000000, -0.0000567200000000 ] - [ -0.0001662900000000, -0.0003100400000000, -0.0002147500000000 ] - [ -0.0000853900000000, -0.0000255500000000, 0.0000297200000000 ] - [ -0.0001037400000000, -0.0000242600000000, -0.0002248600000000 ] - [ -0.0001736100000000, 0.0002568300000000, -0.0001037400000000 ] - [ 0.0000818200000000, -0.0000570200000000, -0.0000137400000000 ] - [ -0.0000329400000000, -0.0000651300000000, 0.0000952200000000 ] - [ 0.0005790600000000, -0.0008885500000000, -0.0004485500000000 ] - [ -0.0116584000000000, 0.0103789200000000, 0.0098052300000000 ] - [ 0.0000223800000000, 0.0000895100000000, -0.0001550100000000 ] - [ -0.0005000400000000, 0.0000956100000000, -0.0007780900000000 ] - [ 0.0000369200000000, 0.0018704800000000, 0.0006497000000000 ] - [ -0.0002829900000000, 0.0011938300000000, -0.0000184500000000 ] - [ -0.0000194400000000, -0.0000950800000000, 0.0000577400000000 ] - [ 0.0002206200000000, -0.0008689400000000, -0.0001958200000000 ] - [ -0.0000300500000000, -0.0010316700000000, -0.0007430200000000 ] - [ -0.0008375500000000, 0.0098756900000000, 0.0148912200000000 ] - [ 0.0002009000000000, -0.0003110600000000, -0.0002686100000000 ] - [ -0.0000873600000000, 0.0001112500000000, -0.0002875600000000 ] - [ -0.0001521100000000, -0.0003849400000000, 0.0000871700000000 ] - [ -0.0000193100000000, -0.0001149100000000, -0.0000077600000000 ] - [ 0.0003842000000000, 0.0003572300000000, -0.0000408400000000 ] - [ 0.0002903200000000, -0.0002473600000000, 0.0002265200000000 ] - [ 0.0000511000000000, 0.0001329300000000, -0.0001456900000000 ]- atom: 31 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000364800000000, 0.0000332000000000, -0.0000958300000000 ] - [ 0.0000192600000000, -0.0000184300000000, -0.0000353800000000 ] - [ -0.0001181000000000, 0.0001427900000000, 0.0000766700000000 ] - [ 0.0001603100000000, 0.0004330600000000, -0.0006166400000000 ] - [ 0.0000890900000000, -0.0002154000000000, 0.0000342300000000 ] - [ 0.0000775400000000, 0.0001711100000000, -0.0001142200000000 ] - [ -0.0000396200000000, -0.0000758800000000, 0.0000116600000000 ] - [ -0.0000716400000000, 0.0000787100000000, 0.0000078900000000 ] - [ 0.0001121300000000, -0.0003158500000000, -0.0000328000000000 ] - [ 0.0000698700000000, 0.0003352800000000, -0.0000723900000000 ] - [ 0.0000701300000000, -0.0002141300000000, 0.0001229700000000 ] - [ 0.0000338900000000, 0.0001357600000000, 0.0000995300000000 ] - [ 0.0000242300000000, -0.0000119400000000, 0.0002058400000000 ] - [ -0.0000140100000000, 0.0000535900000000, 0.0001691200000000 ] - [ 0.0000339000000000, -0.0001888400000000, 0.0001008200000000 ] - [ 0.0000742200000000, 0.0002001900000000, 0.0000205900000000 ] - [ 0.0035605700000000, -0.0015496400000000, 0.0005854900000000 ] - [ -0.0000454200000000, 0.0001902300000000, 0.0000486200000000 ] - [ -0.0000304100000000, -0.0000464200000000, 0.0002284300000000 ] - [ 0.0001327100000000, 0.0001632600000000, 0.0002637700000000 ] - [ -0.0017326200000000, 0.0007995200000000, 0.0017317800000000 ] - [ -0.0001731000000000, 0.0000694800000000, -0.0000268200000000 ] - [ -0.0001750000000000, -0.0003386100000000, -0.0001120900000000 ] - [ -0.0002317100000000, 0.0001000100000000, 0.0000064400000000 ] - [ -0.0001138400000000, -0.0002735900000000, -0.0000483600000000 ] - [ 0.0001335300000000, -0.0001839200000000, -0.0005092800000000 ] - [ 0.0013069100000000, -0.0042570400000000, -0.0010881700000000 ] - [ -0.0000865100000000, 0.0000521300000000, -0.0000712500000000 ] - [ -0.0008275700000000, -0.0024380300000000, -0.0012918700000000 ] - [ -0.0000324100000000, 0.0001624900000000, -0.0001591300000000 ] - [ -0.0154342900000000, 0.0348606400000000, 0.0265480400000000 ] - [ -0.0000409900000000, 0.0000753100000000, -0.0000597400000000 ] - [ -0.0001623600000000, 0.0007060600000000, 0.0027499100000000 ] - [ -0.0002314400000000, -0.0007047400000000, -0.0006846200000000 ] - [ 0.0001527100000000, -0.0001187800000000, 0.0001036000000000 ] - [ 0.0000119700000000, -0.0003404500000000, -0.0000793000000000 ] - [ -0.0005852100000000, -0.0028310100000000, -0.0015707500000000 ] - [ 0.0000193400000000, -0.0001118400000000, -0.0001847500000000 ] - [ -0.0000844200000000, -0.0001851100000000, -0.0001324200000000 ] - [ -0.0025551200000000, -0.0003626500000000, -0.0021354000000000 ] - [ -0.0006423500000000, -0.0005112700000000, 0.0005889000000000 ] - [ -0.0000431700000000, -0.0000060700000000, -0.0000025000000000 ] - [ 0.0004540800000000, -0.0003153100000000, 0.0002316000000000 ] - [ 0.0002028300000000, 0.0000444700000000, -0.0000918300000000 ] - [ 0.0000090600000000, 0.0000251000000000, -0.0000454800000000 ] - [ 0.0002471100000000, 0.0001626100000000, -0.0002710400000000 ] - [ -0.0000428100000000, 0.0000143500000000, -0.0000468600000000 ] - [ 0.0000657000000000, -0.0002022800000000, -0.0000748300000000 ] - [ 0.0001240200000000, -0.0001456900000000, -0.0000389500000000 ] - [ 0.0000737200000000, 0.0001512500000000, -0.0001994700000000 ] - [ 0.0001383800000000, -0.0000297100000000, 0.0000956200000000 ] - [ 0.0003465800000000, -0.0000843600000000, 0.0000025200000000 ] - [ -0.0009317700000000, 0.0005044700000000, -0.0000991900000000 ] - [ -0.0000915100000000, 0.0001813100000000, 0.0000433300000000 ] - [ -0.0001463700000000, -0.0001605700000000, -0.0001672800000000 ] - [ -0.0001077500000000, -0.0001827300000000, 0.0001134100000000 ] - [ 0.0001052300000000, -0.0000182800000000, -0.0000437600000000 ] - [ 0.0016195700000000, 0.0004788000000000, 0.0008063400000000 ] - [ -0.0000528000000000, 0.0002231000000000, 0.0001967900000000 ] - [ -0.0000445900000000, -0.0001705500000000, 0.0000994900000000 ] - [ 0.0029363800000000, -0.0041158400000000, -0.0014415000000000 ] - [ 0.0000432400000000, -0.0001522200000000, -0.0001232200000000 ] - [ 0.0000878000000000, -0.0000006300000000, -0.0003148600000000 ] - [ 0.0000570300000000, 0.0002268500000000, 0.0000238000000000 ] - [ -0.0002473800000000, 0.0001815900000000, -0.0003224400000000 ] - [ -0.0001702600000000, 0.0000899400000000, -0.0001644400000000 ] - [ -0.0001029000000000, 0.0001810200000000, -0.0000632100000000 ] - [ -0.0000843800000000, -0.0001318100000000, 0.0001905900000000 ] - [ 0.0002456500000000, -0.0001166000000000, -0.0000176900000000 ] - [ -0.0000130000000000, -0.0000858400000000, -0.0001090300000000 ] - [ 0.0000594100000000, 0.0000997300000000, -0.0001631500000000 ] - [ -0.0005507100000000, 0.0008609000000000, 0.0003652600000000 ] - [ 0.0120937700000000, -0.0103773000000000, -0.0098928900000000 ] - [ 0.0001723400000000, -0.0000558800000000, 0.0001815100000000 ] - [ 0.0008106700000000, -0.0000313600000000, 0.0005815700000000 ] - [ 0.0002739900000000, -0.0019381300000000, -0.0008348000000000 ] - [ 0.0000936300000000, -0.0014920100000000, 0.0001143600000000 ] - [ -0.0001701500000000, 0.0003451300000000, 0.0000456000000000 ] - [ -0.0002035400000000, 0.0010166000000000, 0.0002575800000000 ] - [ 0.0000521100000000, 0.0008810700000000, 0.0008013000000000 ] - [ 0.0009876100000000, -0.0098818000000000, -0.0150836200000000 ] - [ -0.0000389100000000, 0.0004066300000000, 0.0001620100000000 ] - [ -0.0001167700000000, -0.0000493100000000, 0.0003400100000000 ] - [ -0.0000512100000000, 0.0003187200000000, -0.0000340900000000 ] - [ -0.0000458900000000, -0.0000792800000000, 0.0000870300000000 ] - [ -0.0004484800000000, -0.0001585200000000, 0.0001218500000000 ] - [ -0.0002623100000000, 0.0002151500000000, -0.0000836900000000 ] - [ -0.0000238900000000, -0.0000959600000000, 0.0002851800000000 ]- atom: 31 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000837000000000, -0.0000225400000000, -0.0000442600000000 ] - [ 0.0001699000000000, -0.0000182300000000, -0.0001000700000000 ] - [ -0.0001324500000000, -0.0000011500000000, -0.0000303000000000 ] - [ -0.0007071400000000, 0.0005938700000000, 0.0005807900000000 ] - [ 0.0000529700000000, -0.0001318000000000, -0.0001194200000000 ] - [ 0.0000514400000000, 0.0001983900000000, 0.0001941800000000 ] - [ -0.0000489600000000, -0.0000495800000000, -0.0001638400000000 ] - [ -0.0001081100000000, 0.0000867900000000, 0.0000372900000000 ] - [ -0.0000081100000000, -0.0003447200000000, -0.0000840300000000 ] - [ 0.0001480900000000, 0.0002564900000000, -0.0000014400000000 ] - [ -0.0000126200000000, -0.0000893900000000, 0.0001073900000000 ] - [ 0.0000097100000000, 0.0001071700000000, 0.0001820100000000 ] - [ -0.0000939800000000, -0.0001591600000000, 0.0001077700000000 ] - [ -0.0001014100000000, 0.0000914700000000, 0.0001369000000000 ] - [ 0.0000324300000000, -0.0001868100000000, 0.0000518900000000 ] - [ 0.0000151400000000, 0.0001312300000000, 0.0002235600000000 ] - [ -0.0041061600000000, 0.0003812600000000, -0.0010778500000000 ] - [ 0.0000274400000000, 0.0002061000000000, 0.0001205700000000 ] - [ 0.0001583200000000, 0.0000882500000000, 0.0002635100000000 ] - [ -0.0000852700000000, -0.0000787700000000, 0.0003792800000000 ] - [ -0.0005143700000000, -0.0006943400000000, 0.0009646600000000 ] - [ -0.0000187600000000, -0.0000384300000000, 0.0002227600000000 ] - [ -0.0002214300000000, -0.0000388600000000, -0.0000754700000000 ] - [ -0.0001785300000000, 0.0002815300000000, 0.0000421700000000 ] - [ 0.0000516200000000, 0.0000394800000000, -0.0001764900000000 ] - [ -0.0002636100000000, 0.0004004900000000, 0.0005101700000000 ] - [ 0.0011932600000000, -0.0011491100000000, -0.0009013000000000 ] - [ -0.0000742600000000, 0.0001850400000000, 0.0002133000000000 ] - [ 0.0004469900000000, 0.0013136600000000, 0.0005009300000000 ] - [ -0.0000434300000000, -0.0001392200000000, -0.0000178100000000 ] - [ 0.0025293400000000, -0.0260465700000000, -0.0748441900000000 ] - [ -0.0000623700000000, 0.0000047000000000, 0.0002963000000000 ] - [ -0.0005428300000000, -0.0017336000000000, 0.0032695500000000 ] - [ 0.0002460900000000, 0.0009830500000000, 0.0009741200000000 ] - [ -0.0000112900000000, 0.0002844100000000, 0.0000561400000000 ] - [ 0.0001179900000000, 0.0000169700000000, 0.0000673300000000 ] - [ 0.0007682500000000, 0.0017760100000000, -0.0008110700000000 ] - [ -0.0001314200000000, 0.0001512200000000, 0.0000116100000000 ] - [ -0.0000617200000000, 0.0001302500000000, 0.0000392900000000 ] - [ 0.0042365800000000, 0.0004598100000000, 0.0054975700000000 ] - [ -0.0019290900000000, -0.0011626000000000, 0.0013992600000000 ] - [ -0.0000056800000000, 0.0000616000000000, -0.0000249800000000 ] - [ 0.0000857400000000, 0.0001792900000000, -0.0001865200000000 ] - [ 0.0003998100000000, 0.0001104000000000, 0.0002633200000000 ] - [ 0.0001093400000000, -0.0000437800000000, -0.0001564700000000 ] - [ -0.0002241300000000, -0.0002473400000000, 0.0000792300000000 ] - [ 0.0001106200000000, 0.0003367800000000, -0.0000896800000000 ] - [ -0.0000237300000000, -0.0002788600000000, -0.0000278800000000 ] - [ 0.0001503800000000, -0.0001045600000000, -0.0000933300000000 ] - [ 0.0002664000000000, -0.0000610500000000, 0.0003995500000000 ] - [ 0.0001856700000000, -0.0000341800000000, 0.0000208000000000 ] - [ -0.0000782900000000, 0.0000601900000000, 0.0002092200000000 ] - [ 0.0045978200000000, -0.0003062800000000, 0.0023362800000000 ] - [ -0.0002101800000000, -0.0002068400000000, 0.0002771400000000 ] - [ 0.0000902900000000, 0.0000729300000000, 0.0003219700000000 ] - [ -0.0000203100000000, 0.0002535700000000, -0.0001531200000000 ] - [ 0.0000358400000000, -0.0000293200000000, 0.0000910800000000 ] - [ 0.0008658400000000, -0.0002398500000000, -0.0005955300000000 ] - [ -0.0000498000000000, 0.0000627300000000, -0.0000321100000000 ] - [ -0.0000656400000000, -0.0001559200000000, 0.0001728400000000 ] - [ 0.0003696800000000, -0.0001710900000000, -0.0004303900000000 ] - [ -0.0000837900000000, 0.0005426000000000, -0.0006042300000000 ] - [ -0.0000438800000000, -0.0000210400000000, 0.0002232000000000 ] - [ -0.0001145700000000, -0.0000321800000000, -0.0002374700000000 ] - [ -0.0001081600000000, 0.0001269500000000, 0.0000027300000000 ] - [ -0.0001589600000000, -0.0002789100000000, -0.0002287900000000 ] - [ -0.0000907200000000, 0.0000127000000000, 0.0001467500000000 ] - [ -0.0001436400000000, 0.0000174300000000, -0.0004357600000000 ] - [ -0.0009026000000000, 0.0006573200000000, -0.0002649800000000 ] - [ 0.0001570000000000, 0.0000109800000000, -0.0000140500000000 ] - [ -0.0000685600000000, -0.0000226500000000, 0.0000381900000000 ] - [ 0.0013316700000000, -0.0008028900000000, -0.0016866000000000 ] - [ -0.0120842200000000, 0.0093257700000000, 0.0165520700000000 ] - [ 0.0000639600000000, 0.0001374500000000, -0.0003834500000000 ] - [ -0.0004926700000000, -0.0004713300000000, -0.0007924000000000 ] - [ -0.0007987700000000, 0.0002549600000000, 0.0013065500000000 ] - [ -0.0010952800000000, 0.0004121300000000, 0.0017519800000000 ] - [ 0.0000017100000000, -0.0000484400000000, -0.0000688400000000 ] - [ 0.0002239300000000, -0.0006077200000000, -0.0000147700000000 ] - [ -0.0000835800000000, -0.0002662500000000, -0.0012958800000000 ] - [ 0.0060116900000000, 0.0162294100000000, 0.0466436100000000 ] - [ 0.0002284300000000, -0.0005038900000000, -0.0004268000000000 ] - [ 0.0000573500000000, 0.0001715800000000, -0.0009715400000000 ] - [ -0.0001624100000000, -0.0002246500000000, 0.0001227600000000 ] - [ -0.0000766700000000, -0.0000372900000000, -0.0001502400000000 ] - [ 0.0008141100000000, 0.0000871500000000, 0.0004030800000000 ] - [ 0.0001939400000000, -0.0000956600000000, 0.0002881900000000 ] - [ -0.0000469300000000, 0.0000853400000000, -0.0002874600000000 ]- atom: 31 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000550300000000, 0.0000021200000000, -0.0000915900000000 ] - [ -0.0000297200000000, 0.0000382000000000, -0.0000349100000000 ] - [ -0.0001243800000000, 0.0001721100000000, 0.0001008100000000 ] - [ 0.0004749500000000, -0.0007885700000000, -0.0005178000000000 ] - [ 0.0000694600000000, -0.0002097100000000, 0.0000937400000000 ] - [ 0.0000700100000000, 0.0001435300000000, -0.0002183700000000 ] - [ -0.0001277200000000, -0.0001170600000000, 0.0001732700000000 ] - [ -0.0000701800000000, 0.0000791200000000, -0.0000262600000000 ] - [ 0.0001439800000000, -0.0002345100000000, -0.0000359500000000 ] - [ -0.0000108500000000, 0.0003197600000000, -0.0001191600000000 ] - [ 0.0000607400000000, -0.0001796600000000, 0.0001417400000000 ] - [ 0.0000375800000000, 0.0001607500000000, 0.0000678600000000 ] - [ -0.0000141900000000, -0.0000137100000000, 0.0001924800000000 ] - [ -0.0000075300000000, 0.0000811800000000, 0.0001636000000000 ] - [ 0.0000397100000000, -0.0001728500000000, 0.0001217000000000 ] - [ 0.0000572600000000, 0.0002281200000000, -0.0000494200000000 ] - [ 0.0040964200000000, -0.0007765800000000, 0.0012398100000000 ] - [ -0.0000490900000000, 0.0002003300000000, 0.0000205400000000 ] - [ -0.0000233000000000, -0.0000946200000000, 0.0002187400000000 ] - [ 0.0002151000000000, 0.0000862100000000, 0.0001056900000000 ] - [ 0.0003294600000000, 0.0007168000000000, -0.0008102700000000 ] - [ -0.0001491100000000, 0.0000131300000000, -0.0000759400000000 ] - [ -0.0001740800000000, -0.0003656600000000, 0.0001139400000000 ] - [ -0.0002153500000000, 0.0001253800000000, -0.0000049700000000 ] - [ -0.0000804300000000, -0.0001964600000000, -0.0000958300000000 ] - [ 0.0002347100000000, -0.0002422500000000, -0.0007822500000000 ] - [ -0.0013731000000000, 0.0009430100000000, 0.0009647400000000 ] - [ -0.0000903800000000, 0.0000476100000000, -0.0001473200000000 ] - [ -0.0003208900000000, -0.0012305900000000, -0.0008188000000000 ] - [ 0.0001732000000000, 0.0000534200000000, -0.0002871500000000 ] - [ -0.0021341300000000, 0.0268556100000000, 0.0771121200000000 ] - [ -0.0000022000000000, 0.0001617700000000, -0.0002581200000000 ] - [ 0.0005270800000000, 0.0019927000000000, -0.0034639800000000 ] - [ -0.0002566700000000, -0.0011761100000000, -0.0010763400000000 ] - [ 0.0001039700000000, -0.0000184700000000, 0.0000697300000000 ] - [ -0.0000242000000000, -0.0002808300000000, 0.0000622000000000 ] - [ -0.0008469400000000, -0.0017890800000000, 0.0006054000000000 ] - [ 0.0000610300000000, -0.0001414400000000, -0.0002323700000000 ] - [ -0.0000741400000000, -0.0001932700000000, -0.0001103600000000 ] - [ -0.0044151300000000, -0.0004022500000000, -0.0056538600000000 ] - [ 0.0018212900000000, 0.0010643400000000, -0.0014190100000000 ] - [ -0.0000725700000000, 0.0000164600000000, -0.0000111000000000 ] - [ 0.0004191200000000, -0.0002517700000000, 0.0001938200000000 ] - [ 0.0001038600000000, -0.0000383300000000, -0.0002570800000000 ] - [ -0.0001000100000000, 0.0001417800000000, -0.0000006500000000 ] - [ 0.0002320700000000, 0.0001478200000000, -0.0002376400000000 ] - [ -0.0000167900000000, 0.0000802200000000, -0.0000408900000000 ] - [ 0.0001168600000000, -0.0001414600000000, -0.0001035800000000 ] - [ 0.0001376300000000, -0.0000973000000000, 0.0000165300000000 ] - [ 0.0000209500000000, 0.0002607100000000, -0.0004730500000000 ] - [ 0.0001292300000000, 0.0000122800000000, 0.0001379800000000 ] - [ 0.0003914100000000, -0.0000383600000000, -0.0000467400000000 ] - [ -0.0048179900000000, 0.0002398600000000, -0.0020977800000000 ] - [ -0.0000633400000000, 0.0002711300000000, -0.0000540200000000 ] - [ -0.0002038500000000, -0.0001798900000000, -0.0003068800000000 ] - [ -0.0000947300000000, -0.0001449500000000, 0.0001647600000000 ] - [ 0.0001055300000000, -0.0000387100000000, -0.0001046400000000 ] - [ -0.0007146800000000, 0.0003094600000000, 0.0005891700000000 ] - [ -0.0000524800000000, 0.0002404000000000, 0.0002660100000000 ] - [ -0.0000363900000000, -0.0001479000000000, 0.0000635300000000 ] - [ -0.0002026400000000, -0.0001448600000000, 0.0002177200000000 ] - [ 0.0002503000000000, -0.0002320700000000, 0.0003886500000000 ] - [ 0.0000055200000000, -0.0001788500000000, -0.0003657800000000 ] - [ 0.0000767500000000, 0.0002361200000000, 0.0000910600000000 ] - [ -0.0002409400000000, 0.0000921000000000, -0.0003817700000000 ] - [ -0.0001910300000000, 0.0000613500000000, -0.0001516900000000 ] - [ -0.0001055900000000, 0.0001449700000000, -0.0001759300000000 ] - [ -0.0000506000000000, -0.0001739500000000, 0.0004019700000000 ] - [ 0.0009623500000000, -0.0005098400000000, 0.0001403100000000 ] - [ -0.0000898800000000, -0.0001546200000000, -0.0001092000000000 ] - [ 0.0001024900000000, 0.0000585300000000, -0.0001061100000000 ] - [ -0.0013167000000000, 0.0007674500000000, 0.0016234000000000 ] - [ 0.0124403200000000, -0.0094964900000000, -0.0165867900000000 ] - [ 0.0001361000000000, -0.0001071200000000, 0.0004101500000000 ] - [ 0.0008129300000000, 0.0005179400000000, 0.0006051000000000 ] - [ 0.0011550300000000, -0.0003012200000000, -0.0015435000000000 ] - [ 0.0009206200000000, -0.0006794300000000, -0.0016556100000000 ] - [ -0.0001889800000000, 0.0003059800000000, 0.0001742000000000 ] - [ -0.0002134600000000, 0.0007715200000000, 0.0000791000000000 ] - [ 0.0000994800000000, 0.0000897100000000, 0.0013462500000000 ] - [ -0.0064773800000000, -0.0171792700000000, -0.0488089000000000 ] - [ -0.0000662300000000, 0.0005912400000000, 0.0003249600000000 ] - [ -0.0002523600000000, -0.0001060900000000, 0.0010228900000000 ] - [ -0.0000353900000000, 0.0001627300000000, -0.0000646300000000 ] - [ 0.0000085200000000, -0.0001622500000000, 0.0002248500000000 ] - [ -0.0008776400000000, 0.0001090600000000, -0.0003168400000000 ] - [ -0.0001738600000000, 0.0000630900000000, -0.0001476300000000 ] - [ 0.0000711700000000, -0.0000486900000000, 0.0004279400000000 ]- atom: 33 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000227200000000, 0.0000299500000000, -0.0000496900000000 ] - [ 0.0000410900000000, 0.0000112000000000, -0.0000794500000000 ] - [ -0.0001093200000000, 0.0000889700000000, 0.0000301300000000 ] - [ 0.0000607600000000, -0.0006992000000000, -0.0002338100000000 ] - [ 0.0001562700000000, -0.0001821200000000, -0.0001153700000000 ] - [ 0.0001256700000000, 0.0001896100000000, -0.0000610500000000 ] - [ 0.0000166000000000, -0.0000534500000000, -0.0000955900000000 ] - [ 0.0001653000000000, 0.0000801600000000, 0.0000597800000000 ] - [ 0.0003580700000000, -0.0001675600000000, -0.0000681700000000 ] - [ 0.0001043200000000, 0.0002955200000000, -0.0000569200000000 ] - [ 0.0000744300000000, -0.0002023800000000, 0.0001103900000000 ] - [ 0.0000488000000000, 0.0001205900000000, 0.0001186500000000 ] - [ 0.0000048000000000, -0.0000884800000000, 0.0001644600000000 ] - [ 0.0000954100000000, 0.0001168200000000, 0.0002026600000000 ] - [ 0.0001468200000000, -0.0001576100000000, 0.0000763200000000 ] - [ 0.0001957400000000, 0.0001647000000000, -0.0000117100000000 ] - [ -0.0000759700000000, -0.0003123200000000, 0.0001335700000000 ] - [ -0.0000425600000000, 0.0002093800000000, 0.0000391700000000 ] - [ 0.0000622200000000, 0.0000144100000000, 0.0002402500000000 ] - [ 0.0060535200000000, -0.0013960700000000, -0.0019753700000000 ] - [ 0.0032479100000000, -0.0012282700000000, 0.0028598300000000 ] - [ -0.0001404400000000, 0.0000653900000000, 0.0000280800000000 ] - [ -0.0000104400000000, -0.0005244500000000, 0.0000509600000000 ] - [ -0.0002024700000000, 0.0001789200000000, 0.0000132600000000 ] - [ -0.0000278900000000, -0.0000956800000000, -0.0001229000000000 ] - [ -0.0001545900000000, 0.0000850500000000, -0.0001332300000000 ] - [ -0.0000847500000000, -0.0002151700000000, 0.0001317400000000 ] - [ -0.0000960700000000, 0.0001025900000000, 0.0000093000000000 ] - [ 0.0000212900000000, 0.0000062700000000, -0.0002428300000000 ] - [ -0.0003455700000000, -0.0010957400000000, -0.0023890300000000 ] - [ 0.0000904800000000, 0.0000782200000000, -0.0005271100000000 ] - [ -0.0002844500000000, -0.0001494500000000, 0.0002725200000000 ] - [ -0.0554349900000000, 0.0162755100000000, 0.0086281700000000 ] - [ -0.0000379900000000, -0.0001012200000000, -0.0000552000000000 ] - [ 0.0000478100000000, 0.0001010200000000, 0.0000634800000000 ] - [ -0.0001162600000000, -0.0002101700000000, 0.0000067600000000 ] - [ -0.0013330400000000, 0.0003252200000000, 0.0005794700000000 ] - [ -0.0000720100000000, -0.0000204800000000, -0.0000914800000000 ] - [ -0.0000970900000000, -0.0000509300000000, -0.0000366200000000 ] - [ 0.0005105800000000, 0.0037947900000000, 0.0007758800000000 ] - [ -0.0000831700000000, -0.0000000300000000, 0.0000024400000000 ] - [ 0.0000065400000000, -0.0000113400000000, -0.0000394900000000 ] - [ 0.0015083000000000, -0.0012549000000000, -0.0004749800000000 ] - [ 0.0003231400000000, 0.0001200200000000, 0.0000978600000000 ] - [ 0.0029389400000000, -0.0013725000000000, 0.0000467800000000 ] - [ 0.0000458100000000, -0.0000100800000000, -0.0001238900000000 ] - [ 0.0000547500000000, 0.0001054800000000, -0.0000528600000000 ] - [ 0.0000445400000000, -0.0002078300000000, -0.0000560000000000 ] - [ 0.0001718600000000, -0.0001805600000000, -0.0000998000000000 ] - [ 0.0002083400000000, 0.0000762900000000, 0.0000285900000000 ] - [ 0.0001770100000000, -0.0000190200000000, 0.0000526000000000 ] - [ 0.0003248700000000, -0.0001146700000000, 0.0000414400000000 ] - [ -0.0000731500000000, 0.0000050000000000, 0.0002095400000000 ] - [ 0.0016878500000000, 0.0013897700000000, -0.0006051900000000 ] - [ -0.0001135600000000, -0.0000771300000000, -0.0000556500000000 ] - [ -0.0001444100000000, 0.0000318600000000, 0.0000110300000000 ] - [ 0.0000962500000000, -0.0000554200000000, 0.0000997900000000 ] - [ 0.0011967700000000, 0.0007587400000000, -0.0011594300000000 ] - [ -0.0000590700000000, 0.0001904600000000, 0.0001054500000000 ] - [ -0.0000262200000000, -0.0002218200000000, 0.0001988000000000 ] - [ 0.0001299400000000, -0.0001486000000000, 0.0001739300000000 ] - [ 0.0009859600000000, 0.0004158100000000, 0.0006131500000000 ] - [ 0.0000357300000000, -0.0000140500000000, -0.0001429200000000 ] - [ 0.0000567400000000, 0.0001283700000000, -0.0000993000000000 ] - [ -0.0002073800000000, 0.0001449200000000, -0.0002235000000000 ] - [ -0.0002829100000000, 0.0000956100000000, -0.0002982700000000 ] - [ -0.0001553500000000, 0.0000666200000000, 0.0000560800000000 ] - [ -0.0003396400000000, 0.0000090300000000, 0.0000659000000000 ] - [ -0.0001569100000000, 0.0000553200000000, 0.0000191700000000 ] - [ -0.0004164500000000, -0.0003546600000000, -0.0002856300000000 ] - [ -0.0000277000000000, 0.0000250300000000, -0.0000360200000000 ] - [ -0.0002211200000000, -0.0003225900000000, -0.0000593600000000 ] - [ 0.0007642600000000, -0.0001985400000000, 0.0007434200000000 ] - [ 0.0004655600000000, -0.0000758800000000, 0.0002600000000000 ] - [ 0.0002544500000000, -0.0001203900000000, -0.0000444300000000 ] - [ 0.0302720500000000, -0.0183333800000000, -0.0052216200000000 ] - [ -0.0015038800000000, 0.0016719000000000, -0.0002121500000000 ] - [ -0.0000856300000000, 0.0001935800000000, 0.0000577800000000 ] - [ 0.0000060000000000, 0.0001586800000000, 0.0000315600000000 ] - [ 0.0007826300000000, -0.0010563600000000, 0.0002723300000000 ] - [ 0.0097411400000000, 0.0018585700000000, -0.0025972800000000 ] - [ 0.0001102200000000, 0.0001083700000000, -0.0002503900000000 ] - [ 0.0000206100000000, -0.0000399900000000, -0.0000862000000000 ] - [ -0.0001115400000000, 0.0004334900000000, -0.0000510600000000 ] - [ -0.0003647600000000, 0.0006906600000000, -0.0003443600000000 ] - [ -0.0000592000000000, -0.0001238800000000, 0.0004782000000000 ] - [ -0.0008564600000000, 0.0002418600000000, 0.0006401300000000 ] - [ -0.0001064500000000, -0.0000453300000000, 0.0000645100000000 ]- atom: 33 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0001157600000000, -0.0000512300000000, -0.0000859800000000 ] - [ 0.0000985900000000, 0.0000091700000000, -0.0000555000000000 ] - [ -0.0001471100000000, 0.0000834900000000, 0.0000401600000000 ] - [ -0.0003333800000000, 0.0005171500000000, 0.0003046500000000 ] - [ -0.0000342800000000, -0.0001591100000000, 0.0000913600000000 ] - [ -0.0000037900000000, 0.0001522300000000, 0.0000354700000000 ] - [ -0.0001951200000000, -0.0001139600000000, 0.0001085900000000 ] - [ -0.0003457400000000, 0.0000858500000000, -0.0000506800000000 ] - [ -0.0002216800000000, -0.0004088600000000, -0.0000522800000000 ] - [ 0.0000322100000000, 0.0002814400000000, -0.0000638800000000 ] - [ -0.0000263100000000, -0.0000663300000000, 0.0001389300000000 ] - [ -0.0000014000000000, 0.0001474800000000, 0.0001309500000000 ] - [ -0.0001129100000000, -0.0000840000000000, 0.0001360600000000 ] - [ -0.0002046600000000, 0.0000563600000000, 0.0000973100000000 ] - [ -0.0000750700000000, -0.0002018400000000, 0.0000977500000000 ] - [ -0.0001230700000000, 0.0001949300000000, 0.0001852200000000 ] - [ 0.0000518100000000, -0.0000949700000000, 0.0000072900000000 ] - [ 0.0000199500000000, 0.0001966700000000, 0.0001017400000000 ] - [ 0.0000720100000000, -0.0000217300000000, 0.0002423200000000 ] - [ -0.0058599600000000, 0.0013742900000000, 0.0024511600000000 ] - [ -0.0033244500000000, 0.0012391100000000, -0.0026535900000000 ] - [ -0.0000272800000000, -0.0000914900000000, 0.0001190600000000 ] - [ -0.0003826500000000, 0.0001191700000000, -0.0000135000000000 ] - [ -0.0001912400000000, 0.0002276200000000, 0.0000243800000000 ] - [ -0.0000011700000000, -0.0000622000000000, -0.0001486100000000 ] - [ 0.0001255400000000, 0.0000738700000000, -0.0001375800000000 ] - [ -0.0000800200000000, -0.0000179500000000, -0.0000656500000000 ] - [ -0.0000684600000000, 0.0001293100000000, 0.0000558000000000 ] - [ 0.0001048800000000, 0.0000780700000000, -0.0000718700000000 ] - [ 0.0004597900000000, 0.0010196900000000, 0.0020571600000000 ] - [ -0.0001549200000000, -0.0002314000000000, 0.0005410500000000 ] - [ 0.0002180000000000, 0.0003121700000000, -0.0002307600000000 ] - [ 0.0538601300000000, -0.0151837200000000, -0.0082730800000000 ] - [ 0.0000249700000000, -0.0001146300000000, -0.0000702600000000 ] - [ 0.0000452600000000, 0.0001648100000000, 0.0000629100000000 ] - [ 0.0002089600000000, -0.0000590500000000, 0.0001199200000000 ] - [ 0.0012716500000000, -0.0002997300000000, -0.0008143900000000 ] - [ 0.0000025200000000, 0.0000287500000000, -0.0001301000000000 ] - [ -0.0000379200000000, -0.0000135900000000, -0.0000336700000000 ] - [ -0.0006432300000000, -0.0037488300000000, -0.0008583600000000 ] - [ 0.0000075200000000, -0.0000776900000000, -0.0000402300000000 ] - [ -0.0000814400000000, 0.0000897300000000, 0.0000018800000000 ] - [ -0.0010178100000000, 0.0012044300000000, 0.0004948500000000 ] - [ 0.0001827100000000, -0.0000478500000000, -0.0000909600000000 ] - [ -0.0030029100000000, 0.0014946800000000, -0.0002220900000000 ] - [ -0.0000359400000000, -0.0000871200000000, -0.0000339000000000 ] - [ 0.0000399600000000, 0.0003118700000000, -0.0000783000000000 ] - [ 0.0000498700000000, -0.0002110000000000, -0.0000755400000000 ] - [ 0.0001158100000000, -0.0000205300000000, 0.0000234600000000 ] - [ 0.0000797700000000, 0.0001246800000000, -0.0001043700000000 ] - [ 0.0001373000000000, -0.0000026000000000, 0.0001072900000000 ] - [ -0.0000093600000000, 0.0001347200000000, 0.0001183600000000 ] - [ -0.0001997200000000, -0.0000719600000000, 0.0000126700000000 ] - [ -0.0019310900000000, -0.0013030300000000, 0.0008121100000000 ] - [ -0.0000001800000000, -0.0000303900000000, 0.0000692900000000 ] - [ 0.0000284600000000, 0.0000765400000000, 0.0000024600000000 ] - [ 0.0000468200000000, -0.0000132300000000, -0.0001146000000000 ] - [ -0.0010758600000000, -0.0007025900000000, 0.0011677600000000 ] - [ -0.0000426600000000, 0.0001126800000000, 0.0001303700000000 ] - [ -0.0000753400000000, -0.0000814500000000, 0.0000360500000000 ] - [ 0.0000339200000000, -0.0001641400000000, -0.0003868700000000 ] - [ -0.0008349600000000, -0.0001132900000000, -0.0008867300000000 ] - [ -0.0000745700000000, -0.0001875100000000, -0.0000008000000000 ] - [ -0.0000946800000000, 0.0000754800000000, -0.0000457600000000 ] - [ -0.0001414900000000, 0.0000724000000000, -0.0001574200000000 ] - [ -0.0000662800000000, -0.0003099600000000, -0.0000823500000000 ] - [ -0.0000400900000000, 0.0000918400000000, -0.0000866000000000 ] - [ 0.0001436100000000, -0.0001666700000000, -0.0000932300000000 ] - [ 0.0002249900000000, 0.0000882000000000, -0.0001426900000000 ] - [ 0.0004869100000000, 0.0002094600000000, 0.0001643100000000 ] - [ 0.0000649600000000, 0.0000121800000000, -0.0000329300000000 ] - [ 0.0002704100000000, 0.0002602500000000, -0.0000178000000000 ] - [ -0.0005511400000000, 0.0001695300000000, -0.0007003500000000 ] - [ -0.0002621900000000, 0.0001071800000000, -0.0002307100000000 ] - [ 0.0000728900000000, 0.0001743400000000, -0.0001442500000000 ] - [ -0.0284994200000000, 0.0173934600000000, 0.0045984800000000 ] - [ 0.0013165800000000, -0.0019323100000000, 0.0003104900000000 ] - [ -0.0001042000000000, 0.0000668300000000, 0.0000480400000000 ] - [ 0.0000043700000000, 0.0000063400000000, 0.0000297500000000 ] - [ -0.0007780800000000, 0.0008954200000000, -0.0001952800000000 ] - [ -0.0095432400000000, -0.0019361100000000, 0.0024990500000000 ] - [ 0.0000471100000000, -0.0000127400000000, 0.0001484100000000 ] - [ -0.0002188600000000, 0.0001024000000000, 0.0001445300000000 ] - [ -0.0000872300000000, -0.0004969300000000, 0.0001124700000000 ] - [ 0.0002978600000000, -0.0008973800000000, 0.0004231600000000 ] - [ -0.0000072900000000, 0.0003263100000000, -0.0004096000000000 ] - [ 0.0008777200000000, -0.0002848000000000, -0.0005005200000000 ] - [ 0.0001303200000000, 0.0000832200000000, 0.0000791100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001376000000000, -0.0000991900000000, -0.0000369700000000 ] - [ 0.0000738900000000, 0.0000249700000000, -0.0000678800000000 ] - [ -0.0001739100000000, 0.0000400400000000, 0.0000865700000000 ] - [ -0.0005055600000000, 0.0006672800000000, -0.0002323800000000 ] - [ -0.0000298300000000, -0.0001797600000000, 0.0001093400000000 ] - [ 0.0000088500000000, 0.0001222100000000, 0.0000455200000000 ] - [ -0.0000919400000000, -0.0001176900000000, 0.0000299500000000 ] - [ -0.0000724900000000, 0.0001348200000000, -0.0000425000000000 ] - [ -0.0001027200000000, -0.0004626900000000, -0.0000045900000000 ] - [ 0.0000737700000000, 0.0001956100000000, -0.0000724700000000 ] - [ -0.0000435300000000, 0.0000264600000000, 0.0001588100000000 ] - [ 0.0000436800000000, 0.0002120300000000, 0.0001178100000000 ] - [ -0.0000842000000000, -0.0000904700000000, 0.0001197600000000 ] - [ -0.0000553200000000, 0.0002057800000000, 0.0001443500000000 ] - [ 0.0000136900000000, -0.0001675000000000, 0.0001155300000000 ] - [ -0.0000589800000000, 0.0001816700000000, 0.0001702800000000 ] - [ -0.0001012600000000, -0.0002700000000000, -0.0000206700000000 ] - [ 0.0000685900000000, 0.0002509400000000, 0.0000382300000000 ] - [ 0.0000974200000000, -0.0000074000000000, 0.0002427400000000 ] - [ -0.0041586400000000, -0.0007286700000000, 0.0025904200000000 ] - [ 0.0007516700000000, -0.0009925000000000, -0.0003555900000000 ] - [ -0.0000273900000000, -0.0001288100000000, 0.0000204600000000 ] - [ -0.0004913200000000, 0.0004488800000000, -0.0000064600000000 ] - [ -0.0001685600000000, 0.0003197200000000, 0.0000273700000000 ] - [ 0.0000265800000000, -0.0000101800000000, -0.0001997300000000 ] - [ -0.0000353700000000, 0.0001819800000000, -0.0000041200000000 ] - [ -0.0001452800000000, -0.0001903900000000, -0.0000612900000000 ] - [ -0.0000848000000000, 0.0002170800000000, 0.0000373600000000 ] - [ 0.0001455900000000, 0.0001182700000000, 0.0000654500000000 ] - [ 0.0004637300000000, 0.0005535800000000, 0.0006247400000000 ] - [ -0.0003998200000000, -0.0006773600000000, -0.0018397400000000 ] - [ 0.0002339600000000, 0.0006897800000000, -0.0010662900000000 ] - [ 0.0156945900000000, -0.0781781900000000, 0.0079031300000000 ] - [ -0.0000093900000000, -0.0002026200000000, -0.0001125700000000 ] - [ -0.0000453400000000, 0.0003220100000000, 0.0000057400000000 ] - [ 0.0000793100000000, 0.0000095900000000, 0.0002250500000000 ] - [ 0.0040300400000000, 0.0052745500000000, -0.0032750700000000 ] - [ -0.0000328100000000, 0.0001187900000000, -0.0001171000000000 ] - [ -0.0001453200000000, 0.0000030800000000, -0.0000899900000000 ] - [ 0.0008766700000000, 0.0027316900000000, 0.0021684500000000 ] - [ 0.0000740100000000, -0.0000788400000000, -0.0001057900000000 ] - [ -0.0002274600000000, 0.0001670200000000, 0.0000573000000000 ] - [ -0.0014831400000000, 0.0012202900000000, 0.0004863700000000 ] - [ 0.0002451400000000, -0.0000722700000000, -0.0000159300000000 ] - [ -0.0012932500000000, 0.0007685400000000, 0.0001443200000000 ] - [ -0.0000499300000000, -0.0001576600000000, -0.0000636600000000 ] - [ 0.0001450300000000, 0.0005718400000000, -0.0000845400000000 ] - [ 0.0000414200000000, -0.0001485600000000, -0.0000670700000000 ] - [ 0.0001623700000000, 0.0000826400000000, 0.0000982200000000 ] - [ 0.0001732500000000, 0.0001086100000000, 0.0000268700000000 ] - [ 0.0001831600000000, 0.0000724800000000, 0.0001338300000000 ] - [ -0.0000002800000000, 0.0001476600000000, 0.0001286500000000 ] - [ -0.0001495600000000, -0.0001814100000000, -0.0000401100000000 ] - [ 0.0016334300000000, 0.0002836900000000, -0.0002261500000000 ] - [ -0.0000119000000000, 0.0001068900000000, 0.0001442600000000 ] - [ 0.0000397900000000, 0.0003526100000000, -0.0000372200000000 ] - [ -0.0000187100000000, -0.0000778200000000, -0.0001346300000000 ] - [ 0.0007463600000000, -0.0004484100000000, -0.0001441700000000 ] - [ 0.0000129100000000, 0.0000893900000000, 0.0000117000000000 ] - [ -0.0000722000000000, -0.0000633900000000, 0.0000411100000000 ] - [ 0.0001816700000000, 0.0001002800000000, -0.0005946100000000 ] - [ 0.0014388200000000, 0.0014183000000000, 0.0027285000000000 ] - [ -0.0001529100000000, -0.0004802400000000, 0.0003591000000000 ] - [ -0.0001386200000000, -0.0001918500000000, -0.0001133600000000 ] - [ -0.0001844900000000, -0.0001004800000000, -0.0000713800000000 ] - [ -0.0002201400000000, -0.0005656100000000, -0.0001209700000000 ] - [ -0.0000551400000000, -0.0000302200000000, -0.0001520200000000 ] - [ -0.0000129500000000, -0.0001493300000000, -0.0001574500000000 ] - [ 0.0001554800000000, 0.0001604600000000, -0.0001219300000000 ] - [ -0.0003243300000000, -0.0000473900000000, -0.0004226600000000 ] - [ -0.0000307700000000, -0.0000663200000000, -0.0000189400000000 ] - [ 0.0011074700000000, -0.0017833400000000, -0.0003736400000000 ] - [ -0.0007252400000000, 0.0018021200000000, 0.0001824700000000 ] - [ -0.0002848000000000, -0.0002863100000000, 0.0003739100000000 ] - [ -0.0000028800000000, 0.0004363800000000, -0.0002827900000000 ] - [ -0.0167301300000000, 0.0224501500000000, 0.0012458900000000 ] - [ -0.0004100800000000, -0.0013001700000000, 0.0000534900000000 ] - [ -0.0000263200000000, -0.0002119600000000, 0.0000187900000000 ] - [ 0.0001113100000000, -0.0003073800000000, 0.0000650200000000 ] - [ -0.0004693700000000, 0.0017198400000000, 0.0006635000000000 ] - [ -0.0006801600000000, 0.0448427400000000, -0.0115938200000000 ] - [ 0.0003809600000000, -0.0000032800000000, 0.0004535800000000 ] - [ -0.0002271200000000, 0.0000406800000000, 0.0000477200000000 ] - [ 0.0001202500000000, -0.0009826100000000, 0.0000613500000000 ] - [ 0.0003812900000000, -0.0006837300000000, 0.0003494200000000 ] - [ -0.0000686500000000, 0.0002815100000000, -0.0000260500000000 ] - [ 0.0008804300000000, 0.0003572200000000, -0.0004154000000000 ] - [ 0.0000801400000000, 0.0002898600000000, 0.0000672400000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000034100000000, 0.0000798300000000, -0.0000991000000000 ] - [ 0.0000666000000000, -0.0000048400000000, -0.0000686200000000 ] - [ -0.0000840800000000, 0.0001323300000000, -0.0000167600000000 ] - [ 0.0002699200000000, -0.0008564600000000, 0.0003034600000000 ] - [ 0.0001504000000000, -0.0001578900000000, -0.0001349100000000 ] - [ 0.0001127800000000, 0.0002163900000000, -0.0000725100000000 ] - [ -0.0000859200000000, -0.0000494300000000, -0.0000182000000000 ] - [ -0.0001050300000000, 0.0000326500000000, 0.0000532200000000 ] - [ 0.0002390300000000, -0.0001161500000000, -0.0001158000000000 ] - [ 0.0000646200000000, 0.0003799200000000, -0.0000487800000000 ] - [ 0.0000929600000000, -0.0002956400000000, 0.0000899200000000 ] - [ 0.0000059800000000, 0.0000593600000000, 0.0001310700000000 ] - [ -0.0000246500000000, -0.0000809300000000, 0.0001824600000000 ] - [ -0.0000536000000000, -0.0000321600000000, 0.0001575300000000 ] - [ 0.0000586900000000, -0.0001909100000000, 0.0000565700000000 ] - [ 0.0001312400000000, 0.0001778200000000, 0.0000014100000000 ] - [ 0.0000737600000000, -0.0001334100000000, 0.0001581500000000 ] - [ -0.0000930100000000, 0.0001556300000000, 0.0000992100000000 ] - [ 0.0000358400000000, 0.0000019700000000, 0.0002423500000000 ] - [ 0.0043066600000000, 0.0007531600000000, -0.0021251200000000 ] - [ -0.0009493800000000, 0.0010229900000000, 0.0004914200000000 ] - [ -0.0001414300000000, 0.0001020400000000, 0.0001251100000000 ] - [ 0.0000955200000000, -0.0008562400000000, 0.0000424500000000 ] - [ -0.0002272400000000, 0.0000875600000000, 0.0000097700000000 ] - [ -0.0000560300000000, -0.0001479400000000, -0.0000698700000000 ] - [ 0.0000012200000000, -0.0000184700000000, -0.0002633300000000 ] - [ -0.0000195700000000, -0.0000343400000000, 0.0001228400000000 ] - [ -0.0000803300000000, 0.0000136700000000, 0.0000259300000000 ] - [ -0.0000158500000000, -0.0000276600000000, -0.0003749700000000 ] - [ -0.0003481100000000, -0.0006299700000000, -0.0009208300000000 ] - [ 0.0003362500000000, 0.0005228000000000, 0.0018871000000000 ] - [ -0.0002956800000000, -0.0005169000000000, 0.0010930800000000 ] - [ -0.0157475800000000, 0.0805912300000000, -0.0088170200000000 ] - [ -0.0000000400000000, -0.0000141500000000, -0.0000107300000000 ] - [ 0.0001404200000000, -0.0000542200000000, 0.0001228200000000 ] - [ 0.0000184600000000, -0.0002677000000000, -0.0000977900000000 ] - [ -0.0041502600000000, -0.0053658000000000, 0.0030847300000000 ] - [ -0.0000365500000000, -0.0001096400000000, -0.0001070900000000 ] - [ 0.0000085400000000, -0.0000643800000000, 0.0000234200000000 ] - [ -0.0010461800000000, -0.0027097300000000, -0.0022710400000000 ] - [ -0.0001504500000000, 0.0000037200000000, 0.0000725800000000 ] - [ 0.0001472500000000, -0.0000890500000000, -0.0000899500000000 ] - [ 0.0019583000000000, -0.0012732400000000, -0.0004681600000000 ] - [ 0.0002625000000000, 0.0001448300000000, 0.0000227800000000 ] - [ 0.0013028800000000, -0.0006760400000000, -0.0003002600000000 ] - [ 0.0000560200000000, 0.0000604700000000, -0.0000927400000000 ] - [ -0.0000565500000000, -0.0001542200000000, -0.0000445800000000 ] - [ 0.0000473800000000, -0.0002659500000000, -0.0000611700000000 ] - [ 0.0001222100000000, -0.0002849400000000, -0.0001728500000000 ] - [ 0.0001123300000000, 0.0000960800000000, -0.0001024800000000 ] - [ 0.0001330400000000, -0.0000941000000000, 0.0000276600000000 ] - [ 0.0003127800000000, -0.0001204700000000, 0.0000322600000000 ] - [ -0.0001253300000000, 0.0001103700000000, 0.0002620400000000 ] - [ -0.0018964200000000, -0.0002097000000000, 0.0004445300000000 ] - [ -0.0000992900000000, -0.0002095800000000, -0.0001299300000000 ] - [ -0.0001513500000000, -0.0002462200000000, 0.0000476700000000 ] - [ 0.0001577300000000, 0.0000109200000000, 0.0001172900000000 ] - [ -0.0006138500000000, 0.0005217300000000, 0.0001260300000000 ] - [ -0.0001167800000000, 0.0002170900000000, 0.0002226900000000 ] - [ -0.0000320000000000, -0.0002412000000000, 0.0001924000000000 ] - [ -0.0000122200000000, -0.0004073700000000, 0.0003795100000000 ] - [ -0.0012760800000000, -0.0010757700000000, -0.0029450400000000 ] - [ 0.0001147000000000, 0.0002807300000000, -0.0005088800000000 ] - [ 0.0000982200000000, 0.0003919200000000, -0.0000314900000000 ] - [ -0.0001601400000000, 0.0003169000000000, -0.0003091400000000 ] - [ -0.0001246200000000, 0.0003454200000000, -0.0002576300000000 ] - [ -0.0001381700000000, 0.0001872300000000, 0.0001191000000000 ] - [ -0.0001797700000000, -0.0000074400000000, 0.0001262500000000 ] - [ -0.0000874100000000, -0.0000177400000000, -0.0000008800000000 ] - [ 0.0003866100000000, -0.0000959900000000, 0.0002960400000000 ] - [ 0.0000636100000000, 0.0001010500000000, -0.0000500400000000 ] - [ -0.0010863600000000, 0.0017544400000000, 0.0003148000000000 ] - [ 0.0009430800000000, -0.0018459700000000, -0.0001444800000000 ] - [ 0.0004823100000000, 0.0003149600000000, -0.0003384700000000 ] - [ 0.0003252700000000, -0.0003750900000000, 0.0000906300000000 ] - [ 0.0174449900000000, -0.0226797900000000, -0.0014722600000000 ] - [ 0.0002278700000000, 0.0010346700000000, 0.0000614100000000 ] - [ -0.0001627600000000, 0.0004654000000000, 0.0000848800000000 ] - [ -0.0000983600000000, 0.0004674400000000, -0.0000043200000000 ] - [ 0.0004944600000000, -0.0019371600000000, -0.0006319700000000 ] - [ 0.0005828800000000, -0.0469138800000000, 0.0123250400000000 ] - [ -0.0002189900000000, 0.0001013400000000, -0.0005518100000000 ] - [ 0.0000256000000000, 0.0000203800000000, 0.0000057900000000 ] - [ -0.0003152900000000, 0.0009120000000000, -0.0000050800000000 ] - [ -0.0004456100000000, 0.0004875500000000, -0.0002708400000000 ] - [ 0.0000020900000000, -0.0000847900000000, 0.0001070300000000 ] - [ -0.0008510100000000, -0.0003860300000000, 0.0005590700000000 ] - [ -0.0000570500000000, -0.0002493200000000, 0.0000754300000000 ]- atom: 33 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000545600000000, 0.0000135900000000, -0.0000531800000000 ] - [ 0.0000761300000000, 0.0000024500000000, -0.0000890700000000 ] - [ -0.0001054300000000, 0.0001131800000000, -0.0000287200000000 ] - [ -0.0004922100000000, -0.0002691400000000, -0.0005868000000000 ] - [ 0.0000506000000000, -0.0001342200000000, -0.0000673300000000 ] - [ 0.0000737400000000, 0.0001979400000000, 0.0000319700000000 ] - [ -0.0001189900000000, -0.0001095200000000, 0.0000940100000000 ] - [ -0.0001099100000000, 0.0000486000000000, -0.0000195900000000 ] - [ 0.0001192000000000, -0.0002269200000000, -0.0000927200000000 ] - [ 0.0000764800000000, 0.0003040100000000, -0.0000390000000000 ] - [ 0.0000423300000000, -0.0001675000000000, 0.0001045100000000 ] - [ 0.0000139500000000, 0.0001187300000000, 0.0001471700000000 ] - [ -0.0000444900000000, -0.0000827600000000, 0.0001738100000000 ] - [ -0.0000896600000000, 0.0000478900000000, 0.0001338700000000 ] - [ 0.0000571000000000, -0.0001761600000000, 0.0000687800000000 ] - [ -0.0000023300000000, 0.0001884400000000, 0.0001364700000000 ] - [ 0.0000946000000000, -0.0003188400000000, 0.0000446300000000 ] - [ -0.0000825700000000, 0.0001664200000000, 0.0000789700000000 ] - [ 0.0000447400000000, 0.0000106600000000, 0.0002731100000000 ] - [ -0.0002647800000000, 0.0009467600000000, 0.0007218700000000 ] - [ 0.0014521000000000, -0.0015175800000000, 0.0006881200000000 ] - [ -0.0000611600000000, -0.0000588100000000, 0.0001646700000000 ] - [ -0.0001226400000000, -0.0003233400000000, 0.0000882400000000 ] - [ -0.0002125100000000, 0.0001771200000000, 0.0000260100000000 ] - [ -0.0000253000000000, -0.0000964700000000, -0.0000854300000000 ] - [ 0.0000062200000000, 0.0001944300000000, -0.0002917000000000 ] - [ 0.0000040800000000, -0.0002121600000000, -0.0000189100000000 ] - [ -0.0000903000000000, 0.0000661200000000, 0.0000439200000000 ] - [ 0.0001011900000000, 0.0000925100000000, -0.0000379800000000 ] - [ -0.0022705700000000, 0.0040438500000000, 0.0026650800000000 ] - [ 0.0013083300000000, -0.0029417900000000, 0.0034321000000000 ] - [ -0.0002954700000000, -0.0005392800000000, 0.0010345000000000 ] - [ 0.0085276600000000, 0.0085754000000000, -0.0292503400000000 ] - [ 0.0000009000000000, -0.0000559700000000, 0.0000367200000000 ] - [ 0.0000726100000000, 0.0001024500000000, 0.0001095900000000 ] - [ -0.0000528100000000, -0.0000164400000000, -0.0000138700000000 ] - [ -0.0008674100000000, -0.0020222000000000, 0.0012389400000000 ] - [ -0.0000365800000000, -0.0000285800000000, -0.0000897600000000 ] - [ 0.0000134700000000, -0.0000222600000000, 0.0000637800000000 ] - [ -0.0004850600000000, 0.0024390900000000, -0.0004288900000000 ] - [ -0.0001411400000000, -0.0000484100000000, 0.0001043000000000 ] - [ 0.0000338500000000, 0.0000048200000000, -0.0000730900000000 ] - [ -0.0006876800000000, 0.0008783400000000, 0.0003876200000000 ] - [ 0.0004150600000000, 0.0001654500000000, 0.0001611600000000 ] - [ 0.0010520100000000, -0.0003990100000000, -0.0003167900000000 ] - [ -0.0000134000000000, -0.0000356700000000, -0.0000103300000000 ] - [ 0.0000378400000000, 0.0001964900000000, -0.0000746500000000 ] - [ 0.0000408600000000, -0.0002110800000000, -0.0000388600000000 ] - [ 0.0001044900000000, -0.0001137100000000, -0.0000633500000000 ] - [ 0.0001833700000000, 0.0000769100000000, 0.0000219200000000 ] - [ 0.0001365100000000, -0.0000329700000000, 0.0000772300000000 ] - [ 0.0001969700000000, 0.0000135100000000, 0.0000676100000000 ] - [ -0.0001009200000000, -0.0000116100000000, 0.0001936100000000 ] - [ -0.0011775000000000, -0.0003958100000000, 0.0002842200000000 ] - [ -0.0000690600000000, -0.0000346000000000, -0.0000114400000000 ] - [ -0.0000734600000000, -0.0000574500000000, 0.0000560200000000 ] - [ 0.0001545000000000, -0.0000618400000000, 0.0000640500000000 ] - [ -0.0008083400000000, -0.0001674700000000, 0.0006379900000000 ] - [ -0.0000928300000000, 0.0001571800000000, 0.0001892100000000 ] - [ -0.0000404300000000, -0.0001760200000000, 0.0001338000000000 ] - [ 0.0002825500000000, -0.0004567900000000, -0.0004267000000000 ] - [ 0.0014445800000000, 0.0009297600000000, 0.0036413300000000 ] - [ 0.0000294500000000, 0.0000367100000000, -0.0002285900000000 ] - [ -0.0000072400000000, 0.0001182800000000, -0.0000536400000000 ] - [ -0.0001546400000000, 0.0001592300000000, -0.0002376500000000 ] - [ -0.0001678300000000, -0.0000338700000000, -0.0002020200000000 ] - [ -0.0001359100000000, 0.0000816100000000, -0.0000032700000000 ] - [ -0.0000815500000000, -0.0001153000000000, 0.0000103400000000 ] - [ -0.0000201600000000, 0.0001098300000000, -0.0001788300000000 ] - [ 0.0002255300000000, -0.0000596400000000, 0.0001414300000000 ] - [ 0.0000653600000000, 0.0000389600000000, -0.0000390100000000 ] - [ -0.0006544300000000, 0.0004086300000000, -0.0006164100000000 ] - [ 0.0005297000000000, 0.0007148500000000, 0.0009846500000000 ] - [ 0.0004208100000000, 0.0002634600000000, -0.0000841600000000 ] - [ 0.0001189100000000, -0.0000779600000000, -0.0003357200000000 ] - [ -0.0069164000000000, 0.0019250800000000, 0.0062578800000000 ] - [ 0.0003879400000000, -0.0007833400000000, -0.0007276600000000 ] - [ -0.0000923000000000, 0.0001691400000000, 0.0000565300000000 ] - [ -0.0000203700000000, 0.0000232500000000, -0.0001051100000000 ] - [ 0.0009080800000000, -0.0006086200000000, 0.0017298300000000 ] - [ -0.0011355800000000, -0.0112321400000000, 0.0084381900000000 ] - [ -0.0001515000000000, 0.0001098000000000, -0.0004658800000000 ] - [ -0.0001306400000000, -0.0000356800000000, -0.0001572400000000 ] - [ -0.0000718800000000, -0.0001040900000000, 0.0001971700000000 ] - [ -0.0002050100000000, 0.0002062600000000, -0.0000263900000000 ] - [ 0.0000536200000000, 0.0001445300000000, -0.0002231300000000 ] - [ 0.0000725000000000, -0.0001718800000000, 0.0004909400000000 ] - [ -0.0001040800000000, -0.0000368000000000, -0.0000346600000000 ]- atom: 33 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000861100000000, -0.0000331600000000, -0.0000829200000000 ] - [ 0.0000644000000000, 0.0000175200000000, -0.0000471700000000 ] - [ -0.0001529300000000, 0.0000591500000000, 0.0000985100000000 ] - [ 0.0002336700000000, 0.0000982600000000, 0.0006507700000000 ] - [ 0.0000706500000000, -0.0002034500000000, 0.0000419900000000 ] - [ 0.0000472000000000, 0.0001402800000000, -0.0000568500000000 ] - [ -0.0000594100000000, -0.0000579400000000, -0.0000817300000000 ] - [ -0.0000692000000000, 0.0001182700000000, 0.0000308300000000 ] - [ 0.0000180700000000, -0.0003506700000000, -0.0000273400000000 ] - [ 0.0000618400000000, 0.0002718400000000, -0.0000818800000000 ] - [ 0.0000070400000000, -0.0001022800000000, 0.0001440600000000 ] - [ 0.0000353100000000, 0.0001518100000000, 0.0001017500000000 ] - [ -0.0000646300000000, -0.0000891600000000, 0.0001284200000000 ] - [ -0.0000200700000000, 0.0001248200000000, 0.0001682800000000 ] - [ 0.0000150000000000, -0.0001826000000000, 0.0001026800000000 ] - [ 0.0000749400000000, 0.0001707400000000, 0.0000352400000000 ] - [ -0.0001187200000000, -0.0000872500000000, 0.0000930800000000 ] - [ 0.0000582000000000, 0.0002399500000000, 0.0000589700000000 ] - [ 0.0000883600000000, -0.0000159300000000, 0.0002120400000000 ] - [ 0.0003488000000000, -0.0009379500000000, -0.0002205500000000 ] - [ -0.0016045400000000, 0.0015427000000000, -0.0005475700000000 ] - [ -0.0001088900000000, 0.0000335100000000, -0.0000188300000000 ] - [ -0.0002758400000000, -0.0000779900000000, -0.0000510700000000 ] - [ -0.0001840200000000, 0.0002289400000000, 0.0000110900000000 ] - [ -0.0000044200000000, -0.0000618600000000, -0.0001847800000000 ] - [ -0.0000352400000000, -0.0000361100000000, 0.0000236300000000 ] - [ -0.0001683400000000, -0.0000169600000000, 0.0000812500000000 ] - [ -0.0000748400000000, 0.0001635000000000, 0.0000203400000000 ] - [ 0.0000280000000000, -0.0000031100000000, -0.0002737100000000 ] - [ 0.0024536100000000, -0.0041944900000000, -0.0030469000000000 ] - [ -0.0013574300000000, 0.0027009200000000, -0.0033037700000000 ] - [ 0.0002362600000000, 0.0007214100000000, -0.0010170700000000 ] - [ -0.0084047100000000, -0.0081255500000000, 0.0292819100000000 ] - [ -0.0000096800000000, -0.0001590600000000, -0.0001596000000000 ] - [ 0.0000218200000000, 0.0001651500000000, 0.0000183600000000 ] - [ 0.0001465700000000, -0.0002520800000000, 0.0001424900000000 ] - [ 0.0008204400000000, 0.0020376400000000, -0.0014700400000000 ] - [ -0.0000338700000000, 0.0000372600000000, -0.0001337400000000 ] - [ -0.0001508700000000, -0.0000392100000000, -0.0001305500000000 ] - [ 0.0003392800000000, -0.0023813000000000, 0.0003711800000000 ] - [ 0.0000641500000000, -0.0000276300000000, -0.0001377600000000 ] - [ -0.0001114700000000, 0.0000726000000000, 0.0000396500000000 ] - [ 0.0011769500000000, -0.0009332500000000, -0.0003770300000000 ] - [ 0.0000901100000000, -0.0000945100000000, -0.0001557200000000 ] - [ -0.0010477500000000, 0.0004976900000000, 0.0001653600000000 ] - [ 0.0000191200000000, -0.0000614100000000, -0.0001454900000000 ] - [ 0.0000513700000000, 0.0002210500000000, -0.0000535900000000 ] - [ 0.0000479000000000, -0.0002055000000000, -0.0000897900000000 ] - [ 0.0001806400000000, -0.0000895600000000, -0.0000115700000000 ] - [ 0.0001021000000000, 0.0001268300000000, -0.0000959400000000 ] - [ 0.0001792700000000, 0.0000105800000000, 0.0000836100000000 ] - [ 0.0001177900000000, 0.0000103100000000, 0.0000936400000000 ] - [ -0.0001733100000000, -0.0000577500000000, 0.0000292300000000 ] - [ 0.0009083500000000, 0.0004638400000000, -0.0000579500000000 ] - [ -0.0000440600000000, -0.0000701600000000, 0.0000242400000000 ] - [ -0.0000403300000000, 0.0001635100000000, -0.0000444300000000 ] - [ -0.0000159600000000, -0.0000043100000000, -0.0000809800000000 ] - [ 0.0009401200000000, 0.0002284800000000, -0.0006484900000000 ] - [ -0.0000108600000000, 0.0001477800000000, 0.0000442200000000 ] - [ -0.0000636300000000, -0.0001288200000000, 0.0001005400000000 ] - [ -0.0001132200000000, 0.0001442000000000, 0.0002143800000000 ] - [ -0.0013959300000000, -0.0006501400000000, -0.0040660900000000 ] - [ -0.0000694100000000, -0.0002377400000000, 0.0000850800000000 ] - [ -0.0000323900000000, 0.0000834100000000, -0.0000923700000000 ] - [ -0.0001819900000000, 0.0000566900000000, -0.0001422500000000 ] - [ -0.0001689900000000, -0.0001829300000000, -0.0001783900000000 ] - [ -0.0000542900000000, 0.0000773900000000, -0.0000278700000000 ] - [ -0.0001085900000000, -0.0000439100000000, -0.0000427700000000 ] - [ 0.0000918500000000, 0.0000323100000000, 0.0000550400000000 ] - [ -0.0001538600000000, -0.0000837000000000, -0.0002652500000000 ] - [ -0.0000351900000000, -0.0000035600000000, -0.0000276500000000 ] - [ 0.0006843400000000, -0.0004576700000000, 0.0005444800000000 ] - [ -0.0003379600000000, -0.0007458000000000, -0.0009365200000000 ] - [ -0.0002267300000000, -0.0002351800000000, 0.0001133800000000 ] - [ 0.0001995800000000, 0.0001385000000000, 0.0001431000000000 ] - [ 0.0072671700000000, -0.0019401300000000, -0.0064029600000000 ] - [ -0.0005727600000000, 0.0005125100000000, 0.0008288700000000 ] - [ -0.0001014000000000, 0.0000865400000000, 0.0000454600000000 ] - [ 0.0000312100000000, 0.0001375300000000, 0.0001710600000000 ] - [ -0.0008867200000000, 0.0004613700000000, -0.0016710300000000 ] - [ 0.0012083700000000, 0.0109809500000000, -0.0085742300000000 ] - [ 0.0003141200000000, -0.0000134900000000, 0.0003646100000000 ] - [ -0.0000739100000000, 0.0001009600000000, 0.0002080200000000 ] - [ -0.0001326700000000, 0.0000357600000000, -0.0001436100000000 ] - [ 0.0001445400000000, -0.0004006400000000, 0.0001060100000000 ] - [ -0.0001142000000000, 0.0000503800000000, 0.0003031200000000 ] - [ -0.0000423500000000, 0.0001381200000000, -0.0003504600000000 ] - [ 0.0001329600000000, 0.0000730000000000, 0.0001762700000000 ]- atom: 35 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000287000000000, -0.0000333000000000, -0.0000975800000000 ] - [ 0.0000057000000000, 0.0000544700000000, -0.0000738800000000 ] - [ -0.0006519800000000, -0.0005715100000000, 0.0003395200000000 ] - [ -0.0001078500000000, -0.0000562000000000, -0.0000168700000000 ] - [ 0.0000883500000000, -0.0001607000000000, -0.0000087900000000 ] - [ 0.0000709400000000, 0.0001540300000000, -0.0000366600000000 ] - [ 0.0000077400000000, -0.0001434300000000, 0.0000434500000000 ] - [ -0.0000439300000000, 0.0001036500000000, 0.0000291100000000 ] - [ 0.0001043600000000, -0.0003088700000000, -0.0000450100000000 ] - [ 0.0001406400000000, 0.0001896400000000, -0.0000647600000000 ] - [ 0.0000582100000000, -0.0001251100000000, 0.0001247100000000 ] - [ 0.0002166700000000, 0.0002396400000000, 0.0000315800000000 ] - [ 0.0002060500000000, -0.0000823900000000, 0.0002259600000000 ] - [ 0.0000642200000000, 0.0000849300000000, 0.0001949200000000 ] - [ 0.0002591100000000, -0.0001679300000000, -0.0000111300000000 ] - [ 0.0001360800000000, 0.0001632300000000, 0.0000625200000000 ] - [ -0.0000146700000000, -0.0002244700000000, 0.0000927200000000 ] - [ 0.0001256000000000, 0.0000662700000000, 0.0001149800000000 ] - [ 0.0002423600000000, -0.0001451700000000, 0.0002750900000000 ] - [ 0.0000587000000000, -0.0000301400000000, 0.0002534300000000 ] - [ -0.0001422800000000, -0.0001742600000000, 0.0000084200000000 ] - [ 0.0001621100000000, -0.0004206100000000, 0.0002336800000000 ] - [ -0.0002673300000000, -0.0001289000000000, 0.0000514100000000 ] - [ 0.0040272600000000, -0.0008467100000000, 0.0014304800000000 ] - [ 0.0033111800000000, -0.0018700600000000, -0.0006644500000000 ] - [ -0.0000887800000000, 0.0001336700000000, -0.0000631900000000 ] - [ 0.0003005200000000, 0.0002574300000000, -0.0002859400000000 ] - [ 0.0010625200000000, 0.0005384000000000, 0.0039338700000000 ] - [ 0.0002928300000000, -0.0022565400000000, -0.0026815600000000 ] - [ 0.0000538500000000, -0.0001129600000000, -0.0001231000000000 ] - [ -0.0000293800000000, -0.0001909200000000, -0.0000392000000000 ] - [ -0.0001834100000000, 0.0000490300000000, 0.0000900300000000 ] - [ -0.0000014800000000, 0.0000134400000000, -0.0000334700000000 ] - [ -0.0001648900000000, -0.0001366600000000, -0.0001585700000000 ] - [ -0.0367642800000000, 0.0271964200000000, -0.0175386200000000 ] - [ 0.0000561800000000, -0.0001084500000000, 0.0001070600000000 ] - [ -0.0002063600000000, -0.0002028000000000, 0.0001096900000000 ] - [ -0.0006351900000000, 0.0016375800000000, -0.0019596800000000 ] - [ -0.0006071300000000, 0.0027793700000000, -0.0001633900000000 ] - [ -0.0001066300000000, 0.0000076200000000, -0.0000353600000000 ] - [ 0.0004757900000000, -0.0005472400000000, -0.0002279700000000 ] - [ -0.0000216400000000, 0.0000658700000000, 0.0000138500000000 ] - [ 0.0002664100000000, -0.0000019700000000, 0.0000082000000000 ] - [ 0.0001611100000000, -0.0000697300000000, -0.0000998600000000 ] - [ 0.0000008100000000, 0.0000467000000000, -0.0000549600000000 ] - [ 0.0000070900000000, -0.0001210600000000, -0.0000901700000000 ] - [ 0.0000857100000000, 0.0002553600000000, -0.0000398700000000 ] - [ 0.0023019700000000, -0.0013123600000000, -0.0008656200000000 ] - [ 0.0004182600000000, 0.0001174600000000, 0.0001817800000000 ] - [ 0.0001615100000000, 0.0000959100000000, -0.0001323900000000 ] - [ 0.0004042000000000, 0.0001280000000000, 0.0000255400000000 ] - [ 0.0001671000000000, 0.0000346900000000, 0.0000655300000000 ] - [ -0.0000246100000000, -0.0002448700000000, 0.0000042200000000 ] - [ -0.0000612200000000, -0.0000673200000000, 0.0003022700000000 ] - [ -0.0005360100000000, -0.0002126900000000, -0.0006646800000000 ] - [ -0.0005020300000000, 0.0008297200000000, 0.0014203300000000 ] - [ -0.0000572000000000, -0.0000903400000000, 0.0000365800000000 ] - [ 0.0000590900000000, 0.0000002200000000, 0.0000190800000000 ] - [ 0.0000527800000000, 0.0000695700000000, 0.0001077000000000 ] - [ -0.0000661100000000, -0.0001549400000000, 0.0001287500000000 ] - [ 0.0004041500000000, -0.0001605900000000, -0.0001542500000000 ] - [ 0.0001582900000000, 0.0002690000000000, -0.0001415600000000 ] - [ 0.0051364800000000, -0.0021588400000000, 0.0039887200000000 ] - [ 0.0000030600000000, 0.0000748200000000, -0.0000219700000000 ] - [ -0.0010499100000000, 0.0002714000000000, -0.0003741200000000 ] - [ -0.0002850800000000, -0.0001661000000000, -0.0002082000000000 ] - [ -0.0004893100000000, -0.0000017300000000, 0.0000504300000000 ] - [ -0.0001757200000000, -0.0002350700000000, 0.0000140000000000 ] - [ -0.0002006300000000, 0.0000811600000000, -0.0001474000000000 ] - [ -0.0001904900000000, -0.0000267000000000, -0.0000316600000000 ] - [ 0.0010929300000000, 0.0002181400000000, -0.0002189000000000 ] - [ -0.0000372400000000, -0.0001371100000000, -0.0001111500000000 ] - [ 0.0001896600000000, 0.0003909400000000, 0.0000015400000000 ] - [ -0.0007041700000000, 0.0005267700000000, -0.0004619200000000 ] - [ -0.0007384900000000, 0.0008817500000000, -0.0001543400000000 ] - [ 0.0002310300000000, 0.0002076500000000, -0.0000556200000000 ] - [ 0.0001085600000000, -0.0000718900000000, -0.0004357100000000 ] - [ 0.0109413100000000, -0.0103935300000000, 0.0128255500000000 ] - [ 0.0096704500000000, -0.0139964700000000, 0.0010122000000000 ] - [ 0.0001917100000000, -0.0000270200000000, 0.0002070600000000 ] - [ 0.0001851500000000, 0.0001646600000000, -0.0000672900000000 ] - [ 0.0017978800000000, -0.0006174600000000, 0.0001237900000000 ] - [ -0.0000572000000000, 0.0007469500000000, 0.0007070000000000 ] - [ -0.0002703000000000, -0.0001900400000000, -0.0002676600000000 ] - [ -0.0000178100000000, -0.0001380000000000, -0.0000054000000000 ] - [ -0.0003287100000000, 0.0002904100000000, -0.0000551400000000 ] - [ -0.0000008300000000, 0.0000339400000000, 0.0000548100000000 ] - [ 0.0000779100000000, 0.0001712900000000, 0.0001374800000000 ]- atom: 35 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0001121000000000, 0.0000136200000000, -0.0000386300000000 ] - [ 0.0001355200000000, -0.0000353700000000, -0.0000622000000000 ] - [ 0.0003824300000000, 0.0007280200000000, -0.0002641900000000 ] - [ -0.0001502600000000, -0.0001158900000000, 0.0000862000000000 ] - [ 0.0000335800000000, -0.0001767300000000, -0.0000170800000000 ] - [ 0.0000508700000000, 0.0001838900000000, 0.0000112400000000 ] - [ -0.0001865900000000, -0.0000235600000000, -0.0000318400000000 ] - [ -0.0001345400000000, 0.0000631400000000, -0.0000179200000000 ] - [ 0.0000341600000000, -0.0002678100000000, -0.0000758500000000 ] - [ -0.0000023800000000, 0.0003869600000000, -0.0000563600000000 ] - [ -0.0000084000000000, -0.0001456900000000, 0.0001234600000000 ] - [ -0.0001682200000000, 0.0000313500000000, 0.0002180300000000 ] - [ -0.0003186300000000, -0.0000892200000000, 0.0000753600000000 ] - [ -0.0001742100000000, 0.0000872500000000, 0.0001070200000000 ] - [ -0.0001873400000000, -0.0001911900000000, 0.0001823200000000 ] - [ -0.0000641200000000, 0.0001962800000000, 0.0001089800000000 ] - [ -0.0000104500000000, -0.0001817100000000, 0.0000442100000000 ] - [ -0.0001519900000000, 0.0003389600000000, 0.0000202400000000 ] - [ -0.0001106700000000, 0.0001414300000000, 0.0002118300000000 ] - [ 0.0000735900000000, 0.0000351300000000, 0.0002318700000000 ] - [ -0.0000274400000000, 0.0002004200000000, 0.0001373100000000 ] - [ -0.0003311100000000, 0.0003969100000000, -0.0000889500000000 ] - [ -0.0001294200000000, -0.0002768000000000, -0.0000146300000000 ] - [ -0.0043346200000000, 0.0012433400000000, -0.0013388100000000 ] - [ -0.0032829600000000, 0.0016669100000000, 0.0003660200000000 ] - [ 0.0000588200000000, 0.0000254700000000, -0.0002063700000000 ] - [ -0.0004605100000000, -0.0004764500000000, 0.0003411400000000 ] - [ -0.0012169300000000, -0.0003022800000000, -0.0038805300000000 ] - [ -0.0001555400000000, 0.0023654300000000, 0.0023732200000000 ] - [ 0.0000756000000000, 0.0000231700000000, -0.0001893300000000 ] - [ -0.0000320300000000, 0.0000212600000000, 0.0000763700000000 ] - [ 0.0001216400000000, 0.0001208700000000, -0.0000522900000000 ] - [ -0.0000072700000000, 0.0002034900000000, -0.0000901000000000 ] - [ 0.0001568300000000, -0.0000791200000000, 0.0000354900000000 ] - [ 0.0369942500000000, -0.0267292200000000, 0.0175604500000000 ] - [ 0.0000390100000000, -0.0001590700000000, 0.0000208200000000 ] - [ 0.0001390600000000, 0.0001962200000000, -0.0003363000000000 ] - [ 0.0005657600000000, -0.0016282400000000, 0.0017511600000000 ] - [ 0.0004691600000000, -0.0028642800000000, 0.0000887900000000 ] - [ -0.0000300400000000, 0.0000539000000000, -0.0000327300000000 ] - [ -0.0005576500000000, 0.0004775600000000, 0.0001965900000000 ] - [ -0.0000537700000000, 0.0000106800000000, -0.0000475900000000 ] - [ 0.0002394000000000, -0.0000688600000000, -0.0000030900000000 ] - [ 0.0003460000000000, 0.0001419100000000, 0.0001065300000000 ] - [ 0.0000058400000000, 0.0000504000000000, -0.0001012600000000 ] - [ -0.0000006400000000, 0.0000251300000000, -0.0000657600000000 ] - [ 0.0000033400000000, 0.0001602500000000, -0.0000890100000000 ] - [ -0.0022754800000000, 0.0009191300000000, 0.0007567900000000 ] - [ -0.0001354800000000, -0.0003244700000000, -0.0002603300000000 ] - [ 0.0001245100000000, 0.0001080800000000, 0.0000587200000000 ] - [ -0.0000908700000000, -0.0001526300000000, 0.0001357300000000 ] - [ 0.0001482400000000, -0.0000120600000000, 0.0000956900000000 ] - [ -0.0002506200000000, 0.0001770500000000, 0.0002190100000000 ] - [ -0.0002136100000000, 0.0001366300000000, -0.0000797500000000 ] - [ 0.0004285200000000, 0.0001017000000000, 0.0006627200000000 ] - [ 0.0003994100000000, -0.0007231700000000, -0.0014008200000000 ] - [ 0.0001983600000000, 0.0000250600000000, -0.0000540100000000 ] - [ 0.0000804900000000, 0.0000663700000000, -0.0000363300000000 ] - [ -0.0001575400000000, 0.0002363600000000, 0.0001259400000000 ] - [ -0.0000375000000000, -0.0001500700000000, 0.0001050000000000 ] - [ -0.0002377500000000, -0.0001518200000000, -0.0000581400000000 ] - [ 0.0000104000000000, 0.0000417700000000, -0.0000720800000000 ] - [ -0.0053502400000000, 0.0020576600000000, -0.0043144800000000 ] - [ -0.0000436400000000, 0.0001274300000000, -0.0001230100000000 ] - [ 0.0007174400000000, -0.0000564700000000, -0.0000009000000000 ] - [ -0.0000580600000000, -0.0000516600000000, -0.0001718600000000 ] - [ 0.0002997500000000, 0.0001597400000000, -0.0000822500000000 ] - [ -0.0000164300000000, 0.0000788600000000, -0.0000472400000000 ] - [ 0.0002716600000000, 0.0000612600000000, 0.0000258900000000 ] - [ 0.0002588300000000, -0.0001176500000000, -0.0000908700000000 ] - [ -0.0010151100000000, -0.0001891300000000, 0.0001493000000000 ] - [ 0.0000678800000000, 0.0001008300000000, 0.0000403200000000 ] - [ 0.0000088800000000, -0.0004207400000000, 0.0000283300000000 ] - [ 0.0008931400000000, -0.0005071100000000, 0.0004943400000000 ] - [ 0.0010521700000000, -0.0008334800000000, -0.0000269100000000 ] - [ 0.0000923100000000, -0.0002652500000000, -0.0001356300000000 ] - [ -0.0003008600000000, -0.0001837600000000, 0.0005406000000000 ] - [ -0.0111504200000000, 0.0105094700000000, -0.0124641100000000 ] - [ -0.0097396600000000, 0.0140519000000000, -0.0009563400000000 ] - [ -0.0001770900000000, -0.0001333000000000, -0.0001439300000000 ] - [ -0.0000292100000000, -0.0002651800000000, -0.0000320800000000 ] - [ -0.0016284500000000, 0.0007249000000000, -0.0002361700000000 ] - [ -0.0001460300000000, -0.0006917800000000, -0.0006608700000000 ] - [ 0.0000674500000000, 0.0001279600000000, 0.0003273700000000 ] - [ -0.0000494500000000, -0.0000583000000000, 0.0000832300000000 ] - [ 0.0002661600000000, -0.0000951400000000, 0.0001352900000000 ] - [ 0.0000233700000000, -0.0000706200000000, 0.0000865200000000 ] - [ -0.0000546400000000, -0.0001362100000000, 0.0000034600000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000799800000000, 0.0000121900000000, -0.0000610200000000 ] - [ 0.0001655600000000, -0.0000565900000000, -0.0000490100000000 ] - [ -0.0008529400000000, 0.0006033800000000, -0.0004673100000000 ] - [ -0.0000961200000000, -0.0001235500000000, 0.0001132200000000 ] - [ 0.0000490200000000, -0.0001811500000000, 0.0000244900000000 ] - [ 0.0000621500000000, 0.0002191800000000, 0.0000189100000000 ] - [ -0.0002050600000000, 0.0000126100000000, -0.0000706800000000 ] - [ -0.0001110700000000, 0.0000683900000000, -0.0000170100000000 ] - [ 0.0000669200000000, -0.0002227700000000, -0.0000721500000000 ] - [ -0.0000137600000000, 0.0004617400000000, -0.0000508600000000 ] - [ 0.0000243200000000, -0.0001978600000000, 0.0001180300000000 ] - [ -0.0000782300000000, 0.0000892700000000, 0.0001886000000000 ] - [ -0.0002223000000000, -0.0000573600000000, 0.0001108500000000 ] - [ -0.0001442300000000, 0.0000757600000000, 0.0001143300000000 ] - [ -0.0001160700000000, -0.0001967500000000, 0.0001554500000000 ] - [ -0.0000464800000000, 0.0002089000000000, 0.0000946200000000 ] - [ 0.0000435100000000, -0.0001628800000000, 0.0000186700000000 ] - [ -0.0001843800000000, 0.0000981600000000, 0.0000642100000000 ] - [ -0.0000859700000000, -0.0000599000000000, 0.0002682300000000 ] - [ 0.0000976600000000, 0.0000657000000000, 0.0002245600000000 ] - [ 0.0000624200000000, 0.0004542500000000, 0.0001675600000000 ] - [ -0.0003596100000000, 0.0006331300000000, -0.0001868800000000 ] - [ -0.0001073600000000, -0.0003294000000000, -0.0000299700000000 ] - [ 0.0006304700000000, -0.0008470900000000, 0.0012564200000000 ] - [ -0.0019172700000000, -0.0007455100000000, 0.0005965300000000 ] - [ 0.0000637300000000, 0.0000398400000000, -0.0001652500000000 ] - [ 0.0008507400000000, 0.0013248600000000, -0.0017427700000000 ] - [ -0.0004440200000000, -0.0009436000000000, -0.0041412200000000 ] - [ 0.0000113900000000, 0.0055338000000000, 0.0039931500000000 ] - [ 0.0000842700000000, 0.0000996100000000, -0.0001804300000000 ] - [ -0.0001032600000000, 0.0001705700000000, 0.0001695000000000 ] - [ 0.0000988700000000, 0.0002922100000000, -0.0001321400000000 ] - [ -0.0000381100000000, 0.0002980000000000, -0.0000949600000000 ] - [ 0.0000690300000000, 0.0000340700000000, -0.0001797400000000 ] - [ 0.0265447000000000, -0.0709318000000000, 0.0050796200000000 ] - [ 0.0000210000000000, -0.0003183800000000, 0.0001509500000000 ] - [ 0.0001200000000000, 0.0001523700000000, -0.0003128000000000 ] - [ 0.0006704600000000, 0.0009064900000000, -0.0008062600000000 ] - [ 0.0016294600000000, 0.0032910200000000, -0.0006521300000000 ] - [ -0.0000433200000000, 0.0001210100000000, 0.0000472800000000 ] - [ -0.0009583600000000, 0.0008119300000000, 0.0002216000000000 ] - [ 0.0000209600000000, 0.0000129300000000, -0.0000905100000000 ] - [ 0.0003448900000000, -0.0001128400000000, 0.0000994100000000 ] - [ 0.0002973500000000, 0.0002056800000000, 0.0000962100000000 ] - [ 0.0000016100000000, 0.0000876700000000, -0.0001003100000000 ] - [ 0.0000896700000000, 0.0002139600000000, -0.0001100200000000 ] - [ 0.0000035500000000, 0.0001003400000000, -0.0000620700000000 ] - [ -0.0012088600000000, 0.0004555300000000, 0.0003263700000000 ] - [ -0.0000718300000000, -0.0002849300000000, -0.0002110900000000 ] - [ 0.0000515000000000, 0.0001188800000000, 0.0000472600000000 ] - [ -0.0000702500000000, -0.0001976900000000, 0.0001209900000000 ] - [ 0.0001870800000000, -0.0000578500000000, 0.0001035300000000 ] - [ -0.0002688400000000, 0.0003034000000000, 0.0002740300000000 ] - [ -0.0001661700000000, 0.0001896500000000, -0.0001114900000000 ] - [ 0.0001621000000000, 0.0017759800000000, 0.0041459200000000 ] - [ 0.0001897700000000, -0.0005779000000000, 0.0006153700000000 ] - [ 0.0002746800000000, 0.0001237500000000, -0.0000906300000000 ] - [ 0.0000571500000000, 0.0001255400000000, -0.0000304500000000 ] - [ -0.0001649700000000, 0.0002218400000000, 0.0001113700000000 ] - [ -0.0000421200000000, -0.0001447100000000, 0.0000990300000000 ] - [ -0.0003114500000000, -0.0006460700000000, -0.0002569300000000 ] - [ 0.0000306700000000, -0.0000853400000000, -0.0000406400000000 ] - [ -0.0008055600000000, -0.0003064900000000, -0.0003264300000000 ] - [ -0.0000052200000000, 0.0004135800000000, -0.0001042900000000 ] - [ 0.0004660800000000, 0.0001020100000000, 0.0000216100000000 ] - [ -0.0000919100000000, 0.0000659100000000, -0.0001623300000000 ] - [ 0.0001301100000000, 0.0001991700000000, -0.0000909100000000 ] - [ -0.0000475700000000, 0.0000074600000000, -0.0000888600000000 ] - [ 0.0002370000000000, -0.0000620600000000, 0.0000484800000000 ] - [ 0.0002181900000000, -0.0001371000000000, -0.0000744600000000 ] - [ -0.0003317500000000, 0.0016863000000000, -0.0008756200000000 ] - [ -0.0000193500000000, 0.0001505200000000, 0.0000437800000000 ] - [ -0.0000635300000000, -0.0010121100000000, 0.0001376000000000 ] - [ 0.0008020700000000, -0.0018646700000000, 0.0012339600000000 ] - [ 0.0003630000000000, -0.0014478700000000, -0.0000645700000000 ] - [ 0.0000444300000000, -0.0004746600000000, -0.0001659300000000 ] - [ -0.0000356100000000, 0.0002331900000000, 0.0009345700000000 ] - [ -0.0098718800000000, 0.0170267400000000, -0.0129172800000000 ] - [ -0.0157280300000000, 0.0431879100000000, 0.0058198700000000 ] - [ -0.0005744900000000, -0.0003190300000000, -0.0007729100000000 ] - [ 0.0000194500000000, -0.0003928300000000, -0.0001337100000000 ] - [ 0.0000592100000000, 0.0018044900000000, -0.0010596100000000 ] - [ 0.0003680200000000, -0.0007257700000000, -0.0007077900000000 ] - [ -0.0000471200000000, 0.0001926300000000, 0.0002118800000000 ] - [ -0.0001000800000000, -0.0000629200000000, 0.0001342500000000 ] - [ 0.0004353700000000, -0.0002372100000000, 0.0001647200000000 ] - [ -0.0000457500000000, -0.0002138400000000, 0.0000323300000000 ] - [ -0.0000993500000000, -0.0003450100000000, 0.0000421200000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000584200000000, -0.0000329700000000, -0.0000745400000000 ] - [ -0.0000249000000000, 0.0000766100000000, -0.0000860800000000 ] - [ 0.0006179500000000, -0.0004411200000000, 0.0005615100000000 ] - [ -0.0001609400000000, -0.0000476100000000, -0.0000417900000000 ] - [ 0.0000730900000000, -0.0001596600000000, -0.0000488900000000 ] - [ 0.0000595000000000, 0.0001229600000000, -0.0000434900000000 ] - [ 0.0000262800000000, -0.0001785600000000, 0.0000812900000000 ] - [ -0.0000670100000000, 0.0000975300000000, 0.0000267200000000 ] - [ 0.0000699600000000, -0.0003540200000000, -0.0000483600000000 ] - [ 0.0001502900000000, 0.0001156300000000, -0.0000700200000000 ] - [ 0.0000241800000000, -0.0000715600000000, 0.0001312200000000 ] - [ 0.0001245200000000, 0.0001775100000000, 0.0000612800000000 ] - [ 0.0001142600000000, -0.0001150700000000, 0.0001901100000000 ] - [ 0.0000353700000000, 0.0000973200000000, 0.0001859300000000 ] - [ 0.0001885800000000, -0.0001623700000000, 0.0000183600000000 ] - [ 0.0001189600000000, 0.0001510900000000, 0.0000790200000000 ] - [ -0.0000633900000000, -0.0002438500000000, 0.0001212200000000 ] - [ 0.0001617300000000, 0.0003097400000000, 0.0000751200000000 ] - [ 0.0002179100000000, 0.0000566100000000, 0.0002149000000000 ] - [ 0.0000367400000000, -0.0000583300000000, 0.0002578800000000 ] - [ -0.0002290800000000, -0.0004253500000000, -0.0000218000000000 ] - [ 0.0001915400000000, -0.0006615700000000, 0.0003336900000000 ] - [ -0.0002861100000000, -0.0000783900000000, 0.0000667300000000 ] - [ -0.0010493600000000, 0.0012535900000000, -0.0012346700000000 ] - [ 0.0018908100000000, 0.0006087800000000, -0.0008768800000000 ] - [ -0.0000923600000000, 0.0001180700000000, -0.0001052800000000 ] - [ -0.0009958900000000, -0.0015370900000000, 0.0017783500000000 ] - [ 0.0002679500000000, 0.0011957200000000, 0.0042200000000000 ] - [ 0.0001159600000000, -0.0055294400000000, -0.0043437800000000 ] - [ 0.0000428500000000, -0.0001845700000000, -0.0001328300000000 ] - [ 0.0000388900000000, -0.0003374000000000, -0.0001332400000000 ] - [ -0.0001643300000000, -0.0001240900000000, 0.0001658400000000 ] - [ 0.0000249500000000, -0.0000791800000000, -0.0000318600000000 ] - [ -0.0000824500000000, -0.0002430000000000, 0.0000564100000000 ] - [ -0.0273891000000000, 0.0732899100000000, -0.0045088400000000 ] - [ 0.0000709300000000, 0.0000483600000000, -0.0000238800000000 ] - [ -0.0001890600000000, -0.0001618600000000, 0.0000899300000000 ] - [ -0.0007352600000000, -0.0008936200000000, 0.0005684000000000 ] - [ -0.0018073900000000, -0.0034255800000000, 0.0005774400000000 ] - [ -0.0000942200000000, -0.0000559700000000, -0.0001195400000000 ] - [ 0.0008637500000000, -0.0008715500000000, -0.0002568400000000 ] - [ -0.0000969500000000, 0.0000658100000000, 0.0000532500000000 ] - [ 0.0001594100000000, 0.0000427300000000, -0.0000931600000000 ] - [ 0.0002070100000000, -0.0001324300000000, -0.0000891000000000 ] - [ 0.0000079200000000, 0.0000108800000000, -0.0000579800000000 ] - [ -0.0000806600000000, -0.0003099500000000, -0.0000476500000000 ] - [ 0.0000906300000000, 0.0003168500000000, -0.0000688300000000 ] - [ 0.0013024700000000, -0.0008794500000000, -0.0004577800000000 ] - [ 0.0003614300000000, 0.0000845500000000, 0.0001367100000000 ] - [ 0.0002357100000000, 0.0000814400000000, -0.0001212300000000 ] - [ 0.0003826900000000, 0.0001744300000000, 0.0000392500000000 ] - [ 0.0001281800000000, 0.0000785300000000, 0.0000564100000000 ] - [ -0.0000041700000000, -0.0003689500000000, -0.0000502500000000 ] - [ -0.0001078300000000, -0.0001197500000000, 0.0003318400000000 ] - [ -0.0002768300000000, -0.0018683600000000, -0.0040879000000000 ] - [ -0.0003055800000000, 0.0006909500000000, -0.0005898300000000 ] - [ -0.0001317600000000, -0.0001896600000000, 0.0000742000000000 ] - [ 0.0000822300000000, -0.0000570400000000, 0.0000146300000000 ] - [ 0.0000617800000000, 0.0000819300000000, 0.0001240100000000 ] - [ -0.0000595900000000, -0.0001588000000000, 0.0001355500000000 ] - [ 0.0004811200000000, 0.0003323600000000, 0.0000414400000000 ] - [ 0.0001374700000000, 0.0003951300000000, -0.0001729200000000 ] - [ 0.0007640400000000, 0.0001032100000000, 0.0001768100000000 ] - [ -0.0000313300000000, -0.0002048800000000, -0.0000387300000000 ] - [ -0.0008175400000000, 0.0001199300000000, -0.0004020200000000 ] - [ -0.0002594200000000, -0.0002811900000000, -0.0002169700000000 ] - [ -0.0003282200000000, -0.0000424700000000, 0.0000580500000000 ] - [ -0.0001483600000000, -0.0001626900000000, 0.0000574600000000 ] - [ -0.0001718600000000, 0.0002032200000000, -0.0001696600000000 ] - [ -0.0001533000000000, -0.0000072300000000, -0.0000469900000000 ] - [ 0.0003782200000000, -0.0016615000000000, 0.0008183300000000 ] - [ 0.0000504300000000, -0.0001864300000000, -0.0001143700000000 ] - [ 0.0002608500000000, 0.0009764500000000, -0.0001038600000000 ] - [ -0.0006016100000000, 0.0019067500000000, -0.0012189900000000 ] - [ -0.0000229900000000, 0.0014923900000000, -0.0001233200000000 ] - [ 0.0002816800000000, 0.0004170700000000, -0.0000223600000000 ] - [ -0.0001473000000000, -0.0004810300000000, -0.0008227700000000 ] - [ 0.0098317500000000, -0.0168373600000000, 0.0131891600000000 ] - [ 0.0165645800000000, -0.0449427600000000, -0.0063745300000000 ] - [ 0.0005824300000000, 0.0001530000000000, 0.0008256400000000 ] - [ 0.0001392100000000, 0.0002944700000000, 0.0000374200000000 ] - [ 0.0000881500000000, -0.0017589600000000, 0.0009916500000000 ] - [ -0.0005560000000000, 0.0007888500000000, 0.0007589400000000 ] - [ -0.0001537500000000, -0.0002561400000000, -0.0001542300000000 ] - [ 0.0000302300000000, -0.0001371500000000, -0.0000569600000000 ] - [ -0.0004961300000000, 0.0004343300000000, -0.0000862900000000 ] - [ 0.0000663600000000, 0.0001733900000000, 0.0001094500000000 ] - [ 0.0001207100000000, 0.0003799200000000, 0.0000997400000000 ]- atom: 35 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000550100000000, -0.0000405100000000, -0.0001375200000000 ] - [ 0.0000266000000000, 0.0000303200000000, -0.0000564100000000 ] - [ 0.0001656400000000, -0.0002237500000000, -0.0003560600000000 ] - [ -0.0000855900000000, -0.0000503900000000, 0.0000277800000000 ] - [ 0.0000757800000000, -0.0001445300000000, -0.0000261600000000 ] - [ 0.0000601700000000, 0.0001659700000000, -0.0000072800000000 ] - [ -0.0000423900000000, -0.0001080300000000, -0.0000081300000000 ] - [ -0.0000581600000000, 0.0001168000000000, 0.0000804800000000 ] - [ 0.0000969900000000, -0.0002756500000000, -0.0000409900000000 ] - [ 0.0000958100000000, 0.0002484300000000, -0.0000696900000000 ] - [ 0.0000360900000000, -0.0001305400000000, 0.0001493400000000 ] - [ 0.0001142700000000, 0.0002096000000000, 0.0000703500000000 ] - [ 0.0000374000000000, -0.0000779900000000, 0.0001555600000000 ] - [ 0.0000581200000000, 0.0000607700000000, 0.0002271800000000 ] - [ 0.0000758100000000, -0.0001517000000000, 0.0001191300000000 ] - [ 0.0000852300000000, 0.0001733100000000, 0.0000686100000000 ] - [ -0.0000333100000000, -0.0002204300000000, 0.0001226200000000 ] - [ 0.0000314200000000, 0.0001864400000000, -0.0000401000000000 ] - [ 0.0002057400000000, -0.0000348800000000, 0.0000885000000000 ] - [ 0.0000452600000000, -0.0000254800000000, 0.0002771300000000 ] - [ -0.0001423400000000, -0.0001165100000000, 0.0001097300000000 ] - [ 0.0000436200000000, -0.0003027100000000, 0.0002161700000000 ] - [ -0.0002674500000000, -0.0002413200000000, 0.0000906100000000 ] - [ 0.0028106100000000, 0.0003424000000000, 0.0003900200000000 ] - [ -0.0024835500000000, 0.0016052500000000, 0.0004454400000000 ] - [ -0.0000390700000000, 0.0001434600000000, 0.0000084700000000 ] - [ -0.0009137400000000, -0.0013375500000000, 0.0011875600000000 ] - [ 0.0013985700000000, -0.0007260800000000, 0.0056366700000000 ] - [ -0.0007518900000000, 0.0010331900000000, -0.0011571000000000 ] - [ 0.0000935800000000, -0.0000656700000000, -0.0000340100000000 ] - [ -0.0000217400000000, -0.0001251000000000, 0.0000124000000000 ] - [ -0.0000901300000000, -0.0000587600000000, 0.0000207100000000 ] - [ -0.0000020100000000, 0.0000479900000000, -0.0000140300000000 ] - [ -0.0000591200000000, -0.0002694600000000, -0.0001381000000000 ] - [ -0.0178487200000000, 0.0053422100000000, -0.0653935500000000 ] - [ 0.0000911600000000, -0.0002197700000000, 0.0003374300000000 ] - [ -0.0002221400000000, -0.0002964800000000, 0.0001425400000000 ] - [ -0.0020217200000000, -0.0028310700000000, 0.0032716500000000 ] - [ 0.0004494700000000, 0.0014896300000000, 0.0000812100000000 ] - [ -0.0000728200000000, 0.0000533300000000, 0.0000955000000000 ] - [ 0.0002224000000000, -0.0002847900000000, -0.0002532200000000 ] - [ -0.0000315100000000, 0.0000658300000000, 0.0002365800000000 ] - [ 0.0003455000000000, 0.0000350700000000, 0.0000307200000000 ] - [ 0.0001666900000000, 0.0000063400000000, -0.0000808300000000 ] - [ -0.0000154700000000, 0.0000620400000000, -0.0000264700000000 ] - [ 0.0000107000000000, -0.0000807600000000, -0.0001175200000000 ] - [ 0.0001024200000000, 0.0002213000000000, 0.0000106400000000 ] - [ 0.0000643000000000, -0.0004366800000000, -0.0002919000000000 ] - [ 0.0004338000000000, 0.0000740500000000, 0.0001213900000000 ] - [ 0.0000663100000000, 0.0001282600000000, -0.0001074600000000 ] - [ 0.0002944800000000, 0.0000488100000000, -0.0000046100000000 ] - [ 0.0001531800000000, 0.0000040800000000, 0.0001030300000000 ] - [ -0.0001031900000000, -0.0001745700000000, 0.0000085300000000 ] - [ -0.0000678500000000, -0.0000581800000000, 0.0002857000000000 ] - [ -0.0003043400000000, 0.0027585400000000, 0.0042327800000000 ] - [ 0.0004127000000000, 0.0022439700000000, 0.0061002000000000 ] - [ -0.0000330800000000, -0.0000772600000000, 0.0000583400000000 ] - [ 0.0000713200000000, 0.0000360300000000, -0.0000185400000000 ] - [ 0.0000357000000000, 0.0000860500000000, 0.0000327000000000 ] - [ -0.0000805000000000, -0.0001936600000000, 0.0002274700000000 ] - [ 0.0002067200000000, -0.0001960300000000, -0.0000526200000000 ] - [ 0.0001391000000000, 0.0002193900000000, -0.0001930200000000 ] - [ 0.0039655600000000, -0.0013884800000000, 0.0025107800000000 ] - [ 0.0001552900000000, -0.0000235900000000, -0.0003962800000000 ] - [ -0.0004664600000000, 0.0001093300000000, -0.0001130100000000 ] - [ -0.0002576400000000, -0.0001033500000000, -0.0003454800000000 ] - [ -0.0002369400000000, 0.0000602200000000, 0.0001055700000000 ] - [ -0.0001182500000000, -0.0001776100000000, -0.0000557500000000 ] - [ -0.0000757900000000, 0.0000814500000000, -0.0000681300000000 ] - [ -0.0000947500000000, -0.0000611400000000, -0.0001842100000000 ] - [ -0.0000127900000000, -0.0007675800000000, 0.0005431800000000 ] - [ -0.0000120400000000, -0.0000725800000000, -0.0001302200000000 ] - [ 0.0002058400000000, 0.0004386700000000, 0.0000159200000000 ] - [ 0.0003988500000000, -0.0002885500000000, -0.0003106700000000 ] - [ -0.0005608000000000, 0.0015830000000000, -0.0007044300000000 ] - [ 0.0002077500000000, 0.0000623300000000, -0.0001393200000000 ] - [ 0.0002258700000000, 0.0005044100000000, -0.0007315300000000 ] - [ 0.0157302300000000, -0.0150305000000000, 0.0321523300000000 ] - [ -0.0011059700000000, 0.0083609700000000, 0.0117848800000000 ] - [ -0.0002805300000000, -0.0002902900000000, -0.0006634000000000 ] - [ 0.0001608900000000, 0.0001417400000000, -0.0001266800000000 ] - [ -0.0000196500000000, -0.0008613200000000, 0.0002929400000000 ] - [ 0.0001594000000000, 0.0001324900000000, 0.0005178700000000 ] - [ -0.0009712100000000, -0.0003134800000000, -0.0003458000000000 ] - [ 0.0000548900000000, -0.0000687900000000, -0.0001195900000000 ] - [ -0.0002205400000000, 0.0002507400000000, 0.0000751900000000 ] - [ -0.0000159800000000, -0.0000529400000000, 0.0000595300000000 ] - [ 0.0000989400000000, 0.0001122400000000, 0.0001207700000000 ]- atom: 35 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000854500000000, 0.0000210100000000, 0.0000013800000000 ] - [ 0.0001132000000000, -0.0000100800000000, -0.0000797800000000 ] - [ -0.0004224700000000, 0.0003978500000000, 0.0004089400000000 ] - [ -0.0001722600000000, -0.0001215300000000, 0.0000414900000000 ] - [ 0.0000461000000000, -0.0001933600000000, 0.0000010000000000 ] - [ 0.0000615900000000, 0.0001715100000000, -0.0000199100000000 ] - [ -0.0001347100000000, -0.0000603000000000, 0.0000210200000000 ] - [ -0.0001201900000000, 0.0000499100000000, -0.0000695600000000 ] - [ 0.0000415000000000, -0.0003017900000000, -0.0000795700000000 ] - [ 0.0000434800000000, 0.0003264700000000, -0.0000514600000000 ] - [ 0.0000137100000000, -0.0001394600000000, 0.0000995000000000 ] - [ -0.0000634300000000, 0.0000614600000000, 0.0001774300000000 ] - [ -0.0001442400000000, -0.0000938500000000, 0.0001472700000000 ] - [ -0.0001669500000000, 0.0001115300000000, 0.0000750200000000 ] - [ -0.0000033800000000, -0.0002070500000000, 0.0000526800000000 ] - [ -0.0000114500000000, 0.0001858000000000, 0.0001026800000000 ] - [ 0.0000087700000000, -0.0001857300000000, 0.0000150400000000 ] - [ -0.0000562100000000, 0.0002195700000000, 0.0001767700000000 ] - [ -0.0000718000000000, 0.0000285800000000, 0.0003961700000000 ] - [ 0.0000871700000000, 0.0000306400000000, 0.0002083100000000 ] - [ -0.0000277400000000, 0.0001419200000000, 0.0000363200000000 ] - [ -0.0002143300000000, 0.0002788300000000, -0.0000705600000000 ] - [ -0.0001292400000000, -0.0001628800000000, -0.0000538200000000 ] - [ -0.0031784800000000, 0.0000775800000000, -0.0003526400000000 ] - [ 0.0024687600000000, -0.0017699600000000, -0.0007168500000000 ] - [ 0.0000090200000000, 0.0000158400000000, -0.0002785400000000 ] - [ 0.0007627100000000, 0.0011243500000000, -0.0011301100000000 ] - [ -0.0015499200000000, 0.0009304400000000, -0.0055281700000000 ] - [ 0.0008741800000000, -0.0009062800000000, 0.0008593300000000 ] - [ 0.0000358300000000, -0.0000242200000000, -0.0002784800000000 ] - [ -0.0000402700000000, -0.0000444000000000, 0.0000255900000000 ] - [ 0.0000274700000000, 0.0002278300000000, 0.0000153000000000 ] - [ -0.0000067500000000, 0.0001677900000000, -0.0001091900000000 ] - [ 0.0000493800000000, 0.0000509200000000, 0.0000144400000000 ] - [ 0.0171936000000000, -0.0042557800000000, 0.0640647300000000 ] - [ 0.0000048200000000, -0.0000444000000000, -0.0002096000000000 ] - [ 0.0001528900000000, 0.0002879300000000, -0.0003657000000000 ] - [ 0.0019036900000000, 0.0027893400000000, -0.0034152500000000 ] - [ -0.0005802100000000, -0.0015270100000000, -0.0001432500000000 ] - [ -0.0000644800000000, 0.0000087900000000, -0.0001625300000000 ] - [ -0.0002928000000000, 0.0002036700000000, 0.0002188700000000 ] - [ -0.0000488400000000, 0.0000092600000000, -0.0002697600000000 ] - [ 0.0001598400000000, -0.0001070800000000, -0.0000244500000000 ] - [ 0.0003384200000000, 0.0000633400000000, 0.0000846500000000 ] - [ 0.0000219000000000, 0.0000346300000000, -0.0001296800000000 ] - [ -0.0000042300000000, -0.0000169100000000, -0.0000387600000000 ] - [ -0.0000138000000000, 0.0001949800000000, -0.0001394500000000 ] - [ 0.0000360900000000, 0.0000115400000000, 0.0001581700000000 ] - [ -0.0001483300000000, -0.0002776000000000, -0.0001951900000000 ] - [ 0.0002193900000000, 0.0000762900000000, 0.0000302200000000 ] - [ 0.0000228200000000, -0.0000707400000000, 0.0001658900000000 ] - [ 0.0001630400000000, 0.0000197400000000, 0.0000572500000000 ] - [ -0.0001717200000000, 0.0001048800000000, 0.0002146500000000 ] - [ -0.0002069900000000, 0.0001264500000000, -0.0000613100000000 ] - [ 0.0001867800000000, -0.0027951600000000, -0.0041371200000000 ] - [ -0.0005402300000000, -0.0021939900000000, -0.0062372300000000 ] - [ 0.0001713100000000, 0.0000104900000000, -0.0000769000000000 ] - [ 0.0000669000000000, 0.0000291400000000, 0.0000020800000000 ] - [ -0.0001394100000000, 0.0002190200000000, 0.0002021200000000 ] - [ -0.0000236200000000, -0.0001119200000000, 0.0000062400000000 ] - [ -0.0000378000000000, -0.0001166900000000, -0.0001620200000000 ] - [ 0.0000306000000000, 0.0000927000000000, -0.0000198800000000 ] - [ -0.0041445800000000, 0.0012415400000000, -0.0027214300000000 ] - [ -0.0001937900000000, 0.0002221100000000, 0.0002516900000000 ] - [ 0.0001153700000000, 0.0001104400000000, -0.0002698000000000 ] - [ -0.0000863400000000, -0.0001160400000000, -0.0000346300000000 ] - [ 0.0000428700000000, 0.0000962200000000, -0.0001388500000000 ] - [ -0.0000747200000000, 0.0000188900000000, 0.0000263200000000 ] - [ 0.0001418300000000, 0.0000607100000000, -0.0000548700000000 ] - [ 0.0001594800000000, -0.0000828600000000, 0.0000612000000000 ] - [ 0.0000320700000000, 0.0008022800000000, -0.0006178800000000 ] - [ 0.0000421700000000, 0.0000353700000000, 0.0000598700000000 ] - [ -0.0000048800000000, -0.0004661800000000, 0.0000151300000000 ] - [ -0.0001852100000000, 0.0002948200000000, 0.0003582000000000 ] - [ 0.0008885400000000, -0.0015319700000000, 0.0005195100000000 ] - [ 0.0001167100000000, -0.0001169400000000, -0.0000525600000000 ] - [ -0.0004184900000000, -0.0007693800000000, 0.0008306700000000 ] - [ -0.0150887400000000, 0.0146133200000000, -0.0305966100000000 ] - [ 0.0011523800000000, -0.0083787900000000, -0.0117103600000000 ] - [ 0.0002918300000000, 0.0001286100000000, 0.0007267200000000 ] - [ -0.0000033000000000, -0.0002394600000000, 0.0000250100000000 ] - [ 0.0001799000000000, 0.0009584700000000, -0.0003968900000000 ] - [ -0.0003610500000000, -0.0000626700000000, -0.0004561000000000 ] - [ 0.0007856400000000, 0.0002525800000000, 0.0003997200000000 ] - [ -0.0001196000000000, -0.0001267900000000, 0.0001979400000000 ] - [ 0.0001525100000000, -0.0000522700000000, -0.0000006700000000 ] - [ 0.0000386900000000, 0.0000174000000000, 0.0000817200000000 ] - [ -0.0000734300000000, -0.0000732800000000, 0.0000230800000000 ]- atom: 37 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000410700000000, -0.0000802600000000, -0.0000510200000000 ] - [ 0.0000191900000000, 0.0000248900000000, 0.0000148700000000 ] - [ -0.0001130200000000, 0.0000748100000000, 0.0000430000000000 ] - [ 0.0005374300000000, 0.0004629800000000, -0.0006221400000000 ] - [ 0.0001174800000000, -0.0002573400000000, 0.0000332900000000 ] - [ 0.0000840300000000, 0.0001524100000000, -0.0001022500000000 ] - [ 0.0000619500000000, -0.0002030900000000, 0.0000254800000000 ] - [ -0.0000273400000000, 0.0000966100000000, 0.0000159100000000 ] - [ 0.0001823000000000, -0.0002741800000000, -0.0000189200000000 ] - [ 0.0001279100000000, 0.0002428800000000, -0.0000599400000000 ] - [ 0.0001879500000000, -0.0002383600000000, 0.0000995400000000 ] - [ 0.0001574800000000, 0.0002529300000000, -0.0000316500000000 ] - [ 0.0002943200000000, -0.0001674900000000, 0.0000643800000000 ] - [ 0.0003436600000000, 0.0000028900000000, 0.0002983400000000 ] - [ 0.0002037800000000, -0.0001533500000000, 0.0000629400000000 ] - [ 0.0002157500000000, 0.0001557800000000, 0.0000045900000000 ] - [ 0.0001556900000000, -0.0000998100000000, 0.0001281900000000 ] - [ 0.0000504500000000, 0.0002166900000000, 0.0000666200000000 ] - [ 0.0001089300000000, 0.0000158700000000, 0.0002372700000000 ] - [ 0.0007119300000000, 0.0002347200000000, -0.0000797600000000 ] - [ 0.0000535600000000, 0.0001506300000000, 0.0001594600000000 ] - [ -0.0000947400000000, 0.0000168600000000, 0.0000597500000000 ] - [ 0.0056096900000000, -0.0050053600000000, -0.0010590600000000 ] - [ -0.0002015600000000, 0.0001786900000000, 0.0000055100000000 ] - [ -0.0000670700000000, -0.0001205200000000, -0.0000820900000000 ] - [ -0.0000685500000000, 0.0000610100000000, -0.0002632000000000 ] - [ 0.0034476000000000, 0.0010365400000000, 0.0020700700000000 ] - [ -0.0000901500000000, 0.0000615500000000, -0.0001018900000000 ] - [ 0.0000475600000000, 0.0001166500000000, -0.0001037000000000 ] - [ -0.0000486100000000, -0.0000363100000000, -0.0002812500000000 ] - [ 0.0007045300000000, 0.0004427100000000, 0.0008238300000000 ] - [ -0.0000354200000000, 0.0001407800000000, -0.0000776400000000 ] - [ -0.0013138400000000, 0.0042055500000000, -0.0008999700000000 ] - [ -0.0000394200000000, -0.0001093500000000, -0.0000613000000000 ] - [ -0.0001238000000000, 0.0002879900000000, -0.0001230900000000 ] - [ -0.0005600500000000, -0.0008399700000000, -0.0018980900000000 ] - [ -0.0753950300000000, -0.0064299000000000, 0.0259419000000000 ] - [ -0.0000839900000000, 0.0000034800000000, -0.0001140600000000 ] - [ -0.0001593200000000, -0.0000366400000000, -0.0000663300000000 ] - [ -0.0009338700000000, -0.0013325500000000, 0.0007871500000000 ] - [ 0.0006346000000000, -0.0003696000000000, -0.0011162700000000 ] - [ -0.0001423000000000, 0.0000751000000000, 0.0000532200000000 ] - [ 0.0000825200000000, -0.0000970100000000, -0.0000109700000000 ] - [ 0.0001783600000000, -0.0000521500000000, -0.0001252500000000 ] - [ -0.0000870500000000, 0.0001022300000000, -0.0000091000000000 ] - [ -0.0000161700000000, -0.0001670100000000, -0.0001425800000000 ] - [ 0.0011200900000000, 0.0015725000000000, 0.0006332900000000 ] - [ 0.0000753600000000, -0.0001892300000000, -0.0002142700000000 ] - [ 0.0002163500000000, 0.0000057200000000, 0.0001036600000000 ] - [ 0.0001234900000000, 0.0001630200000000, -0.0001934500000000 ] - [ 0.0002503500000000, 0.0000660600000000, 0.0000745800000000 ] - [ 0.0004831700000000, -0.0001216800000000, -0.0000644700000000 ] - [ 0.0000217000000000, 0.0000368600000000, 0.0003315700000000 ] - [ -0.0000377400000000, 0.0002248000000000, 0.0000743600000000 ] - [ -0.0002201800000000, -0.0000735900000000, -0.0001990800000000 ] - [ -0.0006323900000000, -0.0004890500000000, 0.0001945000000000 ] - [ 0.0000038700000000, -0.0000667500000000, -0.0000072200000000 ] - [ 0.0014208100000000, -0.0032784400000000, 0.0001570000000000 ] - [ 0.0021782900000000, -0.0000589700000000, -0.0016986600000000 ] - [ -0.0000219600000000, -0.0001188600000000, 0.0001535000000000 ] - [ 0.0003653200000000, -0.0001404300000000, -0.0001233000000000 ] - [ 0.0004022000000000, 0.0002444100000000, 0.0001586200000000 ] - [ -0.0003643300000000, -0.0003656300000000, -0.0000810400000000 ] - [ 0.0002574000000000, 0.0001081300000000, -0.0001425300000000 ] - [ -0.0004679000000000, -0.0000660000000000, 0.0005706300000000 ] - [ -0.0010237000000000, -0.0002263400000000, -0.0003129200000000 ] - [ -0.0003782500000000, 0.0001504100000000, -0.0001125600000000 ] - [ -0.0002575300000000, -0.0002117800000000, 0.0001974200000000 ] - [ -0.0003419800000000, 0.0001552700000000, -0.0001725300000000 ] - [ -0.0003685300000000, 0.0000014500000000, -0.0001486000000000 ] - [ -0.0002031000000000, 0.0000424800000000, -0.0000819900000000 ] - [ -0.0014363900000000, -0.0002254900000000, 0.0003758300000000 ] - [ 0.0014256800000000, 0.0004483200000000, 0.0000151000000000 ] - [ 0.0000454500000000, 0.0000143500000000, 0.0001902500000000 ] - [ 0.0001900900000000, -0.0000681800000000, -0.0001532000000000 ] - [ -0.0017237000000000, -0.0010616300000000, 0.0007093300000000 ] - [ 0.0445007500000000, -0.0048939600000000, -0.0141018100000000 ] - [ -0.0000059100000000, 0.0001776100000000, 0.0002414000000000 ] - [ 0.0002043300000000, -0.0000716700000000, 0.0000889500000000 ] - [ 0.0015857300000000, 0.0007610300000000, -0.0007718000000000 ] - [ 0.0179758200000000, 0.0142824500000000, -0.0100739400000000 ] - [ 0.0002359900000000, 0.0000402800000000, 0.0000188700000000 ] - [ -0.0000839200000000, -0.0002035400000000, 0.0006160500000000 ] - [ 0.0002087000000000, -0.0007392800000000, 0.0000916900000000 ] - [ 0.0000950600000000, -0.0001583800000000, 0.0000569400000000 ] - [ -0.0004689500000000, 0.0008088500000000, 0.0004096000000000 ] - [ -0.0002029800000000, 0.0006457200000000, -0.0004089700000000 ] - [ 0.0000949900000000, 0.0001361800000000, 0.0001053800000000 ]- atom: 37 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0001013300000000, 0.0000618500000000, -0.0000862100000000 ] - [ 0.0001226500000000, -0.0000061400000000, -0.0001533200000000 ] - [ -0.0001455200000000, 0.0000977100000000, 0.0000258000000000 ] - [ -0.0007865700000000, -0.0006126700000000, 0.0006663600000000 ] - [ 0.0000039800000000, -0.0000761300000000, -0.0000612200000000 ] - [ 0.0000378900000000, 0.0001817800000000, 0.0000744700000000 ] - [ -0.0002409100000000, 0.0000352400000000, -0.0000115500000000 ] - [ -0.0001512100000000, 0.0000713900000000, -0.0000030500000000 ] - [ -0.0000424500000000, -0.0003015500000000, -0.0001024400000000 ] - [ 0.0000124100000000, 0.0003323400000000, -0.0000613100000000 ] - [ -0.0001352200000000, -0.0000355200000000, 0.0001479700000000 ] - [ -0.0001070300000000, 0.0000182800000000, 0.0002815800000000 ] - [ -0.0004067400000000, -0.0000022300000000, 0.0002415800000000 ] - [ -0.0004542100000000, 0.0001675900000000, 0.0000046300000000 ] - [ -0.0001308200000000, -0.0002053700000000, 0.0001059100000000 ] - [ -0.0001430100000000, 0.0002029000000000, 0.0001647700000000 ] - [ -0.0001915600000000, -0.0003037700000000, 0.0000063500000000 ] - [ -0.0000801300000000, 0.0001884500000000, 0.0000671500000000 ] - [ 0.0000215000000000, -0.0000195200000000, 0.0002509200000000 ] - [ -0.0005784900000000, -0.0002307100000000, 0.0005672600000000 ] - [ -0.0002273100000000, -0.0001305600000000, -0.0000141900000000 ] - [ -0.0000771200000000, -0.0000408500000000, 0.0000847400000000 ] - [ -0.0059160000000000, 0.0045507400000000, 0.0010807700000000 ] - [ -0.0001979100000000, 0.0002251500000000, 0.0000310000000000 ] - [ 0.0000355800000000, -0.0000399500000000, -0.0001871100000000 ] - [ 0.0000346000000000, 0.0001000600000000, -0.0000027300000000 ] - [ -0.0035450900000000, -0.0012583200000000, -0.0019622300000000 ] - [ -0.0000752500000000, 0.0001644200000000, 0.0001633300000000 ] - [ 0.0000834600000000, -0.0000241500000000, -0.0002092500000000 ] - [ 0.0001807500000000, -0.0000588000000000, -0.0000283300000000 ] - [ -0.0007655600000000, -0.0006334300000000, -0.0007911700000000 ] - [ -0.0000241400000000, 0.0000319900000000, 0.0001144200000000 ] - [ 0.0012902100000000, -0.0039718900000000, 0.0007860300000000 ] - [ 0.0000349500000000, -0.0001058200000000, -0.0000597400000000 ] - [ 0.0002210800000000, -0.0000206800000000, 0.0002518600000000 ] - [ 0.0006407400000000, 0.0005653700000000, 0.0020247000000000 ] - [ 0.0732116500000000, 0.0068220900000000, -0.0253367500000000 ] - [ 0.0000158200000000, 0.0000037000000000, -0.0001128800000000 ] - [ 0.0000244700000000, -0.0000222600000000, 0.0000044600000000 ] - [ 0.0008004900000000, 0.0013735300000000, -0.0008272000000000 ] - [ -0.0007047000000000, 0.0002939900000000, 0.0010821800000000 ] - [ 0.0000681500000000, -0.0000003200000000, -0.0000843700000000 ] - [ 0.0004270600000000, 0.0000273200000000, 0.0000155400000000 ] - [ 0.0003303200000000, 0.0001230100000000, 0.0001309100000000 ] - [ 0.0000910300000000, -0.0000054500000000, -0.0001455700000000 ] - [ 0.0000205400000000, 0.0000712200000000, -0.0000107900000000 ] - [ -0.0010513800000000, -0.0011829300000000, -0.0007745200000000 ] - [ 0.0000100800000000, -0.0002240400000000, 0.0000895400000000 ] - [ 0.0000679400000000, -0.0002131700000000, -0.0001799600000000 ] - [ 0.0001603900000000, 0.0000438100000000, 0.0001174000000000 ] - [ 0.0000658800000000, -0.0000911700000000, 0.0000879400000000 ] - [ -0.0001670700000000, 0.0001476400000000, 0.0002267300000000 ] - [ -0.0002996900000000, -0.0001085900000000, -0.0001087000000000 ] - [ -0.0002415000000000, -0.0001553800000000, 0.0001515800000000 ] - [ 0.0001118000000000, -0.0000290400000000, 0.0002101300000000 ] - [ 0.0005146800000000, 0.0006060800000000, -0.0001850200000000 ] - [ 0.0001345600000000, 0.0000028000000000, -0.0000124300000000 ] - [ -0.0012939000000000, 0.0033769900000000, -0.0001733200000000 ] - [ -0.0023434100000000, 0.0003645300000000, 0.0019732900000000 ] - [ -0.0000831500000000, -0.0001882000000000, 0.0000778800000000 ] - [ -0.0001995400000000, -0.0001684200000000, -0.0000894000000000 ] - [ -0.0002325500000000, 0.0000679000000000, -0.0003717100000000 ] - [ 0.0003226000000000, 0.0001670800000000, -0.0000691500000000 ] - [ -0.0003009200000000, 0.0000922900000000, -0.0000022800000000 ] - [ 0.0001320900000000, 0.0002877300000000, -0.0009613700000000 ] - [ 0.0006904300000000, 0.0000092700000000, -0.0000637300000000 ] - [ 0.0001898000000000, 0.0000070200000000, 0.0000788500000000 ] - [ 0.0000697200000000, 0.0000567100000000, -0.0002299500000000 ] - [ 0.0004146900000000, -0.0000152300000000, 0.0000506200000000 ] - [ 0.0004393700000000, -0.0001433000000000, 0.0000266600000000 ] - [ 0.0002352200000000, -0.0000070700000000, 0.0000131600000000 ] - [ 0.0014718100000000, 0.0001858300000000, -0.0004566600000000 ] - [ -0.0011822600000000, -0.0004546300000000, 0.0000319700000000 ] - [ 0.0001519500000000, 0.0000181000000000, -0.0001617100000000 ] - [ 0.0001314500000000, 0.0001268700000000, -0.0000356100000000 ] - [ 0.0020288700000000, 0.0009908500000000, -0.0008971400000000 ] - [ -0.0427312200000000, 0.0040738500000000, 0.0134737600000000 ] - [ -0.0001842100000000, 0.0000756300000000, -0.0001378300000000 ] - [ -0.0001909500000000, 0.0002299300000000, -0.0000172500000000 ] - [ -0.0015631200000000, -0.0009078500000000, 0.0008240200000000 ] - [ -0.0177388400000000, -0.0142063600000000, 0.0098198000000000 ] - [ -0.0000789700000000, 0.0000588300000000, -0.0001227800000000 ] - [ -0.0001213200000000, 0.0002643800000000, -0.0005618600000000 ] - [ -0.0004197600000000, 0.0006804500000000, -0.0000420000000000 ] - [ -0.0001617600000000, -0.0000358000000000, 0.0000224800000000 ] - [ 0.0003993500000000, -0.0006191300000000, -0.0003366100000000 ] - [ 0.0002300600000000, -0.0006871500000000, 0.0005554200000000 ] - [ -0.0000709300000000, -0.0001010900000000, 0.0000364400000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000186700000000, -0.0000206800000000, -0.0001091000000000 ] - [ 0.0000517100000000, 0.0000255500000000, -0.0000338700000000 ] - [ -0.0001019400000000, 0.0000167600000000, 0.0000525200000000 ] - [ 0.0001157100000000, -0.0003658000000000, -0.0002275000000000 ] - [ 0.0000323800000000, -0.0000483300000000, -0.0000001500000000 ] - [ 0.0000645000000000, 0.0001458000000000, -0.0000809600000000 ] - [ -0.0000409000000000, -0.0002132700000000, 0.0000597800000000 ] - [ -0.0000530400000000, 0.0001210700000000, 0.0000232900000000 ] - [ 0.0000904200000000, -0.0001515200000000, -0.0000808500000000 ] - [ 0.0000771000000000, 0.0002889500000000, -0.0000619300000000 ] - [ 0.0000500300000000, -0.0001211300000000, 0.0001315800000000 ] - [ 0.0000585100000000, 0.0001421900000000, 0.0000632700000000 ] - [ 0.0000287800000000, -0.0001496400000000, 0.0001061300000000 ] - [ 0.0000662000000000, 0.0001269800000000, 0.0002118700000000 ] - [ 0.0001012100000000, -0.0001428500000000, 0.0000941400000000 ] - [ 0.0000971600000000, 0.0001647300000000, 0.0000511000000000 ] - [ 0.0001923300000000, -0.0002824200000000, 0.0001354200000000 ] - [ -0.0000246500000000, 0.0002224300000000, 0.0000430500000000 ] - [ 0.0000530600000000, 0.0000413400000000, 0.0002517600000000 ] - [ 0.0003923700000000, 0.0001352900000000, 0.0000686100000000 ] - [ -0.0000087100000000, 0.0000018300000000, 0.0001060300000000 ] - [ -0.0001228000000000, 0.0000801300000000, 0.0000386200000000 ] - [ -0.0013124200000000, -0.0012344300000000, 0.0010149400000000 ] - [ -0.0002235100000000, 0.0001872600000000, 0.0000031200000000 ] - [ -0.0000810500000000, -0.0000382500000000, -0.0002460900000000 ] - [ 0.0000356600000000, -0.0000941900000000, -0.0002680700000000 ] - [ -0.0014593500000000, -0.0002381200000000, -0.0003731700000000 ] - [ -0.0001129600000000, 0.0001628200000000, 0.0000048000000000 ] - [ 0.0000499000000000, 0.0002909700000000, -0.0001610800000000 ] - [ 0.0000518900000000, -0.0001581100000000, -0.0001817700000000 ] - [ 0.0021444900000000, 0.0027493800000000, 0.0018218800000000 ] - [ 0.0000148800000000, 0.0002028000000000, -0.0001282800000000 ] - [ 0.0003205800000000, 0.0054488900000000, -0.0020993700000000 ] - [ 0.0000219400000000, 0.0000070300000000, -0.0000268100000000 ] - [ -0.0001511600000000, 0.0002905800000000, -0.0002273300000000 ] - [ -0.0015821200000000, 0.0007661800000000, 0.0028659400000000 ] - [ -0.0071158400000000, -0.0644361600000000, 0.0173387500000000 ] - [ -0.0000347500000000, 0.0000178700000000, -0.0001283000000000 ] - [ -0.0000850600000000, 0.0000420100000000, -0.0000841400000000 ] - [ -0.0003882200000000, 0.0007255500000000, -0.0029834800000000 ] - [ 0.0001787700000000, -0.0002365300000000, 0.0000475300000000 ] - [ 0.0000052300000000, 0.0001264700000000, 0.0000404700000000 ] - [ 0.0003272700000000, 0.0002363200000000, -0.0000343600000000 ] - [ 0.0001586000000000, -0.0000367800000000, -0.0001332600000000 ] - [ -0.0001161000000000, 0.0002216000000000, -0.0000408600000000 ] - [ -0.0000367600000000, -0.0001394600000000, -0.0000082400000000 ] - [ 0.0010819200000000, 0.0012168900000000, 0.0006306800000000 ] - [ 0.0001150000000000, -0.0003070300000000, -0.0001791700000000 ] - [ 0.0003938600000000, 0.0000908300000000, 0.0001520500000000 ] - [ 0.0001277300000000, 0.0001039100000000, -0.0001223100000000 ] - [ 0.0001602200000000, -0.0000144300000000, 0.0000856700000000 ] - [ 0.0003059200000000, -0.0001069000000000, 0.0000405900000000 ] - [ -0.0000826700000000, 0.0000384700000000, 0.0002315900000000 ] - [ -0.0000550900000000, 0.0002279600000000, 0.0000226000000000 ] - [ -0.0001302100000000, -0.0001595300000000, -0.0001097000000000 ] - [ -0.0020296900000000, 0.0056566900000000, -0.0004121300000000 ] - [ 0.0000664600000000, -0.0000049800000000, -0.0000259300000000 ] - [ -0.0023449700000000, 0.0038175800000000, 0.0003464800000000 ] - [ 0.0003547900000000, -0.0002264400000000, -0.0002771800000000 ] - [ -0.0000280000000000, -0.0001156300000000, 0.0001475200000000 ] - [ 0.0002086800000000, -0.0004809600000000, -0.0002819100000000 ] - [ 0.0002599800000000, -0.0000301800000000, 0.0002440800000000 ] - [ 0.0005455300000000, 0.0014797200000000, -0.0024442200000000 ] - [ -0.0000785100000000, 0.0001173200000000, -0.0002404900000000 ] - [ -0.0003296700000000, 0.0000991200000000, 0.0001333000000000 ] - [ -0.0006051800000000, -0.0000957400000000, -0.0003158300000000 ] - [ -0.0002624800000000, -0.0000064100000000, -0.0000993900000000 ] - [ -0.0001318100000000, -0.0000827500000000, 0.0001129300000000 ] - [ -0.0000967000000000, 0.0001372700000000, -0.0001338900000000 ] - [ -0.0000832600000000, -0.0001405200000000, -0.0001050800000000 ] - [ 0.0000361300000000, 0.0000023600000000, -0.0000051700000000 ] - [ -0.0016847800000000, -0.0002918100000000, 0.0007579900000000 ] - [ 0.0008192600000000, 0.0001469400000000, -0.0002656300000000 ] - [ 0.0001059500000000, -0.0001330600000000, 0.0001572600000000 ] - [ 0.0001575200000000, -0.0001592400000000, -0.0001979600000000 ] - [ 0.0009607000000000, -0.0005925300000000, -0.0003438200000000 ] - [ -0.0073168700000000, 0.0105175600000000, -0.0004008000000000 ] - [ -0.0000830400000000, 0.0002457600000000, 0.0001836100000000 ] - [ 0.0002890400000000, -0.0002966800000000, 0.0009036900000000 ] - [ 0.0010715500000000, 0.0004141700000000, -0.0000341600000000 ] - [ 0.0169825200000000, 0.0349972200000000, -0.0154428900000000 ] - [ 0.0000759800000000, -0.0000819600000000, 0.0000331700000000 ] - [ -0.0000855500000000, 0.0000753800000000, 0.0003471900000000 ] - [ -0.0006852700000000, -0.0007817300000000, -0.0002643300000000 ] - [ 0.0000135200000000, -0.0001893200000000, 0.0000646000000000 ] - [ -0.0000914200000000, 0.0007202400000000, -0.0001400600000000 ] - [ 0.0002176400000000, -0.0006880900000000, 0.0003052100000000 ] - [ 0.0001072400000000, -0.0000005800000000, 0.0000862000000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001234300000000, 0.0000012500000000, -0.0000281600000000 ] - [ 0.0000892800000000, -0.0000062500000000, -0.0001028600000000 ] - [ -0.0001573800000000, 0.0001556400000000, 0.0000157600000000 ] - [ -0.0003766900000000, 0.0001781500000000, 0.0002950300000000 ] - [ 0.0000889000000000, -0.0002854500000000, -0.0000274200000000 ] - [ 0.0000573100000000, 0.0001876000000000, 0.0000520900000000 ] - [ -0.0001360400000000, 0.0000427800000000, -0.0000463500000000 ] - [ -0.0001251500000000, 0.0000470500000000, -0.0000105200000000 ] - [ 0.0000498100000000, -0.0004243500000000, -0.0000403300000000 ] - [ 0.0000638600000000, 0.0002848700000000, -0.0000595000000000 ] - [ 0.0000008200000000, -0.0001498800000000, 0.0001163300000000 ] - [ -0.0000058900000000, 0.0001311000000000, 0.0001834900000000 ] - [ -0.0001367700000000, -0.0000229500000000, 0.0001967300000000 ] - [ -0.0001760300000000, 0.0000447700000000, 0.0000920300000000 ] - [ -0.0000274100000000, -0.0002155500000000, 0.0000745500000000 ] - [ -0.0000227300000000, 0.0001931500000000, 0.0001172600000000 ] - [ -0.0002187600000000, -0.0001240100000000, -0.0000009100000000 ] - [ -0.0000034500000000, 0.0001827800000000, 0.0000910300000000 ] - [ 0.0000787700000000, -0.0000451000000000, 0.0002361200000000 ] - [ -0.0002627400000000, -0.0001321100000000, 0.0004201500000000 ] - [ -0.0001641100000000, 0.0000195400000000, 0.0000383100000000 ] - [ -0.0000490200000000, -0.0001048000000000, 0.0001060500000000 ] - [ 0.0008726200000000, 0.0008491900000000, -0.0009658500000000 ] - [ -0.0001753500000000, 0.0002176200000000, 0.0000333200000000 ] - [ 0.0000510400000000, -0.0001220800000000, -0.0000222300000000 ] - [ -0.0000649200000000, 0.0002538600000000, -0.0000016700000000 ] - [ 0.0012678000000000, 0.0000136200000000, 0.0004284400000000 ] - [ -0.0000527100000000, 0.0000631300000000, 0.0000572800000000 ] - [ 0.0000824700000000, -0.0001979200000000, -0.0001469000000000 ] - [ 0.0000789600000000, 0.0000638200000000, -0.0001299800000000 ] - [ -0.0021650800000000, -0.0028559100000000, -0.0017441100000000 ] - [ -0.0000750600000000, -0.0000298100000000, 0.0001647800000000 ] - [ -0.0003054500000000, -0.0051891400000000, 0.0019597000000000 ] - [ -0.0000269300000000, -0.0002226600000000, -0.0000934100000000 ] - [ 0.0002484700000000, -0.0000226400000000, 0.0003581500000000 ] - [ 0.0016864500000000, -0.0010345300000000, -0.0027520500000000 ] - [ 0.0061683400000000, 0.0629008100000000, -0.0167671300000000 ] - [ -0.0000351300000000, -0.0000106100000000, -0.0000980800000000 ] - [ -0.0000517100000000, -0.0001016300000000, 0.0000231000000000 ] - [ 0.0002367300000000, -0.0006640800000000, 0.0028922800000000 ] - [ -0.0002438800000000, 0.0001573300000000, -0.0000891400000000 ] - [ -0.0000818000000000, -0.0000518700000000, -0.0000712000000000 ] - [ 0.0001769300000000, -0.0003077700000000, 0.0000381200000000 ] - [ 0.0003479100000000, 0.0001055300000000, 0.0001358100000000 ] - [ 0.0001185500000000, -0.0001251300000000, -0.0001132700000000 ] - [ 0.0000392300000000, 0.0000407300000000, -0.0001458500000000 ] - [ -0.0010139100000000, -0.0008123700000000, -0.0007701800000000 ] - [ -0.0000314200000000, -0.0001048400000000, 0.0000527000000000 ] - [ -0.0001111700000000, -0.0002974000000000, -0.0002280900000000 ] - [ 0.0001548500000000, 0.0001038100000000, 0.0000445100000000 ] - [ 0.0001577700000000, -0.0000090100000000, 0.0000766900000000 ] - [ 0.0000112200000000, 0.0001308200000000, 0.0001217000000000 ] - [ -0.0001925800000000, -0.0001112200000000, -0.0000057600000000 ] - [ -0.0002206800000000, -0.0001559100000000, 0.0002023300000000 ] - [ 0.0000182800000000, 0.0000568000000000, 0.0001175000000000 ] - [ 0.0019689500000000, -0.0056884400000000, 0.0004338500000000 ] - [ 0.0000698900000000, -0.0000600700000000, 0.0000062700000000 ] - [ 0.0024238800000000, -0.0036745600000000, -0.0003598900000000 ] - [ -0.0004504600000000, 0.0005325100000000, 0.0005007400000000 ] - [ -0.0000776700000000, -0.0001914300000000, 0.0000845400000000 ] - [ -0.0000346700000000, 0.0001707700000000, 0.0000685700000000 ] - [ -0.0000874700000000, 0.0003402000000000, -0.0004545500000000 ] - [ -0.0006207600000000, -0.0017367200000000, 0.0024034000000000 ] - [ 0.0000383800000000, 0.0000821600000000, 0.0000939000000000 ] - [ -0.0000049100000000, 0.0001146500000000, -0.0005092400000000 ] - [ 0.0002707500000000, -0.0001223600000000, -0.0000666300000000 ] - [ 0.0000759400000000, 0.0001615600000000, 0.0000674300000000 ] - [ -0.0000555600000000, -0.0000753900000000, -0.0001435000000000 ] - [ 0.0001662100000000, 0.0000059500000000, 0.0000082300000000 ] - [ 0.0001513400000000, -0.0000053600000000, -0.0000196300000000 ] - [ -0.0000088400000000, 0.0000315400000000, -0.0000626700000000 ] - [ 0.0017153700000000, 0.0002613300000000, -0.0008348000000000 ] - [ -0.0006247900000000, -0.0001774200000000, 0.0002951500000000 ] - [ 0.0000893000000000, 0.0001630200000000, -0.0001259600000000 ] - [ 0.0001589700000000, 0.0002199200000000, 0.0000043900000000 ] - [ -0.0006156000000000, 0.0005454200000000, 0.0001335600000000 ] - [ 0.0072836400000000, -0.0107803500000000, 0.0004742600000000 ] - [ -0.0001107600000000, 0.0000056000000000, -0.0000816400000000 ] - [ -0.0002795700000000, 0.0004538100000000, -0.0008506100000000 ] - [ -0.0010542900000000, -0.0005807900000000, 0.0001165500000000 ] - [ -0.0160810500000000, -0.0335309100000000, 0.0145120800000000 ] - [ 0.0000857600000000, 0.0001811600000000, -0.0001382400000000 ] - [ -0.0001203100000000, -0.0000159900000000, -0.0002889500000000 ] - [ 0.0004884600000000, 0.0007142900000000, 0.0003193500000000 ] - [ -0.0000754400000000, -0.0000036000000000, 0.0000154600000000 ] - [ 0.0000226500000000, -0.0005196400000000, 0.0002227200000000 ] - [ -0.0001895700000000, 0.0006526800000000, -0.0001607400000000 ] - [ -0.0000776400000000, 0.0000376800000000, 0.0000562200000000 ]- atom: 37 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000968000000000, 0.0000345400000000, -0.0000415400000000 ] - [ 0.0001073900000000, -0.0000046000000000, -0.0001231500000000 ] - [ -0.0001482500000000, 0.0001191300000000, -0.0000062900000000 ] - [ -0.0007391700000000, -0.0004269500000000, -0.0006015100000000 ] - [ 0.0000484800000000, -0.0001603800000000, -0.0000633300000000 ] - [ 0.0000547200000000, 0.0001924900000000, 0.0000985800000000 ] - [ -0.0001967200000000, 0.0000412200000000, -0.0000550600000000 ] - [ -0.0001224200000000, 0.0000730300000000, 0.0000056200000000 ] - [ 0.0000120600000000, -0.0003253300000000, -0.0000799600000000 ] - [ 0.0000479500000000, 0.0003199000000000, -0.0000496900000000 ] - [ -0.0000134200000000, -0.0001206700000000, 0.0001010400000000 ] - [ -0.0000382100000000, 0.0000760700000000, 0.0002329000000000 ] - [ -0.0001870000000000, -0.0000264200000000, 0.0002337900000000 ] - [ -0.0002146600000000, 0.0001320400000000, 0.0000994000000000 ] - [ -0.0000456200000000, -0.0002048200000000, 0.0000767500000000 ] - [ -0.0000686700000000, 0.0001910800000000, 0.0001537700000000 ] - [ -0.0000892300000000, -0.0001153000000000, -0.0001186600000000 ] - [ -0.0000321100000000, 0.0001870500000000, 0.0000982300000000 ] - [ 0.0000576200000000, -0.0000199200000000, 0.0002509400000000 ] - [ -0.0002965000000000, -0.0001079300000000, 0.0005073100000000 ] - [ -0.0000741700000000, -0.0000494000000000, -0.0000913300000000 ] - [ -0.0000700300000000, -0.0000430200000000, 0.0001120400000000 ] - [ -0.0018307500000000, 0.0021692100000000, 0.0006603100000000 ] - [ -0.0001980100000000, 0.0001944600000000, 0.0000438100000000 ] - [ 0.0000069900000000, -0.0000958100000000, -0.0000949100000000 ] - [ -0.0001075900000000, 0.0000575600000000, 0.0000262700000000 ] - [ 0.0031638900000000, 0.0004128800000000, -0.0004857800000000 ] - [ -0.0000865000000000, 0.0001980400000000, 0.0002372700000000 ] - [ 0.0000872200000000, 0.0000149300000000, -0.0001402000000000 ] - [ -0.0000359300000000, -0.0000396500000000, -0.0000127100000000 ] - [ 0.0014001200000000, 0.0013569500000000, -0.0006896300000000 ] - [ -0.0000473900000000, 0.0000142600000000, 0.0001409400000000 ] - [ 0.0006925500000000, -0.0030829200000000, 0.0012896500000000 ] - [ 0.0000171200000000, -0.0001035100000000, -0.0000399600000000 ] - [ 0.0002743500000000, -0.0000691900000000, 0.0003218000000000 ] - [ -0.0017831700000000, 0.0005355800000000, 0.0033795400000000 ] - [ 0.0255518400000000, 0.0169766300000000, -0.0346952200000000 ] - [ -0.0000353900000000, 0.0000186300000000, -0.0000689800000000 ] - [ -0.0000278600000000, -0.0000499000000000, 0.0000075900000000 ] - [ -0.0009015800000000, -0.0016748300000000, 0.0037328900000000 ] - [ -0.0012774500000000, 0.0008996300000000, 0.0025459900000000 ] - [ 0.0000241400000000, 0.0000211900000000, -0.0000724000000000 ] - [ 0.0002609900000000, -0.0000752800000000, -0.0000070900000000 ] - [ 0.0003935300000000, 0.0001618000000000, 0.0002701800000000 ] - [ 0.0001104100000000, -0.0000552300000000, -0.0001551800000000 ] - [ 0.0000116200000000, 0.0000596200000000, -0.0000563900000000 ] - [ 0.0004158100000000, 0.0005624600000000, 0.0002360700000000 ] - [ -0.0000297500000000, -0.0001997000000000, 0.0000792500000000 ] - [ 0.0000022200000000, -0.0002562200000000, -0.0002029400000000 ] - [ 0.0001946200000000, 0.0000090100000000, 0.0002196300000000 ] - [ 0.0001222400000000, -0.0000635800000000, 0.0000671600000000 ] - [ -0.0000304600000000, 0.0001129200000000, 0.0001963000000000 ] - [ -0.0002008600000000, -0.0000783300000000, -0.0000158400000000 ] - [ -0.0002092000000000, -0.0001394000000000, 0.0002000200000000 ] - [ 0.0000724900000000, -0.0000146200000000, 0.0002448600000000 ] - [ 0.0006116400000000, -0.0013213500000000, -0.0003728200000000 ] - [ 0.0000970700000000, -0.0000202300000000, 0.0000189900000000 ] - [ 0.0000231200000000, 0.0005254600000000, -0.0003888900000000 ] - [ -0.0011708400000000, 0.0003917300000000, 0.0009003200000000 ] - [ -0.0000679500000000, -0.0001652600000000, 0.0001142800000000 ] - [ 0.0000637400000000, -0.0002010500000000, -0.0000783900000000 ] - [ -0.0000865300000000, 0.0004098700000000, -0.0004520100000000 ] - [ -0.0011898500000000, -0.0029378100000000, 0.0035891500000000 ] - [ -0.0002675800000000, -0.0000118700000000, -0.0001711500000000 ] - [ -0.0000142100000000, 0.0002354700000000, -0.0006353700000000 ] - [ 0.0001116900000000, -0.0001142900000000, -0.0001088900000000 ] - [ 0.0000705000000000, 0.0001189200000000, 0.0000918000000000 ] - [ -0.0000735100000000, 0.0000237800000000, -0.0002576200000000 ] - [ 0.0001949700000000, -0.0000322700000000, -0.0000062500000000 ] - [ 0.0002467200000000, -0.0000821800000000, -0.0000055800000000 ] - [ 0.0000793500000000, 0.0000454300000000, -0.0000605800000000 ] - [ 0.0008391300000000, -0.0002437900000000, -0.0010509300000000 ] - [ -0.0005013500000000, -0.0003839500000000, 0.0021302500000000 ] - [ 0.0001254900000000, 0.0000025700000000, -0.0001957100000000 ] - [ 0.0001231600000000, 0.0000716300000000, -0.0000887400000000 ] - [ 0.0003414100000000, 0.0005270100000000, -0.0010792000000000 ] - [ -0.0129992000000000, -0.0012220800000000, 0.0086242000000000 ] - [ -0.0001527500000000, 0.0000747500000000, -0.0003070600000000 ] - [ -0.0001320900000000, 0.0003500800000000, -0.0001526100000000 ] - [ -0.0002932000000000, 0.0000434900000000, 0.0015504600000000 ] - [ -0.0104860000000000, -0.0134795300000000, 0.0109497800000000 ] - [ 0.0000320000000000, 0.0000571900000000, -0.0001518900000000 ] - [ 0.0000721600000000, 0.0002390200000000, -0.0008513200000000 ] - [ -0.0000155300000000, 0.0003240600000000, 0.0002280100000000 ] - [ -0.0001234000000000, -0.0000207300000000, -0.0000267700000000 ] - [ 0.0005062400000000, -0.0005595300000000, 0.0001105500000000 ] - [ 0.0000793000000000, -0.0001486500000000, 0.0002325800000000 ] - [ -0.0001328100000000, -0.0000352800000000, -0.0000007400000000 ]- atom: 37 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000455800000000, -0.0000533900000000, -0.0000959100000000 ] - [ 0.0000350600000000, 0.0000241400000000, -0.0000151400000000 ] - [ -0.0001107200000000, 0.0000537200000000, 0.0000740800000000 ] - [ 0.0004934600000000, 0.0002580100000000, 0.0006786300000000 ] - [ 0.0000734200000000, -0.0001737600000000, 0.0000342000000000 ] - [ 0.0000669500000000, 0.0001419000000000, -0.0001264300000000 ] - [ 0.0000176200000000, -0.0002083400000000, 0.0000669900000000 ] - [ -0.0000558600000000, 0.0000957400000000, 0.0000076100000000 ] - [ 0.0001286400000000, -0.0002491900000000, -0.0000416400000000 ] - [ 0.0000922500000000, 0.0002555400000000, -0.0000720400000000 ] - [ 0.0000648000000000, -0.0001513800000000, 0.0001456100000000 ] - [ 0.0000895300000000, 0.0001957200000000, 0.0000154400000000 ] - [ 0.0000764600000000, -0.0001443600000000, 0.0000702000000000 ] - [ 0.0001046900000000, 0.0000397100000000, 0.0002038200000000 ] - [ 0.0001189500000000, -0.0001534700000000, 0.0000915300000000 ] - [ 0.0001415900000000, 0.0001675400000000, 0.0000151300000000 ] - [ 0.0000606300000000, -0.0002904100000000, 0.0002514300000000 ] - [ 0.0000033000000000, 0.0002183100000000, 0.0000354400000000 ] - [ 0.0000733600000000, 0.0000165800000000, 0.0002366700000000 ] - [ 0.0004243700000000, 0.0001100000000000, -0.0000199200000000 ] - [ -0.0000981500000000, 0.0000739400000000, 0.0002350100000000 ] - [ -0.0001017500000000, 0.0000192800000000, 0.0000322100000000 ] - [ 0.0014014800000000, -0.0025582100000000, -0.0006287100000000 ] - [ -0.0002007900000000, 0.0002095700000000, -0.0000077900000000 ] - [ -0.0000375200000000, -0.0000645100000000, -0.0001746900000000 ] - [ 0.0000751800000000, 0.0001044400000000, -0.0002940900000000 ] - [ -0.0033033500000000, -0.0006477100000000, 0.0005473100000000 ] - [ -0.0000785600000000, 0.0000279400000000, -0.0001752500000000 ] - [ 0.0000440800000000, 0.0000783000000000, -0.0001723800000000 ] - [ 0.0001687300000000, -0.0000561200000000, -0.0002974500000000 ] - [ -0.0014614800000000, -0.0015153100000000, 0.0007258000000000 ] - [ -0.0000125300000000, 0.0001584500000000, -0.0001039100000000 ] - [ -0.0007016000000000, 0.0032758600000000, -0.0014169800000000 ] - [ -0.0000216100000000, -0.0001107100000000, -0.0000808300000000 ] - [ -0.0001736600000000, 0.0003329200000000, -0.0001895000000000 ] - [ 0.0019282300000000, -0.0008386700000000, -0.0033105100000000 ] - [ -0.0257720300000000, -0.0171247400000000, 0.0343537500000000 ] - [ -0.0000337000000000, -0.0000114900000000, -0.0001577200000000 ] - [ -0.0001077600000000, -0.0000092400000000, -0.0000696600000000 ] - [ 0.0007709500000000, 0.0017961600000000, -0.0038798400000000 ] - [ 0.0011752600000000, -0.0009471700000000, -0.0025012300000000 ] - [ -0.0000993700000000, 0.0000539800000000, 0.0000413900000000 ] - [ 0.0002470800000000, 0.0000045000000000, 0.0000109700000000 ] - [ 0.0001129000000000, -0.0000899800000000, -0.0002649900000000 ] - [ -0.0001071200000000, 0.0001525600000000, 0.0000007400000000 ] - [ -0.0000079700000000, -0.0001547700000000, -0.0000987600000000 ] - [ -0.0003404200000000, -0.0001576100000000, -0.0003675000000000 ] - [ 0.0001127100000000, -0.0002132500000000, -0.0002042000000000 ] - [ 0.0002796700000000, 0.0000474400000000, 0.0001247700000000 ] - [ 0.0000889300000000, 0.0001967900000000, -0.0002923500000000 ] - [ 0.0001949800000000, 0.0000383200000000, 0.0000940900000000 ] - [ 0.0003467800000000, -0.0000884000000000, -0.0000335600000000 ] - [ -0.0000767800000000, 0.0000067400000000, 0.0002394400000000 ] - [ -0.0000678100000000, 0.0002102700000000, 0.0000250100000000 ] - [ -0.0001814100000000, -0.0000879700000000, -0.0002337100000000 ] - [ -0.0007237800000000, 0.0014333900000000, 0.0003713100000000 ] - [ 0.0000405100000000, -0.0000433200000000, -0.0000381400000000 ] - [ 0.0001181700000000, -0.0004727700000000, 0.0003647200000000 ] - [ 0.0010585600000000, -0.0000822300000000, -0.0006641000000000 ] - [ -0.0000375600000000, -0.0001413800000000, 0.0001181100000000 ] - [ 0.0001066200000000, -0.0001094200000000, -0.0001329800000000 ] - [ 0.0002556500000000, -0.0001012400000000, 0.0002370800000000 ] - [ 0.0010852800000000, 0.0026050700000000, -0.0036033400000000 ] - [ 0.0002262900000000, 0.0002122800000000, 0.0000227100000000 ] - [ -0.0003207400000000, -0.0000143800000000, 0.0002515100000000 ] - [ -0.0004482600000000, -0.0001046900000000, -0.0002718100000000 ] - [ -0.0002572500000000, 0.0000386300000000, -0.0001236900000000 ] - [ -0.0001152100000000, -0.0001789600000000, 0.0002215700000000 ] - [ -0.0001229900000000, 0.0001728100000000, -0.0001166000000000 ] - [ -0.0001772300000000, -0.0000624200000000, -0.0001181900000000 ] - [ -0.0000495600000000, -0.0000105700000000, -0.0000078000000000 ] - [ -0.0008024400000000, 0.0002212300000000, 0.0009882200000000 ] - [ 0.0006942400000000, 0.0003458500000000, -0.0021089500000000 ] - [ 0.0000711700000000, 0.0000295400000000, 0.0002228900000000 ] - [ 0.0001961800000000, -0.0000129500000000, -0.0001019200000000 ] - [ -0.0000082500000000, -0.0005831000000000, 0.0008954200000000 ] - [ 0.0128628100000000, 0.0009590000000000, -0.0084243400000000 ] - [ -0.0000399400000000, 0.0001795500000000, 0.0004060100000000 ] - [ 0.0001429200000000, -0.0001878700000000, 0.0002221400000000 ] - [ 0.0003189200000000, -0.0002024700000000, -0.0015299900000000 ] - [ 0.0107577600000000, 0.0136055200000000, -0.0110031700000000 ] - [ 0.0001273400000000, 0.0000419700000000, 0.0000463500000000 ] - [ -0.0002706000000000, -0.0001718000000000, 0.0008913600000000 ] - [ -0.0001892900000000, -0.0003865500000000, -0.0001731900000000 ] - [ 0.0000581200000000, -0.0001730700000000, 0.0001043200000000 ] - [ -0.0005657300000000, 0.0007467400000000, -0.0000254700000000 ] - [ -0.0000558600000000, 0.0001143400000000, -0.0000926300000000 ] - [ 0.0001584600000000, 0.0000690200000000, 0.0001420300000000 ]- atom: 39 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ -0.0000170600000000, -0.0000310000000000, -0.0001210100000000 ] - [ 0.0000213900000000, -0.0000402400000000, -0.0000346600000000 ] - [ 0.0006437200000000, 0.0003479700000000, 0.0004895900000000 ] - [ -0.0001211600000000, -0.0000906800000000, 0.0000306500000000 ] - [ 0.0001617300000000, -0.0003092100000000, 0.0003073900000000 ] - [ 0.0000982900000000, 0.0001922300000000, -0.0000956700000000 ] - [ 0.0000093800000000, -0.0000681200000000, -0.0000109500000000 ] - [ 0.0000190000000000, 0.0001019400000000, 0.0000154900000000 ] - [ 0.0002029300000000, -0.0002077300000000, -0.0000096800000000 ] - [ 0.0001652300000000, 0.0002866300000000, -0.0000618700000000 ] - [ 0.0001646500000000, -0.0002491600000000, 0.0001361000000000 ] - [ 0.0000836300000000, 0.0001804700000000, 0.0000950200000000 ] - [ 0.0001186400000000, -0.0000709600000000, 0.0002093500000000 ] - [ 0.0001136800000000, 0.0000775300000000, 0.0002091500000000 ] - [ 0.0004173500000000, -0.0001615900000000, -0.0000145000000000 ] - [ 0.0001466100000000, 0.0001663300000000, 0.0000657200000000 ] - [ 0.0000431800000000, -0.0002125700000000, 0.0000713100000000 ] - [ 0.0006358400000000, 0.0002506700000000, 0.0003380600000000 ] - [ 0.0001607500000000, -0.0001120800000000, 0.0002721600000000 ] - [ 0.0001248000000000, -0.0000094000000000, 0.0002232100000000 ] - [ -0.0001035300000000, -0.0000583700000000, 0.0000429200000000 ] - [ 0.0000018900000000, -0.0001320500000000, 0.0000818200000000 ] - [ -0.0002139200000000, -0.0001257500000000, -0.0000069700000000 ] - [ -0.0002634200000000, 0.0002672300000000, 0.0000791500000000 ] - [ 0.0052432700000000, 0.0030910100000000, -0.0043445500000000 ] - [ -0.0000101800000000, 0.0000927100000000, -0.0001093700000000 ] - [ -0.0000961800000000, -0.0000557500000000, -0.0000667100000000 ] - [ -0.0001378200000000, 0.0002004200000000, 0.0001098300000000 ] - [ 0.0029055200000000, -0.0023733300000000, -0.0010120500000000 ] - [ 0.0000781200000000, -0.0001414900000000, -0.0000770200000000 ] - [ -0.0001300200000000, -0.0000659000000000, 0.0000260400000000 ] - [ -0.0011990300000000, -0.0024200200000000, 0.0043569700000000 ] - [ -0.0000356800000000, 0.0000311100000000, 0.0000198700000000 ] - [ 0.0005654700000000, -0.0010630500000000, -0.0004819300000000 ] - [ -0.0004992600000000, 0.0018561200000000, 0.0005776700000000 ] - [ 0.0000076500000000, -0.0001598700000000, 0.0000589300000000 ] - [ -0.0001267700000000, -0.0000219200000000, -0.0000705800000000 ] - [ -0.0009022100000000, 0.0003132300000000, -0.0009601600000000 ] - [ -0.0775415600000000, -0.0062202400000000, -0.0189310600000000 ] - [ -0.0001445300000000, 0.0000428500000000, -0.0000415300000000 ] - [ -0.0001207400000000, 0.0000116400000000, -0.0000122500000000 ] - [ -0.0002013900000000, -0.0000240900000000, 0.0001354100000000 ] - [ 0.0008980700000000, -0.0002592400000000, 0.0011848100000000 ] - [ 0.0001336100000000, 0.0000718300000000, -0.0000648400000000 ] - [ 0.0000179500000000, 0.0001037900000000, -0.0000744800000000 ] - [ 0.0005945900000000, 0.0009934400000000, -0.0003519400000000 ] - [ 0.0000062100000000, 0.0001000300000000, 0.0000321700000000 ] - [ 0.0001003800000000, -0.0003870500000000, -0.0001283100000000 ] - [ 0.0013560700000000, -0.0006121000000000, 0.0016834300000000 ] - [ 0.0001215600000000, 0.0001028000000000, -0.0000672300000000 ] - [ 0.0004114600000000, 0.0000739700000000, -0.0000623100000000 ] - [ 0.0002251900000000, -0.0000378900000000, 0.0000588900000000 ] - [ 0.0000224100000000, -0.0001964400000000, 0.0000684800000000 ] - [ -0.0000413500000000, -0.0000005400000000, 0.0002213700000000 ] - [ -0.0001860000000000, 0.0000656900000000, 0.0000339100000000 ] - [ -0.0005402000000000, 0.0001408400000000, -0.0005767300000000 ] - [ -0.0000751100000000, 0.0001604400000000, -0.0011285600000000 ] - [ 0.0000179700000000, 0.0001481700000000, 0.0000868100000000 ] - [ -0.0000480000000000, 0.0002115200000000, 0.0001753300000000 ] - [ -0.0000851000000000, -0.0001544100000000, 0.0001379300000000 ] - [ 0.0012952200000000, -0.0029060300000000, -0.0014255500000000 ] - [ 0.0005116000000000, 0.0003643200000000, -0.0001352700000000 ] - [ 0.0002343600000000, 0.0003419800000000, -0.0001673200000000 ] - [ 0.0001012800000000, 0.0001629700000000, -0.0000922700000000 ] - [ -0.0004993500000000, 0.0000763400000000, -0.0002853700000000 ] - [ -0.0002793300000000, 0.0000260700000000, -0.0001833600000000 ] - [ -0.0010760000000000, 0.0001036400000000, -0.0002256400000000 ] - [ -0.0001791600000000, -0.0000875800000000, 0.0000145500000000 ] - [ -0.0003129000000000, 0.0001001800000000, -0.0001329500000000 ] - [ -0.0004294900000000, -0.0001468900000000, 0.0000294000000000 ] - [ -0.0013372600000000, 0.0000104500000000, 0.0000162400000000 ] - [ -0.0001757100000000, -0.0000862300000000, -0.0000122100000000 ] - [ 0.0001074400000000, -0.0000178400000000, 0.0001468300000000 ] - [ -0.0017742700000000, 0.0001726400000000, -0.0008970400000000 ] - [ 0.0018023700000000, -0.0005438700000000, 0.0001632800000000 ] - [ 0.0001195000000000, 0.0001039800000000, -0.0001328800000000 ] - [ 0.0000876900000000, -0.0000955000000000, 0.0001347600000000 ] - [ 0.0016361900000000, 0.0001937300000000, 0.0009189200000000 ] - [ 0.0428808100000000, 0.0107005600000000, 0.0013861300000000 ] - [ 0.0000671400000000, -0.0000230600000000, -0.0000667400000000 ] - [ 0.0003231400000000, -0.0000328000000000, -0.0001231900000000 ] - [ 0.0240237800000000, -0.0018769800000000, 0.0188737100000000 ] - [ 0.0002546300000000, 0.0002041800000000, 0.0001694900000000 ] - [ 0.0002716500000000, 0.0004206300000000, -0.0008184600000000 ] - [ -0.0000127100000000, 0.0001288400000000, 0.0002360000000000 ] - [ -0.0001046700000000, -0.0003615800000000, -0.0002376400000000 ] - [ -0.0004826500000000, -0.0003038000000000, -0.0003720800000000 ] - [ -0.0002512300000000, -0.0002387200000000, 0.0005006300000000 ]- atom: 39 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0001580800000000, 0.0000115700000000, -0.0000148900000000 ] - [ 0.0001198800000000, 0.0000602300000000, -0.0001019700000000 ] - [ -0.0008840500000000, -0.0001721400000000, -0.0003960800000000 ] - [ -0.0001364200000000, -0.0000816400000000, 0.0000383300000000 ] - [ -0.0000410300000000, -0.0000270600000000, -0.0003390300000000 ] - [ 0.0000234800000000, 0.0001454100000000, 0.0000698400000000 ] - [ -0.0001877000000000, -0.0000994800000000, 0.0000230400000000 ] - [ -0.0001977800000000, 0.0000650500000000, -0.0000043000000000 ] - [ -0.0000647500000000, -0.0003695600000000, -0.0001115200000000 ] - [ -0.0000272600000000, 0.0002890400000000, -0.0000594400000000 ] - [ -0.0001160800000000, -0.0000198300000000, 0.0001113300000000 ] - [ -0.0000343000000000, 0.0000897100000000, 0.0001542200000000 ] - [ -0.0002286800000000, -0.0001008800000000, 0.0000922000000000 ] - [ -0.0002237700000000, 0.0000953400000000, 0.0000919900000000 ] - [ -0.0003463400000000, -0.0001974600000000, 0.0001852500000000 ] - [ -0.0000748000000000, 0.0001929600000000, 0.0001058500000000 ] - [ -0.0000684000000000, -0.0001932700000000, 0.0000659100000000 ] - [ -0.0006576000000000, 0.0001549000000000, -0.0002001500000000 ] - [ -0.0000360400000000, 0.0001051400000000, 0.0002148200000000 ] - [ 0.0000075400000000, 0.0000148100000000, 0.0002620200000000 ] - [ -0.0000658600000000, 0.0000840800000000, 0.0001027400000000 ] - [ -0.0001748500000000, 0.0001087100000000, 0.0000595900000000 ] - [ -0.0001832100000000, -0.0002794000000000, 0.0000440800000000 ] - [ -0.0001373000000000, 0.0001365800000000, -0.0000423600000000 ] - [ -0.0051859400000000, -0.0032139800000000, 0.0040216700000000 ] - [ -0.0000197700000000, 0.0000666100000000, -0.0001605300000000 ] - [ -0.0000685800000000, -0.0001733600000000, 0.0001306200000000 ] - [ -0.0000284400000000, 0.0000291400000000, -0.0000488700000000 ] - [ -0.0027357700000000, 0.0024256200000000, 0.0006680800000000 ] - [ 0.0000517600000000, 0.0000516700000000, -0.0002358300000000 ] - [ 0.0000676300000000, -0.0001027600000000, 0.0000127000000000 ] - [ 0.0011185100000000, 0.0025679500000000, -0.0042986300000000 ] - [ 0.0000275600000000, 0.0001845500000000, -0.0001427100000000 ] - [ -0.0005851900000000, 0.0008608200000000, 0.0003438900000000 ] - [ 0.0005804100000000, -0.0015801700000000, -0.0004503200000000 ] - [ 0.0000874600000000, -0.0001082400000000, 0.0000690800000000 ] - [ 0.0000577600000000, 0.0000135000000000, -0.0001536000000000 ] - [ 0.0008311900000000, -0.0003156800000000, 0.0007067300000000 ] - [ 0.0752694500000000, 0.0054467000000000, 0.0187633400000000 ] - [ 0.0000087800000000, 0.0000185000000000, -0.0000256800000000 ] - [ 0.0000466200000000, -0.0000878700000000, -0.0000216800000000 ] - [ 0.0001277500000000, 0.0001015900000000, -0.0001707900000000 ] - [ -0.0003866400000000, 0.0001885300000000, -0.0011761800000000 ] - [ 0.0003751000000000, -0.0000005000000000, 0.0000711700000000 ] - [ -0.0000111200000000, -0.0000072000000000, -0.0000808600000000 ] - [ -0.0005909000000000, -0.0010994900000000, 0.0001967700000000 ] - [ 0.0000837700000000, 0.0003165900000000, -0.0001620000000000 ] - [ -0.0000121900000000, -0.0000272800000000, 0.0000002300000000 ] - [ -0.0010872900000000, 0.0004213100000000, -0.0017894200000000 ] - [ 0.0001649800000000, 0.0001011500000000, -0.0000077600000000 ] - [ -0.0000970300000000, -0.0000973500000000, 0.0002243400000000 ] - [ 0.0000901300000000, 0.0000615200000000, 0.0001020900000000 ] - [ -0.0002979600000000, 0.0001306800000000, 0.0001565100000000 ] - [ -0.0002366400000000, 0.0000699600000000, -0.0000015500000000 ] - [ 0.0000749600000000, -0.0001726600000000, -0.0000222000000000 ] - [ 0.0004197700000000, -0.0000379300000000, 0.0005832500000000 ] - [ 0.0002109700000000, -0.0002316500000000, 0.0011195300000000 ] - [ 0.0001229000000000, -0.0000820900000000, -0.0001033100000000 ] - [ -0.0000552900000000, 0.0000929100000000, 0.0000582700000000 ] - [ -0.0000176000000000, -0.0001505100000000, 0.0000955200000000 ] - [ -0.0011560100000000, 0.0025929800000000, 0.0012068100000000 ] - [ -0.0003439600000000, -0.0000511100000000, -0.0000781500000000 ] - [ -0.0002777000000000, -0.0005431100000000, 0.0000221700000000 ] - [ -0.0001427100000000, 0.0000398500000000, -0.0000514200000000 ] - [ 0.0001581200000000, 0.0001408300000000, -0.0000943600000000 ] - [ -0.0000628200000000, -0.0002451100000000, -0.0001962900000000 ] - [ 0.0008921100000000, 0.0000535900000000, 0.0001981900000000 ] - [ -0.0000123600000000, -0.0000695100000000, -0.0000460300000000 ] - [ 0.0003850900000000, 0.0000414900000000, 0.0000105200000000 ] - [ 0.0005007100000000, 0.0000035800000000, -0.0001521400000000 ] - [ 0.0013770800000000, 0.0000349800000000, -0.0000807100000000 ] - [ 0.0002083900000000, 0.0000489200000000, -0.0000588500000000 ] - [ 0.0000923500000000, -0.0000140100000000, -0.0001170000000000 ] - [ 0.0019611100000000, -0.0001332500000000, 0.0009204700000000 ] - [ -0.0014244700000000, 0.0005678000000000, -0.0003452000000000 ] - [ 0.0002044100000000, -0.0001605600000000, -0.0000580300000000 ] - [ -0.0002747800000000, -0.0001564400000000, -0.0000295600000000 ] - [ -0.0018118600000000, 0.0000678100000000, -0.0007959000000000 ] - [ -0.0410288400000000, -0.0097817000000000, -0.0015425400000000 ] - [ -0.0000526700000000, -0.0001375400000000, 0.0001301700000000 ] - [ -0.0001675000000000, -0.0000650000000000, 0.0000216000000000 ] - [ -0.0236769600000000, 0.0019343600000000, -0.0185680200000000 ] - [ -0.0004577500000000, -0.0001444500000000, -0.0001157700000000 ] - [ -0.0004797700000000, -0.0004811600000000, 0.0008817800000000 ] - [ -0.0000539900000000, -0.0003284700000000, -0.0001607200000000 ] - [ 0.0000389500000000, 0.0005620400000000, 0.0003182300000000 ] - [ 0.0005045000000000, 0.0002690800000000, 0.0005176700000000 ] - [ 0.0002774700000000, 0.0002807100000000, -0.0003602600000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000498700000000, 0.0000083800000000, -0.0000804900000000 ] - [ 0.0000436800000000, -0.0000523100000000, -0.0000488100000000 ] - [ 0.0001382100000000, -0.0006009700000000, -0.0003876500000000 ] - [ -0.0001200700000000, -0.0001058700000000, 0.0000412500000000 ] - [ 0.0000988400000000, -0.0002319900000000, 0.0000859200000000 ] - [ 0.0000910900000000, 0.0001763700000000, -0.0000872000000000 ] - [ -0.0000580300000000, -0.0000552100000000, 0.0000014800000000 ] - [ -0.0000670900000000, 0.0000671900000000, -0.0000190800000000 ] - [ 0.0000987200000000, -0.0002780000000000, -0.0000423800000000 ] - [ 0.0001186500000000, 0.0002953500000000, -0.0000702700000000 ] - [ 0.0000267000000000, -0.0001508500000000, 0.0000978900000000 ] - [ 0.0000414000000000, 0.0001796000000000, 0.0001178300000000 ] - [ -0.0000344700000000, -0.0000530100000000, 0.0001656700000000 ] - [ -0.0000294600000000, 0.0000718900000000, 0.0001666200000000 ] - [ 0.0000469300000000, -0.0001792700000000, 0.0000715300000000 ] - [ 0.0000582400000000, 0.0001859300000000, 0.0000724600000000 ] - [ -0.0000151300000000, -0.0001850100000000, 0.0000653500000000 ] - [ 0.0000798700000000, 0.0002770700000000, 0.0001166100000000 ] - [ -0.0000428600000000, -0.0000797300000000, 0.0001642100000000 ] - [ 0.0000758400000000, 0.0000191200000000, 0.0002363000000000 ] - [ -0.0000647900000000, 0.0000717100000000, 0.0001084600000000 ] - [ -0.0001905600000000, -0.0001637800000000, 0.0000896300000000 ] - [ -0.0001918500000000, -0.0001357400000000, -0.0000099500000000 ] - [ -0.0001260200000000, 0.0001419800000000, 0.0001174500000000 ] - [ 0.0019173800000000, 0.0013259100000000, -0.0008756400000000 ] - [ -0.0000151400000000, 0.0000980600000000, -0.0001243900000000 ] - [ -0.0000638500000000, 0.0000107700000000, -0.0000737800000000 ] - [ 0.0000340400000000, 0.0001199400000000, 0.0001051800000000 ] - [ -0.0024614700000000, -0.0002546400000000, -0.0004995200000000 ] - [ 0.0000486000000000, 0.0000025100000000, -0.0001947800000000 ] - [ -0.0001420900000000, 0.0000698300000000, 0.0001798000000000 ] - [ -0.0008692400000000, 0.0004829800000000, -0.0004352500000000 ] - [ -0.0000212100000000, 0.0001405100000000, -0.0000510100000000 ] - [ -0.0037450500000000, 0.0025824800000000, -0.0024438900000000 ] - [ 0.0029046200000000, 0.0035376700000000, 0.0015799900000000 ] - [ 0.0000706200000000, -0.0000452400000000, 0.0000412200000000 ] - [ -0.0000419000000000, 0.0000683000000000, -0.0001334900000000 ] - [ 0.0013183500000000, 0.0006959500000000, 0.0016309100000000 ] - [ -0.0060129900000000, -0.0289698900000000, 0.0090601500000000 ] - [ -0.0000791400000000, 0.0000566300000000, -0.0000263000000000 ] - [ -0.0000828000000000, 0.0000587500000000, -0.0000067100000000 ] - [ -0.0001015000000000, -0.0000140100000000, 0.0000417700000000 ] - [ 0.0006545700000000, -0.0002643600000000, 0.0009608000000000 ] - [ 0.0003060200000000, 0.0001264500000000, 0.0000230100000000 ] - [ 0.0000295500000000, 0.0000199400000000, -0.0000963900000000 ] - [ 0.0006076900000000, 0.0009626100000000, -0.0003499900000000 ] - [ 0.0000037100000000, 0.0001623200000000, -0.0000675600000000 ] - [ -0.0000131200000000, -0.0000819300000000, -0.0000300300000000 ] - [ -0.0007920100000000, 0.0003282400000000, -0.0010480100000000 ] - [ 0.0001160200000000, 0.0001448000000000, -0.0000622800000000 ] - [ 0.0002503400000000, 0.0000444800000000, 0.0000522100000000 ] - [ 0.0001739300000000, 0.0000149800000000, 0.0000621500000000 ] - [ -0.0001652600000000, -0.0000545600000000, 0.0001031300000000 ] - [ -0.0001508700000000, 0.0000312800000000, 0.0001358100000000 ] - [ -0.0000609800000000, 0.0000450800000000, 0.0000343100000000 ] - [ 0.0001581400000000, 0.0006343800000000, -0.0007877800000000 ] - [ 0.0003643600000000, 0.0001554600000000, -0.0007585800000000 ] - [ 0.0000933600000000, 0.0000905300000000, 0.0000796800000000 ] - [ -0.0000677700000000, 0.0002151500000000, 0.0001795000000000 ] - [ -0.0000633600000000, -0.0001649900000000, 0.0001322600000000 ] - [ -0.0006889200000000, 0.0035465300000000, 0.0011856100000000 ] - [ 0.0001011200000000, 0.0001510900000000, -0.0000327300000000 ] - [ 0.0002661300000000, -0.0004385500000000, 0.0001370100000000 ] - [ 0.0000907500000000, 0.0000130200000000, -0.0001761500000000 ] - [ -0.0001123000000000, -0.0000230800000000, -0.0002173500000000 ] - [ -0.0001647300000000, -0.0001076400000000, -0.0002225100000000 ] - [ -0.0000202900000000, 0.0002526000000000, 0.0000112400000000 ] - [ -0.0001108500000000, -0.0000877500000000, 0.0000211000000000 ] - [ 0.0000093800000000, 0.0000708800000000, -0.0000492600000000 ] - [ -0.0000193000000000, -0.0000882100000000, -0.0000556300000000 ] - [ 0.0006204400000000, -0.0007293000000000, 0.0002464500000000 ] - [ -0.0000343300000000, -0.0000488300000000, -0.0000138700000000 ] - [ 0.0001507800000000, -0.0002068300000000, -0.0000181700000000 ] - [ -0.0005857900000000, -0.0007708000000000, -0.0005812100000000 ] - [ 0.0006862800000000, 0.0016293400000000, 0.0008907600000000 ] - [ 0.0001769000000000, -0.0000168700000000, -0.0000967400000000 ] - [ -0.0001407400000000, -0.0003857400000000, 0.0001659400000000 ] - [ -0.0007280400000000, 0.0013029600000000, 0.0004709900000000 ] - [ 0.0097852100000000, 0.0075271000000000, -0.0009344500000000 ] - [ -0.0000354300000000, -0.0001881000000000, -0.0000168600000000 ] - [ 0.0001195600000000, -0.0001532100000000, -0.0001819700000000 ] - [ -0.0028625200000000, 0.0073142700000000, -0.0082118700000000 ] - [ -0.0000216300000000, -0.0002048200000000, -0.0000241400000000 ] - [ 0.0000111300000000, 0.0003832000000000, 0.0001095100000000 ] - [ -0.0000412600000000, 0.0000632200000000, 0.0001743300000000 ] - [ -0.0001098000000000, -0.0002869700000000, -0.0001889900000000 ] - [ -0.0002506200000000, -0.0000533300000000, -0.0001040900000000 ] - [ -0.0002204100000000, -0.0000634200000000, 0.0004037200000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000922900000000, -0.0000270000000000, -0.0000560800000000 ] - [ 0.0000981000000000, 0.0000721000000000, -0.0000887900000000 ] - [ -0.0003982200000000, 0.0007692600000000, 0.0004548200000000 ] - [ -0.0001387500000000, -0.0000668200000000, 0.0000272400000000 ] - [ 0.0000221100000000, -0.0001018400000000, -0.0001150100000000 ] - [ 0.0000302900000000, 0.0001580300000000, 0.0000601100000000 ] - [ -0.0001204300000000, -0.0001134000000000, 0.0000119000000000 ] - [ -0.0001113100000000, 0.0001010800000000, 0.0000324300000000 ] - [ 0.0000413700000000, -0.0002968800000000, -0.0000787400000000 ] - [ 0.0000215200000000, 0.0002796600000000, -0.0000507400000000 ] - [ 0.0000242400000000, -0.0001209700000000, 0.0001492100000000 ] - [ 0.0000101300000000, 0.0000927700000000, 0.0001301300000000 ] - [ -0.0000750200000000, -0.0001184400000000, 0.0001384000000000 ] - [ -0.0000802300000000, 0.0000997400000000, 0.0001372800000000 ] - [ 0.0000249700000000, -0.0001788100000000, 0.0000978000000000 ] - [ 0.0000150900000000, 0.0001726800000000, 0.0000966000000000 ] - [ -0.0000133700000000, -0.0002204400000000, 0.0000686900000000 ] - [ -0.0001121700000000, 0.0001285200000000, 0.0000158900000000 ] - [ 0.0001749200000000, 0.0000771600000000, 0.0003235200000000 ] - [ 0.0000546400000000, -0.0000154900000000, 0.0002519700000000 ] - [ -0.0001070200000000, -0.0000470200000000, 0.0000360700000000 ] - [ 0.0000197100000000, 0.0001414000000000, 0.0000557700000000 ] - [ -0.0002071100000000, -0.0002689400000000, 0.0000465300000000 ] - [ -0.0002727500000000, 0.0002607000000000, -0.0000799300000000 ] - [ -0.0019727900000000, -0.0014924000000000, 0.0006337900000000 ] - [ -0.0000155500000000, 0.0000626000000000, -0.0001439000000000 ] - [ -0.0001014800000000, -0.0002361500000000, 0.0001350500000000 ] - [ -0.0001995700000000, 0.0001063500000000, -0.0000423600000000 ] - [ 0.0025958500000000, 0.0003591600000000, 0.0001789700000000 ] - [ 0.0000831300000000, -0.0000953100000000, -0.0001166300000000 ] - [ 0.0000830200000000, -0.0002435700000000, -0.0001437200000000 ] - [ 0.0008100300000000, -0.0002941500000000, 0.0004273500000000 ] - [ 0.0000164700000000, 0.0000754300000000, -0.0000703900000000 ] - [ 0.0037976500000000, -0.0028615100000000, 0.0023759900000000 ] - [ -0.0027360500000000, -0.0031790800000000, -0.0014356500000000 ] - [ 0.0000268500000000, -0.0002218800000000, 0.0000883900000000 ] - [ -0.0000272300000000, -0.0000753900000000, -0.0000930100000000 ] - [ -0.0013864800000000, -0.0006940800000000, -0.0018397000000000 ] - [ 0.0056443200000000, 0.0290315400000000, -0.0090000000000000 ] - [ -0.0000568800000000, 0.0000029800000000, -0.0000364100000000 ] - [ 0.0000068600000000, -0.0001333300000000, -0.0000231800000000 ] - [ 0.0000267000000000, 0.0000892800000000, -0.0000732800000000 ] - [ -0.0001490300000000, 0.0001976600000000, -0.0009586500000000 ] - [ 0.0002007800000000, -0.0000555500000000, -0.0000182600000000 ] - [ -0.0000262500000000, 0.0000770400000000, -0.0000581100000000 ] - [ -0.0006168600000000, -0.0010790500000000, 0.0001999900000000 ] - [ 0.0000803400000000, 0.0002511800000000, -0.0000587700000000 ] - [ 0.0000967200000000, -0.0003312700000000, -0.0000954800000000 ] - [ 0.0010585300000000, -0.0005292800000000, 0.0009549500000000 ] - [ 0.0001672400000000, 0.0000619300000000, -0.0000129300000000 ] - [ 0.0000663200000000, -0.0000691700000000, 0.0001102100000000 ] - [ 0.0001432900000000, 0.0000097300000000, 0.0001003000000000 ] - [ -0.0001116300000000, -0.0000158900000000, 0.0001226000000000 ] - [ -0.0001265500000000, 0.0000404900000000, 0.0000891500000000 ] - [ -0.0000490800000000, -0.0001490000000000, -0.0000248000000000 ] - [ -0.0002635700000000, -0.0005261900000000, 0.0007906500000000 ] - [ -0.0002272500000000, -0.0002177800000000, 0.0007450700000000 ] - [ 0.0000433900000000, -0.0000266800000000, -0.0000993400000000 ] - [ -0.0000378800000000, 0.0000912000000000, 0.0000524700000000 ] - [ -0.0000421900000000, -0.0001415800000000, 0.0000999500000000 ] - [ 0.0008903700000000, -0.0040635100000000, -0.0015152700000000 ] - [ 0.0000678900000000, 0.0001564800000000, -0.0001796300000000 ] - [ -0.0003060600000000, 0.0002405700000000, -0.0002817300000000 ] - [ -0.0001321800000000, 0.0001892400000000, 0.0000313100000000 ] - [ -0.0002185200000000, 0.0002421400000000, -0.0001620200000000 ] - [ -0.0001659600000000, -0.0001093400000000, -0.0001567200000000 ] - [ -0.0001618000000000, -0.0000941700000000, -0.0000437700000000 ] - [ -0.0000753100000000, -0.0000700000000000, -0.0000545900000000 ] - [ 0.0000653200000000, 0.0000710300000000, -0.0000750300000000 ] - [ 0.0000936900000000, -0.0000562500000000, -0.0000690400000000 ] - [ -0.0005769100000000, 0.0007618300000000, -0.0003050200000000 ] - [ 0.0000602300000000, 0.0000142200000000, -0.0000547500000000 ] - [ 0.0000427500000000, 0.0001756100000000, 0.0000484400000000 ] - [ 0.0007911600000000, 0.0007984600000000, 0.0006117700000000 ] - [ -0.0003804400000000, -0.0015724800000000, -0.0010747100000000 ] - [ 0.0001398600000000, -0.0000470000000000, -0.0000970800000000 ] - [ -0.0000529500000000, 0.0001338400000000, -0.0000634400000000 ] - [ 0.0005338300000000, -0.0010348800000000, -0.0003751700000000 ] - [ -0.0096288800000000, -0.0073939900000000, 0.0009140300000000 ] - [ 0.0000494000000000, 0.0000289300000000, 0.0000837000000000 ] - [ 0.0000388700000000, 0.0000524700000000, 0.0000781500000000 ] - [ 0.0029819000000000, -0.0071511400000000, 0.0081364300000000 ] - [ -0.0001862800000000, 0.0002697000000000, 0.0000728800000000 ] - [ -0.0002217400000000, -0.0004494700000000, -0.0000554700000000 ] - [ -0.0000215700000000, -0.0002550600000000, -0.0000936000000000 ] - [ 0.0000494500000000, 0.0004809600000000, 0.0002731700000000 ] - [ 0.0002795000000000, 0.0000200500000000, 0.0002472100000000 ] - [ 0.0002502000000000, 0.0000964300000000, -0.0002654900000000 ]- atom: 39 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000260400000000, 0.0000045500000000, -0.0001192200000000 ] - [ 0.0000640300000000, 0.0000032300000000, -0.0000502100000000 ] - [ 0.0002980700000000, -0.0003369300000000, 0.0002934500000000 ] - [ -0.0001371100000000, -0.0001063300000000, -0.0000002800000000 ] - [ 0.0000984400000000, -0.0002323200000000, 0.0001005400000000 ] - [ 0.0000544200000000, 0.0001381200000000, -0.0000522400000000 ] - [ -0.0000568400000000, -0.0000681800000000, -0.0000348500000000 ] - [ -0.0000791200000000, 0.0001403400000000, 0.0001313000000000 ] - [ 0.0001710800000000, -0.0001891500000000, -0.0000069000000000 ] - [ 0.0000977100000000, 0.0002592000000000, -0.0000727200000000 ] - [ 0.0000913200000000, -0.0001935300000000, 0.0001695300000000 ] - [ 0.0000500700000000, 0.0001524000000000, 0.0001073100000000 ] - [ -0.0000126800000000, -0.0000892600000000, 0.0001543300000000 ] - [ 0.0000328300000000, 0.0000702400000000, 0.0002107600000000 ] - [ 0.0001569200000000, -0.0001636900000000, 0.0000957500000000 ] - [ 0.0000701600000000, 0.0001713200000000, 0.0000776800000000 ] - [ -0.0000175800000000, -0.0001964400000000, 0.0000682700000000 ] - [ 0.0003259400000000, 0.0002479200000000, 0.0002676600000000 ] - [ 0.0001636600000000, -0.0000496800000000, 0.0000654200000000 ] - [ 0.0000649300000000, -0.0000132500000000, 0.0002679400000000 ] - [ -0.0000666300000000, 0.0000647600000000, 0.0001374400000000 ] - [ -0.0001157300000000, -0.0000216000000000, -0.0000598900000000 ] - [ -0.0002271000000000, -0.0002197200000000, 0.0000360200000000 ] - [ -0.0001064400000000, 0.0003120500000000, 0.0000028800000000 ] - [ -0.0007499200000000, 0.0004860000000000, -0.0014235900000000 ] - [ -0.0000186300000000, 0.0000941000000000, -0.0000784200000000 ] - [ -0.0001052700000000, -0.0001073800000000, -0.0000055000000000 ] - [ -0.0000426700000000, 0.0001800100000000, -0.0000434100000000 ] - [ -0.0038322600000000, 0.0009826800000000, 0.0003533000000000 ] - [ 0.0000995800000000, -0.0001531700000000, -0.0000162800000000 ] - [ -0.0001148200000000, 0.0000156300000000, 0.0000936000000000 ] - [ 0.0006812400000000, -0.0020318900000000, 0.0056203300000000 ] - [ -0.0000038500000000, 0.0000480000000000, 0.0000386200000000 ] - [ 0.0008090400000000, -0.0023327300000000, -0.0004649200000000 ] - [ -0.0000862200000000, -0.0004939100000000, 0.0001739800000000 ] - [ 0.0000453000000000, -0.0002159100000000, 0.0001911500000000 ] - [ -0.0000702400000000, -0.0000569200000000, -0.0000746600000000 ] - [ 0.0007762300000000, 0.0029732400000000, 0.0037421900000000 ] - [ -0.0193658000000000, 0.0092679800000000, -0.0578925400000000 ] - [ -0.0000733800000000, 0.0000245300000000, 0.0000081700000000 ] - [ -0.0000483100000000, -0.0000274300000000, -0.0000470500000000 ] - [ -0.0001840900000000, -0.0000176700000000, 0.0002834900000000 ] - [ 0.0015721700000000, 0.0000009100000000, 0.0027122700000000 ] - [ 0.0001680900000000, -0.0000227900000000, -0.0000632500000000 ] - [ -0.0000201600000000, 0.0001111600000000, 0.0001636900000000 ] - [ 0.0002363700000000, 0.0001994900000000, -0.0003445200000000 ] - [ 0.0000236100000000, 0.0001008000000000, 0.0000604000000000 ] - [ 0.0000675300000000, -0.0002828700000000, -0.0001134200000000 ] - [ 0.0013674600000000, -0.0006257700000000, 0.0012790400000000 ] - [ 0.0001128500000000, 0.0001104500000000, -0.0000453000000000 ] - [ 0.0002265100000000, 0.0000123100000000, -0.0000240900000000 ] - [ 0.0001664200000000, -0.0000163400000000, 0.0000996000000000 ] - [ -0.0001126000000000, -0.0001212900000000, 0.0000585600000000 ] - [ -0.0000362200000000, -0.0000194800000000, 0.0002658200000000 ] - [ -0.0000763200000000, 0.0000751400000000, 0.0000638100000000 ] - [ -0.0007983200000000, -0.0010252700000000, 0.0010472400000000 ] - [ -0.0009117100000000, -0.0005716100000000, 0.0012721500000000 ] - [ 0.0000881600000000, 0.0001360400000000, 0.0000282200000000 ] - [ -0.0000406000000000, 0.0001726800000000, 0.0000874100000000 ] - [ -0.0000825600000000, -0.0001882400000000, 0.0002164300000000 ] - [ -0.0001262600000000, 0.0003685900000000, 0.0007066000000000 ] - [ 0.0002890400000000, 0.0004450500000000, -0.0002627700000000 ] - [ -0.0000145800000000, 0.0001897400000000, -0.0000375700000000 ] - [ 0.0001496500000000, -0.0000782500000000, -0.0003642600000000 ] - [ -0.0002475600000000, 0.0000996700000000, -0.0001797200000000 ] - [ -0.0001608200000000, -0.0000204200000000, -0.0002670300000000 ] - [ -0.0005842200000000, 0.0000454500000000, -0.0000244000000000 ] - [ -0.0001109700000000, -0.0000860200000000, -0.0000590700000000 ] - [ -0.0000549500000000, 0.0000841000000000, -0.0000546300000000 ] - [ -0.0002043200000000, -0.0001946700000000, -0.0001681000000000 ] - [ -0.0019189600000000, -0.0004389700000000, -0.0010684900000000 ] - [ -0.0000149700000000, -0.0000383400000000, -0.0000716600000000 ] - [ 0.0001729300000000, -0.0001146600000000, 0.0001598500000000 ] - [ 0.0011240000000000, 0.0001795100000000, -0.0004819600000000 ] - [ 0.0010774500000000, 0.0005323600000000, 0.0009184700000000 ] - [ 0.0001184100000000, 0.0000504000000000, -0.0002952000000000 ] - [ 0.0001252600000000, 0.0002917400000000, 0.0000301200000000 ] - [ 0.0004420900000000, 0.0008533800000000, 0.0006038500000000 ] - [ -0.0006694400000000, -0.0017187600000000, 0.0091007400000000 ] - [ 0.0000168600000000, -0.0000153000000000, -0.0001387800000000 ] - [ 0.0001461400000000, -0.0000634500000000, -0.0001779900000000 ] - [ 0.0206845800000000, -0.0068275500000000, 0.0339003000000000 ] - [ 0.0000469900000000, 0.0000839100000000, 0.0001157300000000 ] - [ -0.0003263500000000, 0.0005330600000000, -0.0008473700000000 ] - [ 0.0001889800000000, -0.0002429800000000, -0.0002789900000000 ] - [ -0.0000902700000000, -0.0000934500000000, 0.0000732700000000 ] - [ -0.0007240000000000, -0.0003739700000000, -0.0002561000000000 ] - [ 0.0000522700000000, 0.0001853000000000, 0.0004126800000000 ]- atom: 39 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0001147200000000, -0.0000243100000000, -0.0000176800000000 ] - [ 0.0000761600000000, 0.0000163200000000, -0.0000861200000000 ] - [ -0.0005516300000000, 0.0005063900000000, -0.0002364700000000 ] - [ -0.0001208000000000, -0.0000656800000000, 0.0000695500000000 ] - [ 0.0000238900000000, -0.0001063900000000, -0.0001241700000000 ] - [ 0.0000673600000000, 0.0001993800000000, 0.0000242100000000 ] - [ -0.0001207000000000, -0.0000994500000000, 0.0000473500000000 ] - [ -0.0000994000000000, 0.0000263800000000, -0.0001200200000000 ] - [ -0.0000329100000000, -0.0003879100000000, -0.0001139000000000 ] - [ 0.0000415300000000, 0.0003159400000000, -0.0000485200000000 ] - [ -0.0000422600000000, -0.0000765300000000, 0.0000786700000000 ] - [ -0.0000003300000000, 0.0001181500000000, 0.0001411100000000 ] - [ -0.0000955300000000, -0.0000828800000000, 0.0001479900000000 ] - [ -0.0001420100000000, 0.0001020900000000, 0.0000910800000000 ] - [ -0.0000840200000000, -0.0001952900000000, 0.0000761500000000 ] - [ 0.0000035600000000, 0.0001876600000000, 0.0000932500000000 ] - [ -0.0000073100000000, -0.0002098300000000, 0.0000691800000000 ] - [ -0.0003519500000000, 0.0001583200000000, -0.0001295400000000 ] - [ -0.0000292800000000, 0.0000451300000000, 0.0004197100000000 ] - [ 0.0000674300000000, 0.0000180300000000, 0.0002171400000000 ] - [ -0.0001033000000000, -0.0000399300000000, 0.0000082900000000 ] - [ -0.0000554300000000, -0.0000038100000000, 0.0002050600000000 ] - [ -0.0001690400000000, -0.0001849200000000, 0.0000005600000000 ] - [ -0.0002900800000000, 0.0000942900000000, 0.0000337000000000 ] - [ 0.0006820200000000, -0.0006605000000000, 0.0011628800000000 ] - [ -0.0000111500000000, 0.0000649500000000, -0.0001912600000000 ] - [ -0.0000598100000000, -0.0001224100000000, 0.0000703900000000 ] - [ -0.0001231100000000, 0.0000490400000000, 0.0001033300000000 ] - [ 0.0039801300000000, -0.0009033000000000, -0.0006622900000000 ] - [ 0.0000297100000000, 0.0000632000000000, -0.0002957300000000 ] - [ 0.0000527700000000, -0.0001857300000000, -0.0000566500000000 ] - [ -0.0007238500000000, 0.0021949600000000, -0.0055298200000000 ] - [ -0.0000048100000000, 0.0001670800000000, -0.0001619200000000 ] - [ -0.0008291900000000, 0.0021003100000000, 0.0003283400000000 ] - [ 0.0001674700000000, 0.0007366500000000, -0.0000475000000000 ] - [ 0.0000503500000000, -0.0000490100000000, -0.0000640200000000 ] - [ 0.0000004100000000, 0.0000491400000000, -0.0001493200000000 ] - [ -0.0008361100000000, -0.0029020300000000, -0.0038682800000000 ] - [ 0.0182665000000000, -0.0088047500000000, 0.0562577000000000 ] - [ -0.0000634000000000, 0.0000372100000000, -0.0000759100000000 ] - [ -0.0000280500000000, -0.0000486800000000, 0.0000135100000000 ] - [ 0.0001055300000000, 0.0000937700000000, -0.0003165000000000 ] - [ -0.0010894600000000, -0.0000872600000000, -0.0027745500000000 ] - [ 0.0003368300000000, 0.0000941800000000, 0.0000681100000000 ] - [ 0.0000259700000000, -0.0000142500000000, -0.0003217900000000 ] - [ -0.0002270000000000, -0.0002915400000000, 0.0001865500000000 ] - [ 0.0000650600000000, 0.0003151400000000, -0.0001892900000000 ] - [ 0.0000220500000000, -0.0001352700000000, -0.0000159800000000 ] - [ -0.0011042800000000, 0.0004359500000000, -0.0013703700000000 ] - [ 0.0001721100000000, 0.0000940900000000, -0.0000314500000000 ] - [ 0.0000883100000000, -0.0000349000000000, 0.0001841300000000 ] - [ 0.0001495200000000, 0.0000394000000000, 0.0000606000000000 ] - [ -0.0001614500000000, 0.0000521400000000, 0.0001657700000000 ] - [ -0.0002378800000000, 0.0000879400000000, -0.0000419500000000 ] - [ -0.0000367100000000, -0.0001796900000000, -0.0000530200000000 ] - [ 0.0006975400000000, 0.0011509100000000, -0.0010544800000000 ] - [ 0.0010351400000000, 0.0004941900000000, -0.0012665300000000 ] - [ 0.0000510100000000, -0.0000695900000000, -0.0000438200000000 ] - [ -0.0000630100000000, 0.0001323100000000, 0.0001469200000000 ] - [ -0.0000215400000000, -0.0001169900000000, 0.0000173200000000 ] - [ 0.0003053100000000, -0.0007386700000000, -0.0009380600000000 ] - [ -0.0001184100000000, -0.0001331100000000, 0.0000500800000000 ] - [ -0.0000240500000000, -0.0003891700000000, -0.0001113300000000 ] - [ -0.0001869000000000, 0.0002780100000000, 0.0002180600000000 ] - [ -0.0000948800000000, 0.0001177300000000, -0.0002022000000000 ] - [ -0.0001796100000000, -0.0001963400000000, -0.0001136000000000 ] - [ 0.0003941200000000, 0.0001152900000000, -0.0000085600000000 ] - [ -0.0000805100000000, -0.0000722100000000, 0.0000303500000000 ] - [ 0.0001228400000000, 0.0000592000000000, -0.0000692200000000 ] - [ 0.0002706400000000, 0.0000487900000000, 0.0000433000000000 ] - [ 0.0019542400000000, 0.0004642600000000, 0.0010053000000000 ] - [ 0.0000449500000000, 0.0000017600000000, 0.0000012700000000 ] - [ 0.0000246800000000, 0.0000868200000000, -0.0001291000000000 ] - [ -0.0008933500000000, -0.0001527200000000, 0.0005257500000000 ] - [ -0.0007577100000000, -0.0004574200000000, -0.0011185800000000 ] - [ 0.0002036600000000, -0.0001069900000000, 0.0001022900000000 ] - [ -0.0003198900000000, -0.0005550400000000, 0.0000733800000000 ] - [ -0.0006292900000000, -0.0005883700000000, -0.0004897600000000 ] - [ 0.0006778500000000, 0.0018940600000000, -0.0090215900000000 ] - [ -0.0000041500000000, -0.0001470800000000, 0.0002022600000000 ] - [ 0.0000117000000000, -0.0000339800000000, 0.0000765300000000 ] - [ -0.0195643100000000, 0.0064415900000000, -0.0324866800000000 ] - [ -0.0002459500000000, -0.0000189300000000, -0.0000597300000000 ] - [ 0.0001282800000000, -0.0005998800000000, 0.0008996700000000 ] - [ -0.0002532700000000, 0.0000480100000000, 0.0003585400000000 ] - [ 0.0000266700000000, 0.0002866000000000, 0.0000017800000000 ] - [ 0.0007577700000000, 0.0003393800000000, 0.0003961500000000 ] - [ -0.0000267000000000, -0.0001494200000000, -0.0002660300000000 ]- atom: 41 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000775700000000, -0.0000069900000000, -0.0000636900000000 ] - [ 0.0008254900000000, -0.0002330900000000, -0.0005959200000000 ] - [ -0.0001762300000000, 0.0001320900000000, 0.0000007300000000 ] - [ -0.0002216000000000, -0.0000646400000000, 0.0000877700000000 ] - [ 0.0000498700000000, -0.0002236000000000, 0.0000838700000000 ] - [ -0.0000084500000000, 0.0000918400000000, -0.0000740600000000 ] - [ 0.0049373400000000, -0.0030678900000000, 0.0040064900000000 ] - [ -0.0000779300000000, 0.0000766300000000, -0.0000262300000000 ] - [ 0.0000489000000000, -0.0003668800000000, -0.0000321100000000 ] - [ -0.0000074600000000, 0.0002256200000000, -0.0001083400000000 ] - [ 0.0000065200000000, 0.0000190300000000, 0.0002073500000000 ] - [ 0.0000740200000000, 0.0002342800000000, 0.0001425600000000 ] - [ 0.0000000800000000, 0.0000164300000000, 0.0001439100000000 ] - [ 0.0000165100000000, 0.0001036300000000, 0.0001755500000000 ] - [ 0.0000950300000000, -0.0001635500000000, 0.0000854900000000 ] - [ 0.0006777600000000, 0.0001275600000000, -0.0001901300000000 ] - [ 0.0004183200000000, -0.0002288300000000, 0.0001823200000000 ] - [ 0.0001047100000000, 0.0002165600000000, 0.0000933200000000 ] - [ 0.0002391400000000, -0.0000247700000000, 0.0001759700000000 ] - [ 0.0002359200000000, 0.0000191900000000, 0.0001754800000000 ] - [ 0.0000657100000000, 0.0001421600000000, 0.0000473500000000 ] - [ -0.0000264600000000, -0.0000680200000000, 0.0001105900000000 ] - [ -0.0000534500000000, -0.0002932400000000, -0.0000371100000000 ] - [ -0.0000994300000000, 0.0001977500000000, 0.0000181500000000 ] - [ 0.0000795900000000, -0.0000939100000000, -0.0001276400000000 ] - [ 0.0001051400000000, 0.0000617500000000, -0.0001365100000000 ] - [ 0.0000218000000000, 0.0000242900000000, -0.0002984700000000 ] - [ -0.0000451900000000, 0.0000930300000000, 0.0001129000000000 ] - [ 0.0000822900000000, -0.0000047400000000, -0.0002202500000000 ] - [ 0.0000650500000000, -0.0000133700000000, -0.0001676200000000 ] - [ 0.0012995500000000, 0.0005223200000000, -0.0018721400000000 ] - [ -0.0000549000000000, 0.0000774500000000, 0.0000524900000000 ] - [ -0.0000525900000000, 0.0002215200000000, -0.0001659600000000 ] - [ 0.0000369600000000, 0.0000804000000000, 0.0000108400000000 ] - [ 0.0005637500000000, -0.0007809000000000, 0.0003205500000000 ] - [ 0.0000618400000000, -0.0001932200000000, 0.0000714400000000 ] - [ 0.0006319200000000, 0.0002073100000000, -0.0013352600000000 ] - [ -0.0001422300000000, -0.0000394200000000, -0.0000488000000000 ] - [ -0.0001525700000000, -0.0000774200000000, -0.0000454100000000 ] - [ -0.0002340400000000, 0.0000969100000000, -0.0001819800000000 ] - [ -0.0733772300000000, 0.0056542900000000, 0.0201788700000000 ] - [ -0.0001305700000000, 0.0000280300000000, -0.0000102000000000 ] - [ 0.0001433700000000, -0.0000076500000000, -0.0000453700000000 ] - [ -0.0006408000000000, -0.0002639700000000, 0.0008281700000000 ] - [ -0.0000457700000000, 0.0000931300000000, -0.0000713400000000 ] - [ -0.0005517100000000, -0.0016594600000000, -0.0005824100000000 ] - [ 0.0000193400000000, 0.0002988800000000, -0.0001230700000000 ] - [ 0.0006016900000000, 0.0004659000000000, 0.0005370300000000 ] - [ 0.0000511800000000, -0.0000531700000000, -0.0000224000000000 ] - [ -0.0010246700000000, 0.0025790300000000, -0.0044967400000000 ] - [ 0.0003134800000000, 0.0001379100000000, 0.0001052300000000 ] - [ 0.0002619000000000, 0.0000372200000000, -0.0000316100000000 ] - [ 0.0001162200000000, -0.0001068000000000, 0.0002567800000000 ] - [ -0.0000644600000000, 0.0000866000000000, 0.0001292400000000 ] - [ -0.0001682700000000, -0.0002811100000000, 0.0012070000000000 ] - [ -0.0001156200000000, -0.0000783900000000, -0.0000799300000000 ] - [ -0.0000610300000000, -0.0001428200000000, -0.0000256600000000 ] - [ -0.0004012600000000, -0.0000073200000000, 0.0005760400000000 ] - [ 0.0023337900000000, 0.0019927500000000, 0.0014797000000000 ] - [ -0.0000386600000000, -0.0001050000000000, 0.0000486900000000 ] - [ 0.0003253000000000, -0.0005822200000000, -0.0000160100000000 ] - [ 0.0002070300000000, 0.0000837900000000, -0.0000923100000000 ] - [ 0.0010758500000000, 0.0025713400000000, 0.0011800100000000 ] - [ 0.0004268600000000, -0.0000682800000000, -0.0000703700000000 ] - [ 0.0017605800000000, 0.0008178600000000, -0.0007904800000000 ] - [ -0.0002135100000000, -0.0002287300000000, -0.0002109100000000 ] - [ -0.0001064100000000, 0.0000596400000000, -0.0001071600000000 ] - [ -0.0018556300000000, -0.0002703800000000, 0.0009053200000000 ] - [ -0.0014285800000000, 0.0000578700000000, -0.0001719500000000 ] - [ -0.0001809700000000, -0.0000038700000000, -0.0000897600000000 ] - [ -0.0003356500000000, -0.0000023300000000, 0.0000434600000000 ] - [ -0.0004712000000000, 0.0000630800000000, -0.0001401800000000 ] - [ -0.0009188500000000, -0.0000222900000000, 0.0002533600000000 ] - [ 0.0000174600000000, 0.0000229700000000, -0.0000206900000000 ] - [ -0.0001814300000000, 0.0000453700000000, -0.0000012500000000 ] - [ 0.0000617800000000, -0.0001847900000000, -0.0000810100000000 ] - [ -0.0006139700000000, 0.0001627300000000, 0.0005163500000000 ] - [ -0.0003689000000000, 0.0004191200000000, -0.0003444000000000 ] - [ -0.0000520000000000, 0.0005436400000000, 0.0002916900000000 ] - [ 0.0000212100000000, -0.0003373000000000, -0.0002175000000000 ] - [ 0.0004664600000000, -0.0005064900000000, 0.0008367000000000 ] - [ 0.0004367500000000, -0.0001295000000000, -0.0002003500000000 ] - [ 0.0241238900000000, 0.0020179500000000, -0.0191959000000000 ] - [ 0.0001726500000000, -0.0000720600000000, 0.0000790100000000 ] - [ 0.0000489300000000, -0.0001609500000000, 0.0001296600000000 ] - [ 0.0388247400000000, -0.0098930600000000, -0.0021252200000000 ] - [ 0.0002176800000000, -0.0000806500000000, 0.0000004600000000 ] - [ 0.0018507300000000, -0.0000337500000000, -0.0007960200000000 ]- atom: 41 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000626500000000, -0.0000130000000000, -0.0000726200000000 ] - [ -0.0007026400000000, 0.0002553500000000, 0.0004854600000000 ] - [ -0.0000821100000000, 0.0000406600000000, 0.0000686200000000 ] - [ -0.0000368200000000, -0.0001074800000000, -0.0000179600000000 ] - [ 0.0000716800000000, -0.0001138200000000, -0.0001095100000000 ] - [ 0.0001313900000000, 0.0002462300000000, 0.0000456100000000 ] - [ -0.0051992200000000, 0.0029328600000000, -0.0040446200000000 ] - [ -0.0001006300000000, 0.0000899100000000, 0.0000370200000000 ] - [ 0.0000902200000000, -0.0002099800000000, -0.0000880200000000 ] - [ 0.0001500000000000, 0.0003488000000000, -0.0000130300000000 ] - [ 0.0000428200000000, -0.0002880100000000, 0.0000423000000000 ] - [ -0.0000217900000000, 0.0000379000000000, 0.0001017600000000 ] - [ -0.0001001200000000, -0.0001906800000000, 0.0001583800000000 ] - [ -0.0001263900000000, 0.0000691100000000, 0.0001262500000000 ] - [ -0.0000220700000000, -0.0001950600000000, 0.0000863700000000 ] - [ -0.0006087900000000, 0.0002313800000000, 0.0003621500000000 ] - [ -0.0004414000000000, -0.0001776100000000, -0.0000454100000000 ] - [ -0.0001286600000000, 0.0001895200000000, 0.0000448500000000 ] - [ -0.0001048500000000, 0.0000196100000000, 0.0003087300000000 ] - [ -0.0001022600000000, -0.0000137600000000, 0.0003089900000000 ] - [ -0.0002342200000000, -0.0001149600000000, 0.0000975900000000 ] - [ -0.0001433300000000, 0.0000419300000000, 0.0000358200000000 ] - [ -0.0003428500000000, -0.0001130400000000, 0.0000737800000000 ] - [ -0.0002962400000000, 0.0002082800000000, 0.0000188900000000 ] - [ -0.0001090200000000, -0.0000649200000000, -0.0001429800000000 ] - [ -0.0001342500000000, 0.0000971800000000, -0.0001335300000000 ] - [ -0.0001858400000000, -0.0002520600000000, 0.0003568500000000 ] - [ -0.0001201200000000, 0.0001359200000000, -0.0000482200000000 ] - [ 0.0000459900000000, 0.0000937700000000, -0.0000925700000000 ] - [ 0.0000634400000000, -0.0000757700000000, -0.0001453000000000 ] - [ -0.0013432500000000, -0.0006771600000000, 0.0018764600000000 ] - [ -0.0000089700000000, 0.0000913700000000, -0.0000145600000000 ] - [ 0.0000427100000000, -0.0000042700000000, 0.0000415500000000 ] - [ -0.0000461700000000, -0.0002934300000000, -0.0001326300000000 ] - [ -0.0004664700000000, 0.0010402300000000, -0.0001912300000000 ] - [ 0.0000326700000000, -0.0000751600000000, 0.0000575500000000 ] - [ -0.0007064600000000, -0.0002150700000000, 0.0011131900000000 ] - [ 0.0000697100000000, 0.0000472800000000, -0.0001743500000000 ] - [ 0.0000145500000000, 0.0000152000000000, -0.0000204900000000 ] - [ 0.0000946600000000, -0.0000340500000000, 0.0001128300000000 ] - [ 0.0753125200000000, -0.0064594900000000, -0.0203704400000000 ] - [ 0.0000529300000000, 0.0000480200000000, -0.0000225600000000 ] - [ 0.0003622700000000, -0.0000638900000000, 0.0000511700000000 ] - [ 0.0011491900000000, 0.0003244500000000, -0.0008524800000000 ] - [ 0.0000518100000000, 0.0000033200000000, -0.0000842500000000 ] - [ 0.0005714000000000, 0.0015721700000000, 0.0004251300000000 ] - [ 0.0000689900000000, 0.0001163000000000, -0.0000048100000000 ] - [ -0.0005041300000000, -0.0008676600000000, -0.0006808100000000 ] - [ 0.0002345500000000, -0.0001503100000000, -0.0000510900000000 ] - [ 0.0013277100000000, -0.0023966900000000, 0.0044450200000000 ] - [ 0.0000033900000000, -0.0001569400000000, 0.0000564700000000 ] - [ 0.0000564500000000, -0.0000146700000000, 0.0001894500000000 ] - [ -0.0003890400000000, 0.0000373300000000, -0.0000319100000000 ] - [ -0.0002096000000000, -0.0000172900000000, 0.0000940200000000 ] - [ 0.0000586500000000, 0.0001712200000000, -0.0011865900000000 ] - [ 0.0000001900000000, 0.0001830700000000, 0.0000915300000000 ] - [ 0.0001987200000000, 0.0000746200000000, 0.0000090600000000 ] - [ 0.0005484700000000, 0.0000701200000000, -0.0005968000000000 ] - [ -0.0024698400000000, -0.0017131600000000, -0.0012795600000000 ] - [ -0.0000653400000000, -0.0002005800000000, 0.0001855200000000 ] - [ -0.0001521800000000, 0.0002693400000000, -0.0001965000000000 ] - [ -0.0000355600000000, 0.0002279100000000, -0.0001187100000000 ] - [ -0.0010870000000000, -0.0027724100000000, -0.0013301400000000 ] - [ -0.0004644800000000, 0.0002724400000000, -0.0000757500000000 ] - [ -0.0021522200000000, -0.0006342300000000, 0.0004253200000000 ] - [ -0.0001235300000000, 0.0000159600000000, -0.0001701600000000 ] - [ -0.0000856300000000, 0.0000975100000000, 0.0000763500000000 ] - [ 0.0016769400000000, 0.0001208700000000, -0.0009433100000000 ] - [ 0.0014926400000000, 0.0000954000000000, 0.0000553200000000 ] - [ 0.0002477800000000, -0.0001437100000000, -0.0000343500000000 ] - [ 0.0003636300000000, 0.0000384100000000, -0.0001103800000000 ] - [ 0.0004971100000000, -0.0000992200000000, 0.0000712600000000 ] - [ 0.0011067400000000, -0.0000067600000000, -0.0002153700000000 ] - [ 0.0001803200000000, 0.0000055400000000, 0.0000531300000000 ] - [ 0.0004986200000000, 0.0000129200000000, -0.0001930900000000 ] - [ 0.0002559900000000, 0.0001231300000000, -0.0001138100000000 ] - [ 0.0004214900000000, -0.0004184300000000, -0.0004078700000000 ] - [ 0.0001722500000000, -0.0001564100000000, 0.0004449900000000 ] - [ 0.0000619500000000, -0.0003792600000000, -0.0002260400000000 ] - [ -0.0000083200000000, 0.0001731300000000, 0.0002772400000000 ] - [ -0.0003009800000000, 0.0004099300000000, -0.0009320700000000 ] - [ -0.0002745900000000, 0.0002237000000000, 0.0000954000000000 ] - [ -0.0245221800000000, -0.0019983500000000, 0.0196761100000000 ] - [ -0.0003731400000000, 0.0000079200000000, -0.0000277500000000 ] - [ -0.0001096500000000, -0.0000333100000000, -0.0000514700000000 ] - [ -0.0406110800000000, 0.0108609000000000, 0.0020097400000000 ] - [ -0.0001927000000000, 0.0000476900000000, 0.0001428400000000 ] - [ -0.0018390700000000, 0.0000762200000000, 0.0009590000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000641600000000, -0.0000300700000000, -0.0000541700000000 ] - [ -0.0001792700000000, -0.0005305900000000, -0.0004504300000000 ] - [ -0.0001071800000000, 0.0000237700000000, 0.0000564000000000 ] - [ -0.0001159400000000, -0.0000698400000000, 0.0000267100000000 ] - [ 0.0000399800000000, -0.0000428600000000, -0.0001273800000000 ] - [ -0.0000466300000000, 0.0001689500000000, 0.0000572100000000 ] - [ -0.0022237600000000, 0.0014455600000000, -0.0008073700000000 ] - [ -0.0000867300000000, 0.0001069700000000, 0.0000103900000000 ] - [ 0.0000606200000000, -0.0002173600000000, -0.0000930800000000 ] - [ 0.0000127600000000, 0.0002229600000000, 0.0000391600000000 ] - [ -0.0000062600000000, -0.0000509500000000, 0.0001646000000000 ] - [ 0.0000811200000000, 0.0000148600000000, 0.0001631700000000 ] - [ 0.0000399700000000, -0.0001846600000000, 0.0000423500000000 ] - [ -0.0000634200000000, 0.0001096500000000, 0.0001394800000000 ] - [ 0.0000360900000000, -0.0001601500000000, 0.0000810900000000 ] - [ -0.0000565100000000, 0.0002571300000000, 0.0001359900000000 ] - [ 0.0000110700000000, -0.0002117100000000, 0.0000608300000000 ] - [ -0.0000346700000000, 0.0002092500000000, 0.0000561100000000 ] - [ 0.0000460500000000, 0.0000309900000000, 0.0002576400000000 ] - [ 0.0000441200000000, -0.0000134500000000, 0.0002565100000000 ] - [ -0.0000809100000000, -0.0000165400000000, 0.0000334900000000 ] - [ -0.0000977300000000, 0.0000350800000000, 0.0000672200000000 ] - [ -0.0002233900000000, -0.0001966300000000, 0.0000373200000000 ] - [ -0.0002456300000000, 0.0002163700000000, 0.0000104300000000 ] - [ -0.0000444800000000, -0.0000521100000000, -0.0001429200000000 ] - [ -0.0000419800000000, 0.0000625800000000, -0.0001662600000000 ] - [ -0.0001187200000000, -0.0001861400000000, 0.0001396400000000 ] - [ -0.0001103400000000, 0.0001232100000000, -0.0000348300000000 ] - [ 0.0000836200000000, 0.0001461300000000, -0.0000785900000000 ] - [ 0.0000865800000000, -0.0000699800000000, -0.0001311600000000 ] - [ 0.0010170500000000, 0.0003869700000000, -0.0011044600000000 ] - [ -0.0000024000000000, 0.0001301800000000, -0.0000043300000000 ] - [ 0.0000365500000000, 0.0000648900000000, -0.0000700800000000 ] - [ 0.0000480900000000, 0.0000211400000000, -0.0000251700000000 ] - [ -0.0004593300000000, 0.0009664300000000, -0.0001782300000000 ] - [ 0.0000203000000000, -0.0001604000000000, 0.0000356700000000 ] - [ -0.0003657900000000, -0.0001991600000000, 0.0008080500000000 ] - [ -0.0000722600000000, 0.0000922600000000, -0.0000968500000000 ] - [ -0.0000171700000000, 0.0000658300000000, -0.0000205400000000 ] - [ -0.0000047400000000, -0.0000223400000000, 0.0000232900000000 ] - [ 0.0061319600000000, -0.0277903800000000, 0.0099887600000000 ] - [ -0.0000271000000000, 0.0000645500000000, -0.0000134100000000 ] - [ 0.0002586600000000, 0.0000377300000000, -0.0000221600000000 ] - [ -0.0010785100000000, 0.0007161200000000, 0.0017467500000000 ] - [ -0.0000229700000000, 0.0001500400000000, -0.0001117700000000 ] - [ -0.0026814800000000, 0.0032404400000000, 0.0014696100000000 ] - [ 0.0000578900000000, 0.0002378100000000, -0.0000579300000000 ] - [ 0.0036970900000000, 0.0020774600000000, -0.0021671900000000 ] - [ 0.0002367900000000, 0.0000167700000000, 0.0000980300000000 ] - [ 0.0010338000000000, 0.0004592900000000, -0.0005616600000000 ] - [ 0.0001752000000000, -0.0000374700000000, 0.0000782800000000 ] - [ 0.0001700000000000, 0.0000110900000000, 0.0001094200000000 ] - [ -0.0002348200000000, 0.0000143800000000, 0.0000844400000000 ] - [ -0.0001536100000000, 0.0000361700000000, 0.0000957800000000 ] - [ -0.0004016000000000, 0.0001504300000000, -0.0008313200000000 ] - [ -0.0000787600000000, 0.0001151000000000, 0.0000828200000000 ] - [ 0.0000710000000000, 0.0000466600000000, 0.0000064400000000 ] - [ -0.0002034000000000, 0.0006922000000000, -0.0008850800000000 ] - [ 0.0018665100000000, -0.0001570300000000, 0.0000935700000000 ] - [ -0.0000528400000000, -0.0001230100000000, 0.0000940800000000 ] - [ -0.0001915100000000, -0.0004780400000000, 0.0000898200000000 ] - [ -0.0000279800000000, 0.0000734200000000, -0.0002108500000000 ] - [ 0.0004468400000000, 0.0025957000000000, 0.0006173400000000 ] - [ -0.0000450200000000, 0.0000911300000000, -0.0000130000000000 ] - [ -0.0003218700000000, 0.0017635900000000, 0.0005738800000000 ] - [ -0.0001745300000000, -0.0000913500000000, -0.0001917100000000 ] - [ -0.0001178000000000, -0.0001203100000000, -0.0000275300000000 ] - [ 0.0006068700000000, -0.0009314000000000, -0.0006538100000000 ] - [ -0.0005308100000000, -0.0007040200000000, 0.0001478600000000 ] - [ 0.0000844900000000, -0.0001059600000000, -0.0000383200000000 ] - [ 0.0000465300000000, 0.0000093300000000, -0.0000236600000000 ] - [ 0.0000554800000000, -0.0000375100000000, -0.0000421400000000 ] - [ -0.0000120500000000, 0.0001874900000000, 0.0000548600000000 ] - [ 0.0001142600000000, 0.0000064100000000, 0.0000537800000000 ] - [ 0.0000959400000000, -0.0001085200000000, -0.0001292900000000 ] - [ 0.0001576900000000, -0.0000204100000000, -0.0001242700000000 ] - [ 0.0001517500000000, -0.0001548300000000, -0.0001339500000000 ] - [ 0.0001226300000000, 0.0000264600000000, 0.0003586600000000 ] - [ 0.0000631000000000, -0.0003125200000000, -0.0001733200000000 ] - [ 0.0000219700000000, 0.0001038700000000, 0.0001936600000000 ] - [ -0.0000408800000000, 0.0003579700000000, 0.0000632000000000 ] - [ -0.0000068900000000, -0.0001928000000000, -0.0001079700000000 ] - [ 0.0028969800000000, 0.0074228800000000, -0.0085424500000000 ] - [ -0.0001466100000000, -0.0001224000000000, -0.0000826100000000 ] - [ 0.0000245900000000, -0.0002110000000000, -0.0000093500000000 ] - [ -0.0096457100000000, 0.0076240900000000, -0.0008005100000000 ] - [ 0.0000668700000000, -0.0003030600000000, 0.0001876200000000 ] - [ 0.0006189700000000, 0.0011872200000000, 0.0005497100000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000782200000000, 0.0000111900000000, -0.0000826200000000 ] - [ 0.0003228500000000, 0.0005434800000000, 0.0003115400000000 ] - [ -0.0001521600000000, 0.0001491900000000, 0.0000119400000000 ] - [ -0.0001429800000000, -0.0001028800000000, 0.0000418300000000 ] - [ 0.0000815500000000, -0.0002907800000000, 0.0000987300000000 ] - [ 0.0001684800000000, 0.0001653300000000, -0.0000843600000000 ] - [ 0.0020668600000000, -0.0016188300000000, 0.0008461800000000 ] - [ -0.0000915800000000, 0.0000613500000000, 0.0000028800000000 ] - [ 0.0000796800000000, -0.0003585000000000, -0.0000277300000000 ] - [ 0.0001275100000000, 0.0003500200000000, -0.0001594100000000 ] - [ 0.0000576700000000, -0.0002200500000000, 0.0000838300000000 ] - [ -0.0000305800000000, 0.0002580700000000, 0.0000857000000000 ] - [ -0.0001503000000000, 0.0000135600000000, 0.0002609100000000 ] - [ -0.0000457500000000, 0.0000616500000000, 0.0001642800000000 ] - [ 0.0000376300000000, -0.0001981700000000, 0.0000876800000000 ] - [ 0.0001336500000000, 0.0001011400000000, 0.0000310400000000 ] - [ -0.0000380400000000, -0.0001938200000000, 0.0000737200000000 ] - [ 0.0000060200000000, 0.0001960700000000, 0.0000781500000000 ] - [ 0.0000852700000000, -0.0000345900000000, 0.0002305500000000 ] - [ 0.0000870200000000, 0.0000168500000000, 0.0002314600000000 ] - [ -0.0000905300000000, 0.0000406700000000, 0.0001109400000000 ] - [ -0.0000740800000000, -0.0000593700000000, 0.0000777600000000 ] - [ -0.0001753200000000, -0.0002074600000000, -0.0000009600000000 ] - [ -0.0001531200000000, 0.0001877900000000, 0.0000263000000000 ] - [ 0.0000139100000000, -0.0001084100000000, -0.0001256800000000 ] - [ 0.0000117300000000, 0.0000978900000000, -0.0001020100000000 ] - [ -0.0000460200000000, -0.0000396600000000, -0.0000788800000000 ] - [ -0.0000548600000000, 0.0001027600000000, 0.0000976800000000 ] - [ 0.0000479100000000, -0.0000534300000000, -0.0002332600000000 ] - [ 0.0000452100000000, -0.0000235500000000, -0.0001805500000000 ] - [ -0.0010586600000000, -0.0005538500000000, 0.0011226500000000 ] - [ -0.0000576200000000, 0.0000427000000000, 0.0000415700000000 ] - [ -0.0000412600000000, 0.0001500000000000, -0.0000507300000000 ] - [ -0.0000528300000000, -0.0002359000000000, -0.0000946700000000 ] - [ 0.0005664800000000, -0.0007149400000000, 0.0003117800000000 ] - [ 0.0000768400000000, -0.0001071000000000, 0.0000939300000000 ] - [ 0.0002982700000000, 0.0001952800000000, -0.0010381000000000 ] - [ 0.0000028900000000, -0.0000850100000000, -0.0001291700000000 ] - [ -0.0001185100000000, -0.0001253000000000, -0.0000403800000000 ] - [ -0.0001323800000000, 0.0000818700000000, -0.0000866600000000 ] - [ -0.0059626300000000, 0.0277907400000000, -0.0099244800000000 ] - [ -0.0000485700000000, 0.0000103500000000, -0.0000168400000000 ] - [ 0.0002483000000000, -0.0001086200000000, 0.0000267500000000 ] - [ 0.0015851200000000, -0.0006520500000000, -0.0017265600000000 ] - [ 0.0000261500000000, -0.0000533100000000, -0.0000425800000000 ] - [ 0.0026174600000000, -0.0032468400000000, -0.0016081500000000 ] - [ 0.0000262100000000, 0.0001764600000000, -0.0000683500000000 ] - [ -0.0036685800000000, -0.0025503900000000, 0.0020916800000000 ] - [ 0.0000457800000000, -0.0002237400000000, -0.0001735500000000 ] - [ -0.0007520900000000, -0.0002362000000000, 0.0004412000000000 ] - [ 0.0001426800000000, 0.0000135300000000, 0.0000840000000000 ] - [ 0.0001481400000000, 0.0000138400000000, 0.0000524500000000 ] - [ -0.0000412800000000, -0.0000861700000000, 0.0001417200000000 ] - [ -0.0001232600000000, 0.0000352800000000, 0.0001302000000000 ] - [ 0.0002919700000000, -0.0002519700000000, 0.0008473600000000 ] - [ -0.0000316400000000, -0.0000126000000000, -0.0000745000000000 ] - [ 0.0000654400000000, -0.0001118300000000, -0.0000255400000000 ] - [ 0.0003347600000000, -0.0006221200000000, 0.0008583700000000 ] - [ -0.0019733900000000, 0.0004723100000000, 0.0001324200000000 ] - [ -0.0000526100000000, -0.0001837000000000, 0.0001383500000000 ] - [ 0.0003612000000000, 0.0001685400000000, -0.0003009200000000 ] - [ 0.0001991900000000, 0.0002376000000000, -0.0000004300000000 ] - [ -0.0005041700000000, -0.0029686200000000, -0.0008526700000000 ] - [ 0.0000063200000000, 0.0001075500000000, -0.0001325100000000 ] - [ 0.0000045100000000, -0.0015506800000000, -0.0009450700000000 ] - [ -0.0001554500000000, -0.0001260100000000, -0.0001885400000000 ] - [ -0.0000678600000000, 0.0002775600000000, -0.0000040500000000 ] - [ -0.0008028800000000, 0.0007704200000000, 0.0006240900000000 ] - [ 0.0005864500000000, 0.0008440800000000, -0.0002639700000000 ] - [ -0.0000134400000000, -0.0000383400000000, -0.0000864300000000 ] - [ -0.0000187800000000, 0.0000256700000000, -0.0000435800000000 ] - [ -0.0000304500000000, 0.0000018500000000, -0.0000270100000000 ] - [ 0.0002035200000000, -0.0002175800000000, -0.0000227400000000 ] - [ 0.0000817400000000, 0.0000236500000000, -0.0000240800000000 ] - [ 0.0002210300000000, 0.0001712100000000, -0.0000640600000000 ] - [ 0.0001586200000000, -0.0000413400000000, -0.0000700900000000 ] - [ -0.0003463600000000, -0.0000988200000000, 0.0002376400000000 ] - [ -0.0003192300000000, 0.0002265500000000, -0.0002617200000000 ] - [ -0.0000526300000000, 0.0004744700000000, 0.0002434200000000 ] - [ -0.0000072100000000, -0.0002640900000000, -0.0001271400000000 ] - [ 0.0002006700000000, -0.0004594100000000, -0.0001653700000000 ] - [ 0.0001667200000000, 0.0002922800000000, 0.0000016000000000 ] - [ -0.0030685400000000, -0.0072962600000000, 0.0086308400000000 ] - [ -0.0000606000000000, 0.0000575500000000, 0.0001340900000000 ] - [ -0.0000848200000000, 0.0000195200000000, 0.0000889700000000 ] - [ 0.0094019200000000, -0.0074378600000000, 0.0007842000000000 ] - [ -0.0000371400000000, 0.0002692700000000, -0.0000445500000000 ] - [ -0.0005893800000000, -0.0011370000000000, -0.0004117700000000 ]- atom: 41 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000821600000000, -0.0000357600000000, -0.0001114400000000 ] - [ -0.0003979500000000, -0.0003404700000000, 0.0001524000000000 ] - [ -0.0001227900000000, 0.0000782500000000, 0.0000494800000000 ] - [ -0.0000982500000000, -0.0000750100000000, -0.0000174300000000 ] - [ 0.0000815900000000, -0.0001488800000000, -0.0000593900000000 ] - [ 0.0000085900000000, 0.0002365900000000, -0.0000747500000000 ] - [ 0.0006080400000000, 0.0005367300000000, -0.0012480100000000 ] - [ -0.0000921000000000, 0.0000938700000000, 0.0000755300000000 ] - [ 0.0000991600000000, -0.0003062300000000, -0.0000410100000000 ] - [ -0.0000261200000000, 0.0004059000000000, -0.0000669400000000 ] - [ -0.0000207600000000, 0.0000573600000000, 0.0002731200000000 ] - [ 0.0000859600000000, 0.0001309300000000, -0.0000037600000000 ] - [ -0.0001537400000000, -0.0001606600000000, -0.0000708900000000 ] - [ -0.0000575600000000, 0.0000792800000000, 0.0001873300000000 ] - [ 0.0000401800000000, -0.0001634800000000, 0.0000900700000000 ] - [ -0.0002948800000000, 0.0002161500000000, 0.0002712100000000 ] - [ -0.0000659600000000, -0.0002000900000000, 0.0001032100000000 ] - [ -0.0000424200000000, 0.0001973100000000, 0.0000608400000000 ] - [ 0.0000319500000000, -0.0000016200000000, 0.0002467600000000 ] - [ -0.0000201000000000, -0.0000158400000000, 0.0003021000000000 ] - [ -0.0001591400000000, -0.0000508900000000, 0.0001317800000000 ] - [ -0.0001058100000000, 0.0000076200000000, 0.0000560500000000 ] - [ -0.0002867300000000, -0.0001207900000000, 0.0000737700000000 ] - [ -0.0002237600000000, 0.0001757400000000, 0.0000063000000000 ] - [ -0.0000402600000000, -0.0000608300000000, -0.0001758600000000 ] - [ -0.0000226500000000, 0.0001438700000000, 0.0000098500000000 ] - [ -0.0001153900000000, -0.0001713900000000, 0.0001456700000000 ] - [ -0.0000757300000000, 0.0000842200000000, -0.0000013400000000 ] - [ 0.0000455600000000, 0.0000421200000000, -0.0001918900000000 ] - [ 0.0001169100000000, -0.0000786300000000, -0.0000421300000000 ] - [ -0.0013441900000000, -0.0006771400000000, 0.0014199500000000 ] - [ 0.0000007100000000, 0.0000996000000000, 0.0000115200000000 ] - [ 0.0000190200000000, 0.0000168300000000, 0.0000623500000000 ] - [ -0.0000233600000000, -0.0001806100000000, -0.0001154300000000 ] - [ -0.0001664100000000, 0.0003749600000000, -0.0001731400000000 ] - [ 0.0000781600000000, -0.0000620200000000, 0.0003160900000000 ] - [ -0.0011247300000000, 0.0000568800000000, 0.0023773300000000 ] - [ 0.0000344400000000, -0.0000523700000000, -0.0001702800000000 ] - [ -0.0000616700000000, -0.0000214700000000, -0.0000622700000000 ] - [ 0.0000871000000000, -0.0000279900000000, 0.0002679200000000 ] - [ 0.0207702700000000, 0.0101795000000000, -0.0585318500000000 ] - [ -0.0000301300000000, 0.0000358300000000, 0.0000309200000000 ] - [ 0.0002914300000000, -0.0000813600000000, 0.0000423000000000 ] - [ -0.0005086300000000, 0.0030283500000000, 0.0040218100000000 ] - [ 0.0000086600000000, -0.0000414800000000, 0.0000548600000000 ] - [ 0.0000978800000000, -0.0007008500000000, 0.0000620900000000 ] - [ 0.0000397500000000, 0.0001534500000000, 0.0000280800000000 ] - [ -0.0007255500000000, -0.0023072900000000, -0.0004720700000000 ] - [ 0.0002143200000000, 0.0000011100000000, 0.0000384100000000 ] - [ -0.0005911700000000, -0.0019163500000000, 0.0056117600000000 ] - [ 0.0001337600000000, -0.0000982100000000, 0.0000280500000000 ] - [ 0.0000539000000000, -0.0000502700000000, 0.0002457600000000 ] - [ -0.0002086400000000, -0.0000111100000000, -0.0000008300000000 ] - [ -0.0001458900000000, 0.0000044000000000, 0.0001348600000000 ] - [ 0.0009505500000000, -0.0005996800000000, 0.0013209300000000 ] - [ -0.0000754300000000, 0.0001542400000000, 0.0000295300000000 ] - [ 0.0000934400000000, 0.0000882900000000, 0.0000485600000000 ] - [ 0.0008413800000000, -0.0010206700000000, 0.0010548800000000 ] - [ 0.0033269400000000, 0.0009972200000000, 0.0011924800000000 ] - [ -0.0000708100000000, -0.0002073400000000, 0.0002598400000000 ] - [ 0.0000764100000000, 0.0001157000000000, -0.0000604800000000 ] - [ -0.0001004700000000, -0.0000279000000000, -0.0004111900000000 ] - [ 0.0000909600000000, -0.0000373600000000, 0.0005092900000000 ] - [ -0.0002134900000000, 0.0003735400000000, -0.0002290100000000 ] - [ -0.0009898600000000, 0.0005833500000000, 0.0006696100000000 ] - [ -0.0000904900000000, -0.0000647800000000, -0.0004610100000000 ] - [ -0.0001313300000000, -0.0000872000000000, 0.0001495100000000 ] - [ -0.0011192600000000, 0.0001476800000000, -0.0004337400000000 ] - [ 0.0019098300000000, -0.0003362100000000, -0.0009846800000000 ] - [ 0.0000661400000000, -0.0000942200000000, -0.0001039100000000 ] - [ 0.0000850000000000, 0.0000242700000000, -0.0000206300000000 ] - [ 0.0002279700000000, -0.0001496500000000, -0.0001947400000000 ] - [ 0.0005609400000000, -0.0000315300000000, 0.0000283200000000 ] - [ 0.0001085500000000, 0.0000082500000000, -0.0000345200000000 ] - [ 0.0002330500000000, 0.0000248800000000, -0.0000865500000000 ] - [ 0.0001557700000000, 0.0000548100000000, -0.0001637400000000 ] - [ 0.0005841600000000, -0.0004423300000000, -0.0002826300000000 ] - [ -0.0001359000000000, 0.0003104600000000, 0.0003786700000000 ] - [ 0.0000602900000000, -0.0001034700000000, 0.0000765600000000 ] - [ -0.0002200400000000, -0.0002436600000000, -0.0003225200000000 ] - [ 0.0002536900000000, 0.0004378000000000, -0.0009057600000000 ] - [ -0.0000662500000000, 0.0000899000000000, 0.0000413300000000 ] - [ -0.0212528300000000, -0.0074546800000000, 0.0344371000000000 ] - [ -0.0001619300000000, -0.0000483500000000, -0.0000942800000000 ] - [ -0.0000573600000000, -0.0000248800000000, -0.0001489000000000 ] - [ 0.0001471800000000, -0.0018361900000000, 0.0087098200000000 ] - [ -0.0002011700000000, 0.0003908700000000, 0.0000660100000000 ] - [ -0.0005626800000000, 0.0007310500000000, 0.0006070600000000 ]- atom: 41 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000601200000000, 0.0000171400000000, -0.0000256900000000 ] - [ 0.0005353000000000, 0.0003578100000000, -0.0003025300000000 ] - [ -0.0001359600000000, 0.0000944900000000, 0.0000190900000000 ] - [ -0.0001609300000000, -0.0000977500000000, 0.0000850200000000 ] - [ 0.0000399600000000, -0.0001856100000000, 0.0000332500000000 ] - [ 0.0001132700000000, 0.0000976400000000, 0.0000434400000000 ] - [ -0.0007484700000000, -0.0007202000000000, 0.0012700200000000 ] - [ -0.0000865100000000, 0.0000742900000000, -0.0000627700000000 ] - [ 0.0000406900000000, -0.0002688300000000, -0.0000801800000000 ] - [ 0.0001663900000000, 0.0001701300000000, -0.0000543900000000 ] - [ 0.0000727200000000, -0.0003299500000000, -0.0000252400000000 ] - [ -0.0000336900000000, 0.0001411500000000, 0.0002520800000000 ] - [ 0.0000425400000000, -0.0000100300000000, 0.0003750600000000 ] - [ -0.0000522100000000, 0.0000918600000000, 0.0001159800000000 ] - [ 0.0000329900000000, -0.0001948300000000, 0.0000791000000000 ] - [ 0.0003690800000000, 0.0001428200000000, -0.0001017800000000 ] - [ 0.0000377200000000, -0.0002055900000000, 0.0000311400000000 ] - [ 0.0000132600000000, 0.0002080600000000, 0.0000729700000000 ] - [ 0.0000986400000000, -0.0000018600000000, 0.0002414400000000 ] - [ 0.0001509500000000, 0.0000193400000000, 0.0001857200000000 ] - [ -0.0000120000000000, 0.0000753000000000, 0.0000126500000000 ] - [ -0.0000663400000000, -0.0000314900000000, 0.0000884200000000 ] - [ -0.0001120900000000, -0.0002839400000000, -0.0000373300000000 ] - [ -0.0001758100000000, 0.0002285100000000, 0.0000301500000000 ] - [ 0.0000090500000000, -0.0000995700000000, -0.0000927400000000 ] - [ -0.0000076100000000, 0.0000165600000000, -0.0002785900000000 ] - [ -0.0000503800000000, -0.0000555600000000, -0.0000806100000000 ] - [ -0.0000897400000000, 0.0001415000000000, 0.0000622900000000 ] - [ 0.0000856900000000, 0.0000515500000000, -0.0001189500000000 ] - [ 0.0000150900000000, -0.0000148300000000, -0.0002699700000000 ] - [ 0.0013087900000000, 0.0005197700000000, -0.0013988300000000 ] - [ -0.0000605700000000, 0.0000736700000000, 0.0000248200000000 ] - [ -0.0000234600000000, 0.0001986000000000, -0.0001831700000000 ] - [ 0.0000178800000000, -0.0000364400000000, -0.0000055300000000 ] - [ 0.0002613100000000, -0.0001034500000000, 0.0003014100000000 ] - [ 0.0000195900000000, -0.0002061200000000, -0.0001885300000000 ] - [ 0.0010761400000000, -0.0000808100000000, -0.0026700700000000 ] - [ -0.0001033200000000, 0.0000598700000000, -0.0000565600000000 ] - [ -0.0000748700000000, -0.0000378800000000, 0.0000006600000000 ] - [ -0.0002220900000000, 0.0000870400000000, -0.0003301400000000 ] - [ -0.0198751000000000, -0.0097377100000000, 0.0569401800000000 ] - [ -0.0000450000000000, 0.0000391200000000, -0.0000616600000000 ] - [ 0.0002159900000000, 0.0000110500000000, -0.0000375900000000 ] - [ 0.0010067300000000, -0.0028940100000000, -0.0039156900000000 ] - [ -0.0000062100000000, 0.0001402700000000, -0.0002100300000000 ] - [ -0.0000821600000000, 0.0005822900000000, -0.0002178900000000 ] - [ 0.0000442100000000, 0.0002595700000000, -0.0001540100000000 ] - [ 0.0008209300000000, 0.0018767300000000, 0.0003343800000000 ] - [ 0.0000690800000000, -0.0002078800000000, -0.0001128500000000 ] - [ 0.0008547600000000, 0.0021189800000000, -0.0056343700000000 ] - [ 0.0001830900000000, 0.0000734100000000, 0.0001351400000000 ] - [ 0.0002628000000000, 0.0000746000000000, -0.0000828100000000 ] - [ -0.0000667400000000, -0.0000597800000000, 0.0002263900000000 ] - [ -0.0001311500000000, 0.0000673000000000, 0.0000900400000000 ] - [ -0.0010442600000000, 0.0004858700000000, -0.0012887400000000 ] - [ -0.0000351600000000, -0.0000511500000000, -0.0000195300000000 ] - [ 0.0000438500000000, -0.0001518900000000, -0.0000683100000000 ] - [ -0.0007182400000000, 0.0011069400000000, -0.0010933900000000 ] - [ -0.0034551100000000, -0.0006997200000000, -0.0009607100000000 ] - [ -0.0000345900000000, -0.0000993000000000, -0.0000273600000000 ] - [ 0.0000943300000000, -0.0004249500000000, -0.0001556300000000 ] - [ 0.0002695100000000, 0.0003353800000000, 0.0001982200000000 ] - [ -0.0001377000000000, -0.0002081800000000, -0.0006701500000000 ] - [ 0.0001710700000000, -0.0001718500000000, 0.0000842200000000 ] - [ 0.0006623900000000, -0.0003502500000000, -0.0010606200000000 ] - [ -0.0002407500000000, -0.0001486100000000, 0.0000812100000000 ] - [ -0.0000563600000000, 0.0002467600000000, -0.0001834200000000 ] - [ 0.0009008500000000, -0.0003087400000000, 0.0004149000000000 ] - [ -0.0018403700000000, 0.0004687500000000, 0.0008645900000000 ] - [ 0.0000056400000000, -0.0000509000000000, -0.0000204900000000 ] - [ -0.0000555500000000, 0.0000113200000000, -0.0000471900000000 ] - [ -0.0001998800000000, 0.0001139400000000, 0.0001248300000000 ] - [ -0.0003668500000000, 0.0000044800000000, 0.0000005800000000 ] - [ 0.0000879700000000, 0.0000216000000000, 0.0000661900000000 ] - [ 0.0000863100000000, 0.0000373700000000, -0.0001087300000000 ] - [ 0.0001609900000000, -0.0001169200000000, -0.0000308700000000 ] - [ -0.0007852600000000, 0.0001896800000000, 0.0003831500000000 ] - [ -0.0000579700000000, -0.0000573600000000, -0.0002746600000000 ] - [ -0.0000487100000000, 0.0002607100000000, -0.0000122700000000 ] - [ 0.0002342800000000, 0.0000848100000000, 0.0003907700000000 ] - [ -0.0000989700000000, -0.0005394300000000, 0.0007971200000000 ] - [ 0.0002236700000000, 0.0000109700000000, -0.0001453000000000 ] - [ 0.0200642700000000, 0.0070160600000000, -0.0328710600000000 ] - [ -0.0000458300000000, -0.0000155400000000, 0.0001444000000000 ] - [ -0.0000030700000000, -0.0001679600000000, 0.0002287900000000 ] - [ -0.0002037700000000, 0.0020412500000000, -0.0086208100000000 ] - [ 0.0002327500000000, -0.0004328500000000, 0.0000746900000000 ] - [ 0.0005881500000000, -0.0006865100000000, -0.0004547700000000 ]- atom: 43 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0006846600000000, -0.0005160600000000, 0.0005333200000000 ] - [ 0.0000899600000000, 0.0000196800000000, -0.0000766800000000 ] - [ -0.0001937500000000, 0.0000907000000000, -0.0000558200000000 ] - [ -0.0001600100000000, 0.0000002000000000, 0.0000154600000000 ] - [ 0.0034198900000000, -0.0012576000000000, -0.0019404300000000 ] - [ 0.0000553800000000, 0.0002173500000000, 0.0001161000000000 ] - [ -0.0001383600000000, -0.0000427700000000, -0.0000602500000000 ] - [ -0.0001491500000000, 0.0000984800000000, 0.0001500700000000 ] - [ 0.0056905000000000, 0.0044957900000000, 0.0008615700000000 ] - [ 0.0000609900000000, 0.0003180600000000, -0.0000487300000000 ] - [ 0.0001580800000000, -0.0002781800000000, 0.0000261100000000 ] - [ 0.0000243600000000, 0.0000951600000000, 0.0001393800000000 ] - [ -0.0000028400000000, -0.0001020900000000, 0.0001630400000000 ] - [ 0.0005963400000000, -0.0001410300000000, 0.0004674000000000 ] - [ 0.0001954300000000, -0.0002891800000000, 0.0000441000000000 ] - [ 0.0001058400000000, 0.0001643800000000, 0.0000782300000000 ] - [ 0.0001822200000000, -0.0002286200000000, 0.0000978700000000 ] - [ 0.0001727600000000, 0.0002227900000000, 0.0001386600000000 ] - [ 0.0003143100000000, 0.0000099700000000, 0.0002195200000000 ] - [ 0.0004946100000000, 0.0000920100000000, 0.0000782500000000 ] - [ 0.0000737500000000, 0.0001259200000000, 0.0001193800000000 ] - [ 0.0000036300000000, -0.0001009400000000, 0.0002006600000000 ] - [ -0.0000691100000000, -0.0002175900000000, -0.0000288400000000 ] - [ -0.0001375700000000, 0.0002362500000000, 0.0000157200000000 ] - [ 0.0001310100000000, 0.0000006100000000, -0.0001622700000000 ] - [ 0.0000562200000000, 0.0000627100000000, -0.0001578300000000 ] - [ -0.0000197900000000, -0.0000238300000000, -0.0000005900000000 ] - [ -0.0000578600000000, 0.0001228100000000, 0.0001071800000000 ] - [ 0.0011182800000000, 0.0003297300000000, 0.0010024100000000 ] - [ 0.0001166700000000, -0.0001194000000000, -0.0002204900000000 ] - [ 0.0000965900000000, -0.0002899300000000, -0.0001489300000000 ] - [ -0.0000413500000000, 0.0000363300000000, 0.0001665000000000 ] - [ 0.0012696700000000, -0.0016278000000000, -0.0010009200000000 ] - [ 0.0000677000000000, -0.0000981700000000, 0.0001034400000000 ] - [ 0.0000622500000000, 0.0002264700000000, 0.0001577300000000 ] - [ -0.0000436200000000, -0.0001786600000000, -0.0000217800000000 ] - [ -0.0002077900000000, 0.0000728200000000, -0.0001067000000000 ] - [ -0.0001111200000000, 0.0000982300000000, 0.0000275200000000 ] - [ 0.0005723000000000, 0.0003726700000000, 0.0012997600000000 ] - [ -0.0001889000000000, -0.0000231900000000, -0.0001165500000000 ] - [ -0.0001475000000000, -0.0000316100000000, 0.0000230500000000 ] - [ -0.0009330000000000, 0.0013590300000000, -0.0007594600000000 ] - [ -0.0705423700000000, 0.0065078100000000, -0.0242981000000000 ] - [ 0.0001899100000000, 0.0000311200000000, -0.0000052000000000 ] - [ -0.0005790900000000, 0.0007430400000000, 0.0018163600000000 ] - [ -0.0001986700000000, -0.0002277100000000, 0.0001325300000000 ] - [ -0.0011832700000000, -0.0040145500000000, 0.0008019000000000 ] - [ 0.0000023000000000, -0.0002167000000000, -0.0000596300000000 ] - [ 0.0009861600000000, -0.0007604700000000, -0.0009139700000000 ] - [ 0.0001352800000000, 0.0000464100000000, 0.0000544200000000 ] - [ 0.0003153100000000, -0.0000901500000000, -0.0001327600000000 ] - [ 0.0002735400000000, -0.0001834900000000, 0.0001048000000000 ] - [ -0.0000470000000000, -0.0000927900000000, 0.0001348600000000 ] - [ 0.0001977200000000, 0.0001844300000000, 0.0002504200000000 ] - [ -0.0001258900000000, -0.0000254400000000, -0.0000106200000000 ] - [ 0.0015327000000000, 0.0039735800000000, -0.0001915100000000 ] - [ -0.0000964200000000, -0.0000146400000000, 0.0001870400000000 ] - [ -0.0005427700000000, 0.0006232500000000, -0.0002214400000000 ] - [ -0.0000755700000000, 0.0001012900000000, 0.0000863600000000 ] - [ -0.0001521200000000, -0.0001381000000000, 0.0001970000000000 ] - [ -0.0001632800000000, -0.0000097400000000, 0.0000600100000000 ] - [ 0.0003793800000000, 0.0001387400000000, -0.0000021900000000 ] - [ 0.0002920700000000, -0.0001360800000000, -0.0001020200000000 ] - [ 0.0003051100000000, 0.0000227000000000, -0.0003110800000000 ] - [ -0.0001546500000000, 0.0002032400000000, -0.0001398000000000 ] - [ -0.0019867800000000, 0.0008797800000000, -0.0009555600000000 ] - [ 0.0012433600000000, -0.0004154600000000, -0.0000141000000000 ] - [ -0.0001565900000000, -0.0000667800000000, -0.0001641000000000 ] - [ -0.0001916300000000, 0.0000297900000000, -0.0000038100000000 ] - [ -0.0014699500000000, 0.0001594100000000, -0.0005563900000000 ] - [ -0.0003930000000000, -0.0000221000000000, 0.0000915200000000 ] - [ -0.0004346900000000, -0.0000842800000000, 0.0000664000000000 ] - [ -0.0002530000000000, -0.0000922500000000, 0.0000666100000000 ] - [ -0.0000438100000000, 0.0001233400000000, -0.0001612600000000 ] - [ -0.0002150700000000, 0.0001883700000000, -0.0006461300000000 ] - [ -0.0008227900000000, 0.0000949900000000, 0.0000490500000000 ] - [ -0.0003824500000000, -0.0009372300000000, 0.0005760800000000 ] - [ -0.0000186300000000, 0.0000431200000000, 0.0000120100000000 ] - [ -0.0006857600000000, -0.0007101000000000, -0.0004605900000000 ] - [ 0.0001491300000000, -0.0000029600000000, 0.0000526300000000 ] - [ 0.0004400200000000, 0.0007729800000000, -0.0001258300000000 ] - [ 0.0000520800000000, 0.0002584800000000, -0.0007263000000000 ] - [ 0.0000728900000000, 0.0000560500000000, -0.0000493900000000 ] - [ 0.0179363200000000, -0.0140880100000000, 0.0101465400000000 ] - [ 0.0015544500000000, -0.0008720100000000, 0.0008827800000000 ] - [ 0.0002080300000000, 0.0002636900000000, -0.0000190600000000 ] - [ 0.0413167300000000, 0.0044846100000000, 0.0131787100000000 ] - [ 0.0001211100000000, -0.0000306800000000, -0.0001233400000000 ]- atom: 43 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ -0.0005544000000000, 0.0005206100000000, -0.0006940100000000 ] - [ 0.0000507200000000, 0.0000002000000000, -0.0000591500000000 ] - [ -0.0000636800000000, 0.0000814100000000, 0.0001243600000000 ] - [ -0.0000974600000000, -0.0001716500000000, 0.0000539100000000 ] - [ -0.0033645200000000, 0.0009233700000000, 0.0019600300000000 ] - [ 0.0000667900000000, 0.0001206400000000, -0.0001419700000000 ] - [ -0.0000385700000000, -0.0001246900000000, 0.0000715400000000 ] - [ -0.0000253400000000, 0.0000688200000000, -0.0001366900000000 ] - [ -0.0056415900000000, -0.0051229400000000, -0.0009948100000000 ] - [ 0.0000784300000000, 0.0002583900000000, -0.0000721100000000 ] - [ -0.0001062200000000, 0.0000046600000000, 0.0002237900000000 ] - [ 0.0000253900000000, 0.0001747100000000, 0.0001094900000000 ] - [ -0.0001049900000000, -0.0000701100000000, 0.0001396100000000 ] - [ -0.0007083600000000, 0.0003142200000000, -0.0001656700000000 ] - [ -0.0001158200000000, -0.0000673300000000, 0.0001283700000000 ] - [ -0.0000319200000000, 0.0001942600000000, 0.0000929400000000 ] - [ -0.0002047900000000, -0.0001778100000000, 0.0000400200000000 ] - [ -0.0001958200000000, 0.0001828600000000, -0.0000004700000000 ] - [ -0.0001785500000000, -0.0000147800000000, 0.0002661700000000 ] - [ -0.0003594100000000, -0.0000875500000000, 0.0004058100000000 ] - [ -0.0002430200000000, -0.0001008100000000, 0.0000265900000000 ] - [ -0.0001721800000000, 0.0000742000000000, -0.0000530800000000 ] - [ -0.0003263700000000, -0.0001888700000000, 0.0000655700000000 ] - [ -0.0002582000000000, 0.0001704200000000, 0.0000214600000000 ] - [ -0.0001598400000000, -0.0001591400000000, -0.0001073600000000 ] - [ -0.0000853700000000, 0.0000961400000000, -0.0001126100000000 ] - [ -0.0001445400000000, -0.0002050000000000, 0.0000651500000000 ] - [ -0.0001070300000000, 0.0001067400000000, -0.0000426600000000 ] - [ -0.0009652000000000, -0.0002379900000000, -0.0012917400000000 ] - [ 0.0000132200000000, 0.0000288300000000, -0.0000938900000000 ] - [ -0.0001588100000000, 0.0001183500000000, 0.0001850700000000 ] - [ -0.0000215500000000, 0.0001331100000000, -0.0001291400000000 ] - [ -0.0012616200000000, 0.0018161800000000, 0.0008594600000000 ] - [ -0.0000771000000000, -0.0001177300000000, -0.0002245400000000 ] - [ 0.0000325900000000, 0.0000417200000000, -0.0000286900000000 ] - [ 0.0001381500000000, -0.0000895600000000, 0.0001490500000000 ] - [ 0.0001356300000000, -0.0000791800000000, -0.0001173700000000 ] - [ 0.0000399800000000, -0.0000898100000000, -0.0002500900000000 ] - [ -0.0007143100000000, -0.0004345300000000, -0.0013669900000000 ] - [ 0.0000502700000000, 0.0000846400000000, 0.0000486100000000 ] - [ 0.0000710900000000, -0.0000437300000000, -0.0000562300000000 ] - [ 0.0008555600000000, -0.0013012200000000, 0.0007496400000000 ] - [ 0.0731033600000000, -0.0061896900000000, 0.0251409700000000 ] - [ 0.0003157800000000, 0.0000398800000000, 0.0000099700000000 ] - [ 0.0006025100000000, -0.0006535300000000, -0.0019754200000000 ] - [ 0.0002055200000000, 0.0001313700000000, -0.0002893200000000 ] - [ 0.0012917000000000, 0.0044517800000000, -0.0009234400000000 ] - [ 0.0000871100000000, -0.0002006300000000, -0.0000692500000000 ] - [ -0.0006990600000000, 0.0005408900000000, 0.0008357800000000 ] - [ 0.0001503300000000, 0.0001576400000000, -0.0001295000000000 ] - [ 0.0000022700000000, 0.0000673600000000, 0.0002911300000000 ] - [ 0.0000451700000000, 0.0002044300000000, 0.0000565800000000 ] - [ -0.0002255500000000, 0.0000236200000000, 0.0000893800000000 ] - [ -0.0004702400000000, -0.0001140900000000, -0.0000272200000000 ] - [ 0.0000122000000000, -0.0000795800000000, 0.0000219600000000 ] - [ -0.0016354000000000, -0.0038278200000000, 0.0002047200000000 ] - [ 0.0002343900000000, -0.0000514100000000, -0.0002018600000000 ] - [ 0.0006900500000000, -0.0005401200000000, 0.0002059600000000 ] - [ -0.0000272900000000, 0.0002036400000000, 0.0001458000000000 ] - [ 0.0000490900000000, -0.0001680400000000, 0.0000381200000000 ] - [ 0.0003337700000000, -0.0003031500000000, -0.0002749400000000 ] - [ -0.0002068300000000, 0.0001717900000000, -0.0002097300000000 ] - [ -0.0003259200000000, -0.0000623800000000, -0.0000441900000000 ] - [ -0.0003427600000000, 0.0001819200000000, 0.0001653300000000 ] - [ -0.0001839700000000, 0.0000134100000000, -0.0002399200000000 ] - [ 0.0016658400000000, -0.0011071900000000, 0.0005784300000000 ] - [ -0.0014816000000000, 0.0006002600000000, -0.0000018100000000 ] - [ -0.0000341100000000, -0.0000915000000000, 0.0001331600000000 ] - [ 0.0002601700000000, 0.0001136000000000, -0.0001206400000000 ] - [ 0.0015333700000000, -0.0003093100000000, 0.0004227900000000 ] - [ 0.0004200800000000, 0.0000577100000000, -0.0001579700000000 ] - [ 0.0004602500000000, 0.0000495400000000, -0.0001343500000000 ] - [ 0.0004484900000000, 0.0000641800000000, -0.0000356700000000 ] - [ 0.0002419100000000, -0.0000935200000000, 0.0001931100000000 ] - [ 0.0005327100000000, -0.0001254000000000, 0.0004440700000000 ] - [ 0.0011371000000000, -0.0001543400000000, -0.0002403800000000 ] - [ 0.0001863200000000, 0.0006730900000000, -0.0004669500000000 ] - [ -0.0001741500000000, 0.0002137600000000, 0.0000901400000000 ] - [ 0.0006973800000000, 0.0008642100000000, 0.0005151500000000 ] - [ -0.0001341300000000, -0.0001577100000000, 0.0000109200000000 ] - [ -0.0002717800000000, -0.0008667300000000, 0.0000197900000000 ] - [ 0.0001107700000000, -0.0001627700000000, 0.0006240500000000 ] - [ -0.0002731700000000, 0.0000092800000000, 0.0001010400000000 ] - [ -0.0182276000000000, 0.0142141600000000, -0.0102535600000000 ] - [ -0.0016247300000000, 0.0006895600000000, -0.0008175700000000 ] - [ -0.0002685300000000, -0.0000692700000000, 0.0001028600000000 ] - [ -0.0431899900000000, -0.0051063900000000, -0.0137416400000000 ] - [ -0.0000921200000000, 0.0000674500000000, 0.0002667700000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001778500000000, -0.0003258700000000, -0.0002856500000000 ] - [ 0.0000390600000000, -0.0000489500000000, -0.0000349000000000 ] - [ -0.0001040500000000, 0.0001012300000000, 0.0000787800000000 ] - [ -0.0000681600000000, -0.0000928600000000, -0.0000102400000000 ] - [ 0.0014378300000000, -0.0002576700000000, -0.0004668800000000 ] - [ 0.0000928300000000, 0.0002236600000000, -0.0000283300000000 ] - [ -0.0000432800000000, -0.0000208400000000, -0.0000768000000000 ] - [ -0.0001278200000000, -0.0000753500000000, -0.0001212400000000 ] - [ 0.0012226200000000, -0.0012191000000000, 0.0009050800000000 ] - [ 0.0000939500000000, 0.0002697100000000, -0.0000736600000000 ] - [ -0.0000576900000000, -0.0001055800000000, 0.0001683900000000 ] - [ 0.0000582500000000, 0.0002313300000000, 0.0000868100000000 ] - [ -0.0000459200000000, -0.0000482600000000, 0.0001554700000000 ] - [ -0.0003537700000000, 0.0002039100000000, 0.0000012000000000 ] - [ -0.0001452400000000, -0.0002490600000000, 0.0001366500000000 ] - [ 0.0000440300000000, 0.0001997100000000, 0.0000684700000000 ] - [ -0.0000817700000000, -0.0001659700000000, 0.0000773300000000 ] - [ -0.0000685000000000, 0.0001887100000000, 0.0000441000000000 ] - [ 0.0000150700000000, -0.0000448100000000, 0.0002306500000000 ] - [ -0.0000555200000000, 0.0000451600000000, 0.0003098200000000 ] - [ -0.0001141600000000, 0.0000233400000000, 0.0000746800000000 ] - [ -0.0001051000000000, -0.0000201700000000, 0.0000211800000000 ] - [ -0.0002116800000000, -0.0000639900000000, -0.0000048400000000 ] - [ -0.0002036600000000, 0.0002086300000000, 0.0000209400000000 ] - [ -0.0000407900000000, -0.0001702800000000, -0.0000549400000000 ] - [ -0.0000527000000000, 0.0001184200000000, -0.0001148800000000 ] - [ -0.0000561200000000, 0.0000138900000000, 0.0000411900000000 ] - [ -0.0000860500000000, 0.0000975500000000, -0.0000257600000000 ] - [ -0.0002600400000000, -0.0002682100000000, -0.0005105900000000 ] - [ 0.0000259300000000, 0.0000296900000000, -0.0001211800000000 ] - [ -0.0003165000000000, 0.0001986200000000, 0.0002338400000000 ] - [ -0.0000249200000000, 0.0000738600000000, -0.0000567500000000 ] - [ -0.0012273000000000, 0.0013499900000000, 0.0008342700000000 ] - [ -0.0000908900000000, -0.0002161700000000, -0.0001924000000000 ] - [ 0.0000795200000000, 0.0000543100000000, 0.0001340100000000 ] - [ 0.0001515400000000, 0.0000347100000000, 0.0000910700000000 ] - [ -0.0000962800000000, 0.0002670200000000, -0.0001513700000000 ] - [ 0.0000526400000000, -0.0000677300000000, -0.0002375400000000 ] - [ -0.0002970000000000, -0.0002661900000000, 0.0000018400000000 ] - [ -0.0001040100000000, 0.0001228300000000, 0.0000219400000000 ] - [ -0.0000097200000000, 0.0000345000000000, -0.0000645400000000 ] - [ 0.0002642800000000, 0.0007245400000000, -0.0029931000000000 ] - [ 0.0070509900000000, -0.0649942100000000, 0.0174784700000000 ] - [ 0.0002567500000000, 0.0000508600000000, -0.0000083700000000 ] - [ 0.0015785500000000, 0.0010504800000000, 0.0027117000000000 ] - [ 0.0002004300000000, 0.0000956400000000, -0.0003597100000000 ] - [ -0.0003965600000000, 0.0053382900000000, -0.0019757300000000 ] - [ 0.0000197300000000, -0.0000935000000000, -0.0000459900000000 ] - [ -0.0023392600000000, 0.0028784100000000, 0.0018359100000000 ] - [ 0.0001021800000000, 0.0002080900000000, -0.0001728800000000 ] - [ 0.0001191500000000, 0.0000671700000000, 0.0001787800000000 ] - [ 0.0000691800000000, 0.0001826700000000, 0.0000073000000000 ] - [ -0.0001415000000000, -0.0000408700000000, 0.0001070700000000 ] - [ -0.0002787600000000, -0.0000840200000000, 0.0000776400000000 ] - [ -0.0000535500000000, -0.0000183000000000, -0.0000004900000000 ] - [ 0.0026411900000000, 0.0042767400000000, 0.0002849200000000 ] - [ 0.0001372700000000, -0.0001193300000000, -0.0000942700000000 ] - [ 0.0021587700000000, 0.0059252400000000, -0.0003897700000000 ] - [ -0.0000109900000000, 0.0003672800000000, 0.0000524400000000 ] - [ -0.0000615300000000, -0.0002428900000000, 0.0000710400000000 ] - [ -0.0007288000000000, 0.0015666800000000, -0.0027751300000000 ] - [ 0.0001295500000000, 0.0001773700000000, -0.0002808300000000 ] - [ -0.0001189500000000, -0.0004004200000000, -0.0002319700000000 ] - [ -0.0001966700000000, -0.0000863500000000, 0.0002388400000000 ] - [ -0.0001644200000000, -0.0000340700000000, -0.0002510600000000 ] - [ -0.0009246500000000, -0.0005593900000000, -0.0004266600000000 ] - [ -0.0007682400000000, 0.0002642100000000, -0.0002039700000000 ] - [ -0.0001098200000000, -0.0002478200000000, 0.0000885500000000 ] - [ 0.0000254000000000, 0.0000672800000000, -0.0000466200000000 ] - [ 0.0016160400000000, -0.0003199100000000, 0.0006791100000000 ] - [ 0.0001290600000000, 0.0000761500000000, -0.0001174600000000 ] - [ 0.0001347700000000, -0.0000959400000000, -0.0000785500000000 ] - [ 0.0003001200000000, -0.0001006200000000, -0.0000596700000000 ] - [ 0.0001292500000000, 0.0000172300000000, 0.0001217000000000 ] - [ 0.0003436500000000, 0.0000475800000000, 0.0001662400000000 ] - [ 0.0006452100000000, -0.0000146500000000, -0.0002251500000000 ] - [ -0.0003245400000000, -0.0008656400000000, 0.0003193800000000 ] - [ -0.0001865400000000, 0.0000950900000000, 0.0000690400000000 ] - [ 0.0001050200000000, 0.0006646400000000, -0.0001890000000000 ] - [ -0.0000395400000000, -0.0001858800000000, 0.0000509200000000 ] - [ 0.0006635700000000, -0.0008527900000000, -0.0003588000000000 ] - [ 0.0000776300000000, 0.0001148800000000, 0.0002891300000000 ] - [ -0.0001021900000000, -0.0000991700000000, 0.0001078200000000 ] - [ -0.0168839200000000, 0.0340385200000000, -0.0155407300000000 ] - [ -0.0009977200000000, 0.0002832400000000, -0.0000584000000000 ] - [ -0.0003162100000000, -0.0002074500000000, 0.0008377700000000 ] - [ 0.0075634800000000, 0.0105921200000000, -0.0001927900000000 ] - [ -0.0000036900000000, 0.0001291400000000, 0.0001980800000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003206300000000, 0.0002916900000000, 0.0001497700000000 ] - [ 0.0001016000000000, 0.0000687300000000, -0.0001015900000000 ] - [ -0.0001531900000000, 0.0000709900000000, -0.0000083500000000 ] - [ -0.0001897600000000, -0.0000796700000000, 0.0000793900000000 ] - [ -0.0012913100000000, -0.0000783200000000, 0.0004354000000000 ] - [ 0.0000288700000000, 0.0001144300000000, 0.0000025800000000 ] - [ -0.0001358400000000, -0.0001462000000000, 0.0000892500000000 ] - [ -0.0000521000000000, 0.0002417300000000, 0.0001319300000000 ] - [ -0.0010460900000000, 0.0006601700000000, -0.0010143500000000 ] - [ 0.0000440900000000, 0.0003070900000000, -0.0000471500000000 ] - [ 0.0001076900000000, -0.0001662600000000, 0.0000804500000000 ] - [ -0.0000095000000000, 0.0000380000000000, 0.0001626200000000 ] - [ -0.0000641500000000, -0.0001237600000000, 0.0001468100000000 ] - [ 0.0002454100000000, -0.0000317900000000, 0.0003018100000000 ] - [ 0.0002152800000000, -0.0001105500000000, 0.0000356900000000 ] - [ 0.0000275900000000, 0.0001594900000000, 0.0001031000000000 ] - [ 0.0000565700000000, -0.0002402000000000, 0.0000602600000000 ] - [ 0.0000421900000000, 0.0002164800000000, 0.0000932200000000 ] - [ 0.0001170100000000, 0.0000390100000000, 0.0002545400000000 ] - [ 0.0001883200000000, -0.0000398000000000, 0.0001756600000000 ] - [ -0.0000549700000000, 0.0000037400000000, 0.0000716300000000 ] - [ -0.0000656900000000, -0.0000045300000000, 0.0001240500000000 ] - [ -0.0001847500000000, -0.0003418100000000, 0.0000418200000000 ] - [ -0.0001934100000000, 0.0001962600000000, 0.0000161900000000 ] - [ 0.0000097400000000, 0.0000101800000000, -0.0002148900000000 ] - [ 0.0000227600000000, 0.0000404900000000, -0.0001549400000000 ] - [ -0.0001087300000000, -0.0002427400000000, 0.0000230600000000 ] - [ -0.0000793900000000, 0.0001311600000000, 0.0000890400000000 ] - [ 0.0003824300000000, 0.0003563700000000, 0.0001913000000000 ] - [ 0.0001034300000000, -0.0001192100000000, -0.0001913300000000 ] - [ 0.0002545100000000, -0.0003678500000000, -0.0001971900000000 ] - [ -0.0000373200000000, 0.0000961000000000, 0.0000921500000000 ] - [ 0.0012375400000000, -0.0011440700000000, -0.0009742900000000 ] - [ 0.0000817100000000, 0.0000015700000000, 0.0000691500000000 ] - [ 0.0000154700000000, 0.0002109600000000, -0.0000060400000000 ] - [ -0.0000567300000000, -0.0003028600000000, 0.0000369900000000 ] - [ 0.0000287300000000, -0.0002755300000000, -0.0000736900000000 ] - [ -0.0001221100000000, 0.0000740400000000, 0.0000119800000000 ] - [ 0.0001502300000000, 0.0001987500000000, -0.0000812700000000 ] - [ -0.0000323200000000, -0.0000609800000000, -0.0000894600000000 ] - [ -0.0000656700000000, -0.0001107300000000, 0.0000316200000000 ] - [ -0.0003260400000000, -0.0006458400000000, 0.0029318600000000 ] - [ -0.0056534100000000, 0.0634677600000000, -0.0166893800000000 ] - [ 0.0002499100000000, 0.0000206100000000, 0.0000142800000000 ] - [ -0.0015802700000000, -0.0009567200000000, -0.0028868200000000 ] - [ -0.0001932600000000, -0.0001903600000000, 0.0002043600000000 ] - [ 0.0004657000000000, -0.0048822600000000, 0.0018307000000000 ] - [ 0.0000694800000000, -0.0003236300000000, -0.0000823000000000 ] - [ 0.0025802100000000, -0.0030127200000000, -0.0018680600000000 ] - [ 0.0001833700000000, -0.0000039700000000, 0.0000976900000000 ] - [ 0.0001951000000000, -0.0000911600000000, -0.0000174600000000 ] - [ 0.0002453100000000, -0.0001592100000000, 0.0001533300000000 ] - [ -0.0001336900000000, -0.0000272000000000, 0.0001169200000000 ] - [ 0.0000041100000000, 0.0001523600000000, 0.0001459100000000 ] - [ -0.0000589600000000, -0.0000877800000000, 0.0000121600000000 ] - [ -0.0026881200000000, -0.0040823400000000, -0.0002681400000000 ] - [ 0.0000036300000000, 0.0000529700000000, 0.0000766700000000 ] - [ -0.0020727800000000, -0.0060020100000000, 0.0003875200000000 ] - [ -0.0000938000000000, -0.0000624800000000, 0.0001855400000000 ] - [ -0.0000417700000000, -0.0000627200000000, 0.0001625400000000 ] - [ 0.0009376200000000, -0.0019343200000000, 0.0026720900000000 ] - [ 0.0000386200000000, 0.0001324900000000, 0.0000667800000000 ] - [ 0.0000762500000000, 0.0002011800000000, 0.0000860100000000 ] - [ 0.0001555100000000, 0.0002886200000000, -0.0003827200000000 ] - [ -0.0001731800000000, 0.0002503000000000, -0.0001316900000000 ] - [ 0.0005586300000000, 0.0003584100000000, 0.0000298800000000 ] - [ 0.0005794400000000, -0.0001040700000000, 0.0001717700000000 ] - [ -0.0000797000000000, 0.0000885100000000, -0.0001176800000000 ] - [ 0.0000467000000000, 0.0000748700000000, -0.0000769100000000 ] - [ -0.0015514400000000, 0.0001794000000000, -0.0008109100000000 ] - [ -0.0000954500000000, -0.0000385300000000, 0.0000489200000000 ] - [ -0.0001036700000000, 0.0000580600000000, 0.0000087300000000 ] - [ -0.0001039600000000, 0.0000699500000000, 0.0000925100000000 ] - [ 0.0000691000000000, 0.0000109400000000, -0.0000892000000000 ] - [ -0.0000219600000000, 0.0000086000000000, -0.0003565400000000 ] - [ -0.0003241100000000, -0.0000467300000000, 0.0000279300000000 ] - [ 0.0001312900000000, 0.0006082200000000, -0.0002127600000000 ] - [ -0.0000091700000000, 0.0001630600000000, 0.0000331500000000 ] - [ -0.0000867400000000, -0.0004961000000000, 0.0002559600000000 ] - [ 0.0000527200000000, 0.0000251000000000, 0.0000122300000000 ] - [ -0.0005144400000000, 0.0007496200000000, 0.0002608100000000 ] - [ 0.0000834000000000, -0.0000213000000000, -0.0003830900000000 ] - [ -0.0001030700000000, 0.0001646100000000, -0.0000558700000000 ] - [ 0.0159365100000000, -0.0326142400000000, 0.0147699900000000 ] - [ 0.0009335700000000, -0.0004852800000000, 0.0001521700000000 ] - [ 0.0002564300000000, 0.0003993500000000, -0.0007722000000000 ] - [ -0.0077141000000000, -0.0106395700000000, 0.0003007200000000 ] - [ 0.0000317000000000, -0.0000950100000000, -0.0000543600000000 ]- atom: 43 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0006246500000000, -0.0003072700000000, -0.0006682100000000 ] - [ 0.0000909500000000, 0.0000388000000000, -0.0001131300000000 ] - [ -0.0001777400000000, 0.0000797600000000, -0.0000276900000000 ] - [ -0.0001575100000000, -0.0000368200000000, 0.0000633300000000 ] - [ -0.0031317800000000, 0.0003027600000000, -0.0005049800000000 ] - [ 0.0000685100000000, 0.0002517900000000, 0.0001945200000000 ] - [ -0.0001097700000000, -0.0001014300000000, 0.0000459400000000 ] - [ -0.0000057900000000, 0.0000550800000000, 0.0001799800000000 ] - [ 0.0017175200000000, 0.0021158500000000, 0.0004962800000000 ] - [ 0.0000644400000000, 0.0002856000000000, -0.0000347300000000 ] - [ 0.0000256500000000, -0.0002102200000000, -0.0000227500000000 ] - [ 0.0000128900000000, 0.0000810200000000, 0.0001773800000000 ] - [ -0.0000429300000000, -0.0001041000000000, 0.0001649000000000 ] - [ 0.0003220000000000, -0.0000131000000000, 0.0003937400000000 ] - [ 0.0000758100000000, -0.0001071600000000, -0.0000937400000000 ] - [ 0.0000571300000000, 0.0001609000000000, 0.0001144900000000 ] - [ 0.0000786200000000, -0.0002276700000000, 0.0000635700000000 ] - [ 0.0001012800000000, 0.0002145500000000, 0.0001332700000000 ] - [ 0.0001554300000000, 0.0000202900000000, 0.0002614100000000 ] - [ 0.0002271700000000, 0.0000508400000000, 0.0001885300000000 ] - [ -0.0000344200000000, 0.0000433400000000, 0.0000584300000000 ] - [ -0.0000349500000000, -0.0000594600000000, 0.0001761600000000 ] - [ -0.0001363100000000, -0.0002409000000000, -0.0000021800000000 ] - [ -0.0001747000000000, 0.0002298800000000, 0.0000275200000000 ] - [ 0.0000853800000000, 0.0000175800000000, -0.0002145900000000 ] - [ 0.0000218600000000, 0.0000677200000000, -0.0001402700000000 ] - [ -0.0000677400000000, -0.0001095700000000, -0.0000130500000000 ] - [ -0.0000735400000000, 0.0001369100000000, 0.0001395700000000 ] - [ 0.0006962200000000, 0.0003041400000000, 0.0004772400000000 ] - [ 0.0000873900000000, -0.0000702600000000, -0.0001627100000000 ] - [ 0.0001456700000000, -0.0003186700000000, -0.0001725200000000 ] - [ -0.0000766300000000, -0.0000086000000000, 0.0002809100000000 ] - [ -0.0004822800000000, 0.0005804600000000, 0.0003183000000000 ] - [ 0.0000925000000000, -0.0000887200000000, 0.0000978700000000 ] - [ 0.0000547700000000, 0.0002308800000000, 0.0000930600000000 ] - [ -0.0000540100000000, -0.0002266100000000, -0.0000169300000000 ] - [ -0.0000483500000000, -0.0000398100000000, -0.0001223400000000 ] - [ -0.0001626900000000, 0.0001388500000000, 0.0001551000000000 ] - [ 0.0011232800000000, 0.0009430300000000, 0.0027517600000000 ] - [ -0.0001371800000000, 0.0000091700000000, -0.0000966600000000 ] - [ -0.0000867700000000, -0.0000617900000000, 0.0000245700000000 ] - [ 0.0007972600000000, -0.0016683300000000, 0.0039094600000000 ] - [ -0.0243573500000000, 0.0169713800000000, -0.0351982200000000 ] - [ 0.0002466700000000, 0.0000471500000000, 0.0000434800000000 ] - [ 0.0017670800000000, 0.0007734300000000, 0.0031286500000000 ] - [ -0.0002359000000000, -0.0002505500000000, 0.0001877400000000 ] - [ -0.0005771600000000, -0.0031335500000000, 0.0012183200000000 ] - [ 0.0000225100000000, -0.0002125500000000, -0.0000404200000000 ] - [ -0.0014299300000000, 0.0014280900000000, -0.0007625700000000 ] - [ 0.0001581300000000, 0.0000307000000000, 0.0000838700000000 ] - [ 0.0002159600000000, -0.0000542700000000, -0.0000392200000000 ] - [ 0.0002336700000000, -0.0001560400000000, 0.0001554500000000 ] - [ -0.0001003100000000, -0.0000787000000000, 0.0001038800000000 ] - [ 0.0000583300000000, 0.0001415200000000, 0.0002286700000000 ] - [ -0.0000861500000000, -0.0000430400000000, 0.0000282800000000 ] - [ 0.0000423600000000, 0.0006786500000000, -0.0004309600000000 ] - [ -0.0000575600000000, -0.0000082200000000, 0.0002094000000000 ] - [ -0.0006517200000000, -0.0014590000000000, -0.0004414000000000 ] - [ -0.0000716300000000, 0.0001481400000000, 0.0001783300000000 ] - [ 0.0000308600000000, -0.0001366800000000, 0.0002872200000000 ] - [ 0.0016296100000000, -0.0032358200000000, 0.0039323800000000 ] - [ 0.0003273400000000, 0.0000532900000000, -0.0001788900000000 ] - [ 0.0000115000000000, -0.0001549600000000, -0.0000600800000000 ] - [ 0.0001765700000000, 0.0003574300000000, -0.0003972700000000 ] - [ -0.0001393200000000, 0.0001480700000000, -0.0002082900000000 ] - [ -0.0004053900000000, 0.0004452900000000, -0.0011038400000000 ] - [ 0.0005700100000000, -0.0002516600000000, 0.0020460500000000 ] - [ -0.0001255900000000, -0.0000723700000000, -0.0002055300000000 ] - [ -0.0000321000000000, 0.0000908200000000, -0.0000890900000000 ] - [ -0.0008074400000000, -0.0002714500000000, -0.0010415800000000 ] - [ -0.0001594400000000, -0.0000567200000000, 0.0000344800000000 ] - [ -0.0002148100000000, -0.0000230800000000, 0.0000252900000000 ] - [ -0.0001045600000000, 0.0000198400000000, 0.0001153000000000 ] - [ 0.0000821000000000, 0.0001008300000000, -0.0002137900000000 ] - [ -0.0000468900000000, 0.0001530500000000, -0.0004464400000000 ] - [ -0.0001610800000000, -0.0000343600000000, -0.0000110600000000 ] - [ -0.0001858400000000, -0.0003016100000000, 0.0002175300000000 ] - [ 0.0000446700000000, 0.0000859800000000, -0.0000225500000000 ] - [ -0.0006753200000000, -0.0006362900000000, 0.0000649900000000 ] - [ 0.0001015400000000, -0.0000054800000000, -0.0000167800000000 ] - [ -0.0000082600000000, 0.0003574000000000, 0.0001761400000000 ] - [ -0.0001282600000000, 0.0002594300000000, -0.0010065300000000 ] - [ -0.0000470000000000, 0.0000520500000000, -0.0000755700000000 ] - [ 0.0107425800000000, -0.0133765100000000, 0.0113373000000000 ] - [ 0.0002977900000000, 0.0000427100000000, 0.0015205100000000 ] - [ 0.0001188700000000, 0.0003622700000000, -0.0001547100000000 ] - [ 0.0123176700000000, -0.0011247100000000, 0.0085256900000000 ] - [ 0.0000819000000000, -0.0000285700000000, -0.0002849200000000 ]- atom: 43 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ -0.0004945800000000, 0.0002922600000000, 0.0005396000000000 ] - [ 0.0000507300000000, -0.0000191100000000, -0.0000245800000000 ] - [ -0.0000817400000000, 0.0000931200000000, 0.0000955500000000 ] - [ -0.0001011200000000, -0.0001359800000000, 0.0000047900000000 ] - [ 0.0032276000000000, -0.0006456300000000, 0.0004778300000000 ] - [ 0.0000528300000000, 0.0000821600000000, -0.0002221000000000 ] - [ -0.0000686800000000, -0.0000669100000000, -0.0000331800000000 ] - [ -0.0001708100000000, 0.0001148300000000, -0.0001661700000000 ] - [ -0.0015479900000000, -0.0026776100000000, -0.0006225100000000 ] - [ 0.0000758100000000, 0.0002893500000000, -0.0000868300000000 ] - [ 0.0000260800000000, -0.0000611800000000, 0.0002696200000000 ] - [ 0.0000387000000000, 0.0001910800000000, 0.0000702800000000 ] - [ -0.0000663700000000, -0.0000674400000000, 0.0001386200000000 ] - [ -0.0004289400000000, 0.0001830000000000, -0.0000902900000000 ] - [ -0.0000023900000000, -0.0002513000000000, 0.0002615500000000 ] - [ 0.0000162900000000, 0.0001974800000000, 0.0000541800000000 ] - [ -0.0001062700000000, -0.0001779900000000, 0.0000702300000000 ] - [ -0.0001289500000000, 0.0001906000000000, 0.0000010400000000 ] - [ -0.0000229100000000, -0.0000234300000000, 0.0002263600000000 ] - [ -0.0000953500000000, -0.0000470400000000, 0.0002988800000000 ] - [ -0.0001369800000000, -0.0000188400000000, 0.0000855200000000 ] - [ -0.0001362800000000, 0.0000346200000000, -0.0000306100000000 ] - [ -0.0002627200000000, -0.0001632400000000, 0.0000381800000000 ] - [ -0.0002237600000000, 0.0001753600000000, 0.0000085700000000 ] - [ -0.0001150700000000, -0.0001765800000000, -0.0000557700000000 ] - [ -0.0000521800000000, 0.0000928700000000, -0.0001284400000000 ] - [ -0.0000977200000000, -0.0001166800000000, 0.0000744700000000 ] - [ -0.0000917100000000, 0.0000893300000000, -0.0000767700000000 ] - [ -0.0005571000000000, -0.0002078600000000, -0.0007821000000000 ] - [ 0.0000447400000000, -0.0000233900000000, -0.0001489500000000 ] - [ -0.0002038700000000, 0.0001426100000000, 0.0002067200000000 ] - [ 0.0000162300000000, 0.0001803200000000, -0.0002404000000000 ] - [ 0.0004879300000000, -0.0003756400000000, -0.0004448300000000 ] - [ -0.0000961900000000, -0.0001265200000000, -0.0002171200000000 ] - [ 0.0000427100000000, 0.0000378900000000, 0.0000359300000000 ] - [ 0.0001514400000000, -0.0000406000000000, 0.0001464700000000 ] - [ -0.0000219000000000, 0.0000325200000000, -0.0001046600000000 ] - [ 0.0000938000000000, -0.0001302500000000, -0.0003804800000000 ] - [ -0.0012340300000000, -0.0009763000000000, -0.0027362200000000 ] - [ 0.0000002600000000, 0.0000503700000000, 0.0000334800000000 ] - [ 0.0000113300000000, -0.0000127400000000, -0.0000551800000000 ] - [ -0.0008792000000000, 0.0018061900000000, -0.0040286000000000 ] - [ 0.0250144200000000, -0.0171802900000000, 0.0350967300000000 ] - [ 0.0002600800000000, 0.0000231800000000, -0.0000393800000000 ] - [ -0.0018101800000000, -0.0007131600000000, -0.0033411800000000 ] - [ 0.0002360600000000, 0.0001511900000000, -0.0003394800000000 ] - [ 0.0006660200000000, 0.0035294400000000, -0.0013517500000000 ] - [ 0.0000611300000000, -0.0002006200000000, -0.0000857700000000 ] - [ 0.0017148100000000, -0.0016202100000000, 0.0006868100000000 ] - [ 0.0001249400000000, 0.0001759700000000, -0.0001591500000000 ] - [ 0.0001023800000000, 0.0000297000000000, 0.0001993200000000 ] - [ 0.0000838200000000, 0.0001799200000000, 0.0000062300000000 ] - [ -0.0001754400000000, 0.0000068600000000, 0.0001206500000000 ] - [ -0.0003334900000000, -0.0000707200000000, -0.0000029700000000 ] - [ -0.0000248000000000, -0.0000594000000000, -0.0000190500000000 ] - [ -0.0001578900000000, -0.0005874700000000, 0.0004350100000000 ] - [ 0.0001930300000000, -0.0000556700000000, -0.0002263900000000 ] - [ 0.0007908300000000, 0.0015329900000000, 0.0004110100000000 ] - [ -0.0000339300000000, 0.0001583000000000, 0.0000527200000000 ] - [ -0.0001371400000000, -0.0001719400000000, -0.0000543400000000 ] - [ -0.0013801600000000, 0.0027821200000000, -0.0040006000000000 ] - [ -0.0001559800000000, 0.0002559400000000, -0.0000361400000000 ] - [ -0.0000514800000000, -0.0000441200000000, -0.0000846600000000 ] - [ -0.0002158000000000, -0.0001578200000000, 0.0002497600000000 ] - [ -0.0001932100000000, 0.0000690300000000, -0.0001712300000000 ] - [ 0.0000613600000000, -0.0006583400000000, 0.0007315900000000 ] - [ -0.0007533400000000, 0.0004028600000000, -0.0020880500000000 ] - [ -0.0000612200000000, -0.0000857000000000, 0.0001715200000000 ] - [ 0.0001039700000000, 0.0000514600000000, -0.0000349800000000 ] - [ 0.0008691600000000, 0.0001390900000000, 0.0009243500000000 ] - [ 0.0001854000000000, 0.0000903700000000, -0.0001008300000000 ] - [ 0.0002401000000000, -0.0000130300000000, -0.0000943400000000 ] - [ 0.0002969900000000, -0.0000493900000000, -0.0000835600000000 ] - [ 0.0001138800000000, -0.0000691200000000, 0.0002398400000000 ] - [ 0.0003623600000000, -0.0000889000000000, 0.0002491000000000 ] - [ 0.0004791200000000, -0.0000286900000000, -0.0001836600000000 ] - [ -0.0000067600000000, 0.0000487800000000, -0.0001166700000000 ] - [ -0.0002393700000000, 0.0001657800000000, 0.0001231100000000 ] - [ 0.0006803400000000, 0.0007868700000000, 0.0000060000000000 ] - [ -0.0000873700000000, -0.0001542600000000, 0.0000815500000000 ] - [ 0.0001677200000000, -0.0004576000000000, -0.0002781500000000 ] - [ 0.0002835800000000, -0.0001550900000000, 0.0008891200000000 ] - [ -0.0001588800000000, 0.0000124300000000, 0.0001239200000000 ] - [ -0.0110795600000000, 0.0135499900000000, -0.0112491800000000 ] - [ -0.0003711100000000, -0.0002352400000000, -0.0014858400000000 ] - [ -0.0001789200000000, -0.0001658900000000, 0.0002378200000000 ] - [ -0.0123450300000000, 0.0010826200000000, -0.0082948300000000 ] - [ -0.0000520500000000, 0.0000641000000000, 0.0004239500000000 ]- atom: 45 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ -0.0004449200000000, -0.0006925600000000, -0.0004360800000000 ] - [ 0.0001032300000000, 0.0000411500000000, -0.0000148700000000 ] - [ -0.0001711500000000, 0.0000617800000000, 0.0000625900000000 ] - [ -0.0001949000000000, -0.0000384000000000, 0.0000343300000000 ] - [ 0.0011707000000000, 0.0001699100000000, -0.0038968400000000 ] - [ 0.0005210000000000, 0.0005765500000000, 0.0003736900000000 ] - [ -0.0001567900000000, -0.0000294100000000, -0.0000677100000000 ] - [ 0.0032886200000000, -0.0015361300000000, 0.0005174200000000 ] - [ 0.0040619100000000, -0.0012663600000000, -0.0013023600000000 ] - [ 0.0000013000000000, 0.0003633800000000, -0.0000955400000000 ] - [ 0.0002934700000000, -0.0005345800000000, -0.0000289400000000 ] - [ -0.0000006300000000, -0.0001932800000000, 0.0002701800000000 ] - [ -0.0000474300000000, -0.0001193100000000, 0.0001606700000000 ] - [ 0.0000949900000000, -0.0000094800000000, 0.0001324200000000 ] - [ 0.0001644700000000, -0.0003137400000000, 0.0000330500000000 ] - [ 0.0000399100000000, 0.0001467000000000, 0.0000553100000000 ] - [ 0.0000915500000000, -0.0002193600000000, 0.0000917700000000 ] - [ 0.0002214800000000, 0.0002149400000000, 0.0001627600000000 ] - [ 0.0001740700000000, -0.0000003900000000, 0.0002024200000000 ] - [ 0.0003474900000000, 0.0000112100000000, 0.0001486800000000 ] - [ 0.0001147200000000, 0.0000973300000000, 0.0001791900000000 ] - [ -0.0000536100000000, -0.0000051000000000, 0.0000730600000000 ] - [ -0.0001274100000000, -0.0002967300000000, 0.0000220400000000 ] - [ -0.0001657400000000, 0.0001817500000000, 0.0000033000000000 ] - [ 0.0000279500000000, -0.0000651000000000, -0.0001538500000000 ] - [ 0.0000866100000000, 0.0000208900000000, -0.0001888700000000 ] - [ -0.0000713100000000, -0.0001307700000000, 0.0000646200000000 ] - [ -0.0000566800000000, 0.0001194600000000, 0.0000192000000000 ] - [ 0.0000884100000000, 0.0000740400000000, -0.0001381800000000 ] - [ 0.0002179700000000, -0.0001625500000000, -0.0001329700000000 ] - [ -0.0000082000000000, -0.0000945400000000, 0.0001239500000000 ] - [ 0.0002384400000000, 0.0003353900000000, -0.0002111300000000 ] - [ 0.0030108600000000, -0.0012031600000000, 0.0010026700000000 ] - [ 0.0000387700000000, -0.0000560300000000, -0.0000780100000000 ] - [ 0.0000490500000000, 0.0001299500000000, 0.0000482700000000 ] - [ 0.0000552700000000, -0.0002192000000000, 0.0000743400000000 ] - [ -0.0001240800000000, -0.0001212300000000, -0.0000042200000000 ] - [ -0.0000530700000000, 0.0000416100000000, -0.0001037400000000 ] - [ -0.0000553900000000, -0.0000014800000000, -0.0000519800000000 ] - [ 0.0005264800000000, -0.0005864100000000, 0.0002036700000000 ] - [ -0.0000884200000000, -0.0000614300000000, -0.0000073100000000 ] - [ -0.0006005300000000, 0.0026965000000000, 0.0000707700000000 ] - [ -0.0003348900000000, 0.0015434900000000, 0.0017987800000000 ] - [ 0.0000523900000000, -0.0001612300000000, -0.0002356400000000 ] - [ -0.0363279900000000, 0.0276533700000000, 0.0143742100000000 ] - [ 0.0000041100000000, -0.0000306400000000, -0.0001094400000000 ] - [ -0.0001000200000000, 0.0001949900000000, 0.0000274600000000 ] - [ 0.0000474500000000, -0.0003301300000000, -0.0000779200000000 ] - [ -0.0000191100000000, -0.0001266100000000, -0.0000903200000000 ] - [ 0.0001399500000000, -0.0000115200000000, 0.0000200100000000 ] - [ 0.0002276700000000, -0.0001117900000000, -0.0000753800000000 ] - [ 0.0002757100000000, -0.0001859700000000, 0.0001527500000000 ] - [ -0.0001212900000000, -0.0000125300000000, 0.0001392600000000 ] - [ 0.0001088900000000, 0.0001798800000000, 0.0001551800000000 ] - [ -0.0000736500000000, -0.0000943700000000, -0.0000379200000000 ] - [ -0.0001698500000000, -0.0000055500000000, -0.0000303000000000 ] - [ -0.0003852900000000, 0.0008535900000000, -0.0013610300000000 ] - [ -0.0004723600000000, -0.0001596200000000, 0.0007208700000000 ] - [ -0.0000520700000000, 0.0001379300000000, 0.0001162900000000 ] - [ 0.0001909100000000, -0.0016597700000000, 0.0021983500000000 ] - [ 0.0001110600000000, -0.0001778800000000, -0.0001789800000000 ] - [ 0.0037126500000000, -0.0012077200000000, -0.0029485000000000 ] - [ 0.0000567400000000, -0.0000013200000000, -0.0000623000000000 ] - [ 0.0002611400000000, 0.0000922100000000, 0.0000095300000000 ] - [ -0.0001048400000000, 0.0003478600000000, -0.0003288600000000 ] - [ -0.0010234700000000, 0.0006209600000000, -0.0000870400000000 ] - [ -0.0008678400000000, 0.0006926400000000, 0.0004268000000000 ] - [ 0.0000190700000000, 0.0003953700000000, 0.0000831500000000 ] - [ -0.0000470000000000, -0.0000523900000000, 0.0000079300000000 ] - [ 0.0010141900000000, 0.0002005000000000, 0.0001949800000000 ] - [ -0.0002057900000000, 0.0000593800000000, -0.0000781000000000 ] - [ -0.0002363100000000, -0.0000191600000000, 0.0000648400000000 ] - [ 0.0000215300000000, -0.0001596500000000, -0.0000432900000000 ] - [ -0.0003058500000000, -0.0000662700000000, -0.0000174100000000 ] - [ 0.0000463400000000, -0.0000295500000000, -0.0000895400000000 ] - [ -0.0008110100000000, 0.0001650700000000, 0.0001397700000000 ] - [ -0.0000312100000000, 0.0000227500000000, -0.0000187000000000 ] - [ -0.0000959800000000, 0.0001913400000000, 0.0000687100000000 ] - [ 0.0000132700000000, 0.0000359500000000, 0.0000537000000000 ] - [ -0.0003279500000000, 0.0001461700000000, 0.0001576500000000 ] - [ 0.0001531100000000, 0.0007098000000000, -0.0007814500000000 ] - [ -0.0000678200000000, -0.0001263800000000, 0.0002389300000000 ] - [ 0.0000354800000000, 0.0002718500000000, 0.0000467200000000 ] - [ 0.0015035600000000, -0.0007236100000000, -0.0001897200000000 ] - [ 0.0098387100000000, -0.0162889400000000, 0.0004410000000000 ] - [ 0.0001754700000000, 0.0001321500000000, -0.0001720100000000 ] - [ 0.0113582800000000, -0.0102837100000000, -0.0124125300000000 ] - [ 0.0002054300000000, 0.0000532000000000, 0.0005717700000000 ]- atom: 45 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0005988400000000, 0.0006900400000000, 0.0003053600000000 ] - [ 0.0000378200000000, -0.0000214600000000, -0.0001214400000000 ] - [ -0.0000868700000000, 0.0001103200000000, 0.0000072200000000 ] - [ -0.0000635400000000, -0.0001329800000000, 0.0000353900000000 ] - [ -0.0010582400000000, -0.0005142900000000, 0.0038617300000000 ] - [ -0.0004048000000000, -0.0002504000000000, -0.0004101000000000 ] - [ -0.0000205600000000, -0.0001383400000000, 0.0000804500000000 ] - [ -0.0035256400000000, 0.0017452400000000, -0.0005340900000000 ] - [ -0.0040068000000000, 0.0006993300000000, 0.0012328800000000 ] - [ 0.0001379100000000, 0.0002128600000000, -0.0000252700000000 ] - [ -0.0002437500000000, 0.0002618900000000, 0.0002766300000000 ] - [ 0.0000507700000000, 0.0004626300000000, -0.0000205400000000 ] - [ -0.0000606000000000, -0.0000524700000000, 0.0001424100000000 ] - [ -0.0002025800000000, 0.0001803700000000, 0.0001714800000000 ] - [ -0.0000903700000000, -0.0000441100000000, 0.0001363500000000 ] - [ 0.0000339400000000, 0.0002119300000000, 0.0001157100000000 ] - [ -0.0001153800000000, -0.0001869000000000, 0.0000455200000000 ] - [ -0.0002458500000000, 0.0001911700000000, -0.0000255100000000 ] - [ -0.0000403500000000, -0.0000044200000000, 0.0002830900000000 ] - [ -0.0002107100000000, -0.0000068700000000, 0.0003356800000000 ] - [ -0.0002829900000000, -0.0000728300000000, -0.0000324800000000 ] - [ -0.0001163900000000, -0.0000198200000000, 0.0000721900000000 ] - [ -0.0002691200000000, -0.0001090300000000, 0.0000148400000000 ] - [ -0.0002309700000000, 0.0002237100000000, 0.0000336000000000 ] - [ -0.0000580000000000, -0.0000942000000000, -0.0001159100000000 ] - [ -0.0001156600000000, 0.0001381500000000, -0.0000809200000000 ] - [ -0.0000937100000000, -0.0000983200000000, -0.0000000800000000 ] - [ -0.0001084000000000, 0.0001094100000000, 0.0000442200000000 ] - [ 0.0000407300000000, 0.0000159800000000, -0.0001738000000000 ] - [ -0.0000867900000000, 0.0000710300000000, -0.0001793000000000 ] - [ -0.0000539800000000, -0.0000760100000000, -0.0000854100000000 ] - [ -0.0002977500000000, -0.0001623500000000, 0.0002448500000000 ] - [ -0.0029346100000000, 0.0013909500000000, -0.0010978500000000 ] - [ -0.0000473900000000, -0.0001591600000000, -0.0000447200000000 ] - [ 0.0000469400000000, 0.0001359500000000, 0.0000805200000000 ] - [ 0.0000407900000000, -0.0000484000000000, 0.0000545100000000 ] - [ 0.0000540700000000, 0.0001123900000000, -0.0002190400000000 ] - [ -0.0000162700000000, -0.0000338400000000, -0.0001208600000000 ] - [ -0.0000813200000000, -0.0000599000000000, -0.0000137200000000 ] - [ -0.0006558300000000, 0.0006402100000000, -0.0002680200000000 ] - [ 0.0000116000000000, -0.0000139900000000, -0.0000259100000000 ] - [ 0.0005248100000000, -0.0025987200000000, -0.0001123900000000 ] - [ 0.0008404700000000, -0.0016145900000000, -0.0017787100000000 ] - [ 0.0004505600000000, 0.0002297700000000, 0.0002376900000000 ] - [ 0.0361955900000000, -0.0277910700000000, -0.0146849600000000 ] - [ 0.0000014500000000, -0.0000656100000000, -0.0000462300000000 ] - [ 0.0001882000000000, 0.0002205500000000, -0.0001559000000000 ] - [ 0.0000415200000000, -0.0000867300000000, -0.0000503300000000 ] - [ 0.0003039000000000, -0.0000788300000000, 0.0000147900000000 ] - [ 0.0001447900000000, 0.0002152400000000, -0.0000955200000000 ] - [ 0.0000887500000000, 0.0000886100000000, 0.0002359300000000 ] - [ 0.0000415300000000, 0.0002078800000000, 0.0000079800000000 ] - [ -0.0001525200000000, -0.0000563600000000, 0.0000852100000000 ] - [ -0.0003812300000000, -0.0001088400000000, 0.0000688400000000 ] - [ -0.0000391900000000, -0.0000107100000000, 0.0000486200000000 ] - [ 0.0000553700000000, 0.0001092600000000, 0.0000411400000000 ] - [ 0.0005148300000000, -0.0009218000000000, 0.0013510400000000 ] - [ 0.0006059800000000, 0.0002329400000000, -0.0007539100000000 ] - [ -0.0000516900000000, 0.0001675100000000, 0.0001180000000000 ] - [ -0.0003015800000000, 0.0013386200000000, -0.0019580400000000 ] - [ 0.0000597500000000, -0.0001339700000000, -0.0000342900000000 ] - [ -0.0034119200000000, 0.0014476600000000, 0.0026009500000000 ] - [ -0.0000950800000000, -0.0001983700000000, -0.0000834200000000 ] - [ -0.0002976100000000, 0.0001103800000000, -0.0001531800000000 ] - [ -0.0002340800000000, -0.0001316600000000, -0.0000523500000000 ] - [ 0.0006940100000000, -0.0008294900000000, -0.0002860100000000 ] - [ 0.0006868500000000, -0.0005240900000000, -0.0004556100000000 ] - [ -0.0002097300000000, -0.0005550800000000, -0.0001146200000000 ] - [ 0.0001156100000000, 0.0001959800000000, -0.0001326500000000 ] - [ -0.0009905800000000, -0.0003419900000000, -0.0003197600000000 ] - [ 0.0002360200000000, -0.0000229700000000, 0.0000104600000000 ] - [ 0.0002630300000000, -0.0000184000000000, -0.0001327100000000 ] - [ 0.0001752700000000, 0.0001304300000000, 0.0000744600000000 ] - [ 0.0005007700000000, 0.0000938500000000, 0.0000501200000000 ] - [ 0.0002733100000000, 0.0000896600000000, -0.0001032500000000 ] - [ 0.0011181100000000, -0.0002207800000000, -0.0003280600000000 ] - [ -0.0001605500000000, -0.0002785200000000, 0.0001209500000000 ] - [ -0.0000981200000000, 0.0000662100000000, 0.0000332900000000 ] - [ -0.0000021500000000, 0.0001251800000000, 0.0000112100000000 ] - [ 0.0003379300000000, -0.0003050600000000, -0.0000919800000000 ] - [ 0.0000103600000000, -0.0008007100000000, 0.0006697500000000 ] - [ 0.0002310900000000, 0.0002226700000000, -0.0003385400000000 ] - [ -0.0002364400000000, -0.0002044000000000, 0.0000060500000000 ] - [ -0.0017169100000000, 0.0006487500000000, 0.0002342900000000 ] - [ -0.0098160800000000, 0.0162114700000000, -0.0003759400000000 ] - [ -0.0002369700000000, 0.0000620900000000, 0.0002512200000000 ] - [ -0.0113225800000000, 0.0103964200000000, 0.0128165400000000 ] - [ -0.0001730200000000, -0.0000158300000000, -0.0004298300000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007429900000000, 0.0004883600000000, 0.0004278100000000 ] - [ 0.0000946300000000, -0.0000349600000000, -0.0001415000000000 ] - [ -0.0001179100000000, 0.0001118400000000, 0.0000292200000000 ] - [ -0.0000331200000000, -0.0001538700000000, 0.0000228600000000 ] - [ -0.0003162500000000, -0.0011065600000000, 0.0041238300000000 ] - [ 0.0010834200000000, 0.0016612000000000, 0.0019048500000000 ] - [ -0.0000287700000000, -0.0001146700000000, 0.0000466900000000 ] - [ -0.0019175400000000, -0.0006626600000000, -0.0006207900000000 ] - [ 0.0008809500000000, -0.0013470700000000, -0.0012830000000000 ] - [ 0.0001562000000000, 0.0001673500000000, -0.0000133200000000 ] - [ -0.0002993700000000, 0.0005477600000000, 0.0003830900000000 ] - [ 0.0001329300000000, 0.0008122800000000, -0.0001135900000000 ] - [ -0.0000472300000000, -0.0000179300000000, 0.0001403900000000 ] - [ -0.0001840100000000, -0.0000125300000000, 0.0001535400000000 ] - [ -0.0000966500000000, -0.0002878300000000, 0.0000794900000000 ] - [ 0.0000800100000000, 0.0002386000000000, 0.0001422100000000 ] - [ -0.0001003700000000, -0.0001734300000000, 0.0000561500000000 ] - [ -0.0001876800000000, 0.0001794900000000, -0.0000023700000000 ] - [ -0.0000123000000000, -0.0000181600000000, 0.0002746000000000 ] - [ -0.0001164700000000, 0.0000197100000000, 0.0003007900000000 ] - [ -0.0002059100000000, -0.0000220400000000, 0.0000008500000000 ] - [ -0.0000866800000000, -0.0000699000000000, 0.0000739500000000 ] - [ -0.0002811800000000, -0.0000387000000000, 0.0000099600000000 ] - [ -0.0002016200000000, 0.0002617100000000, 0.0000278300000000 ] - [ -0.0000344200000000, -0.0000899300000000, -0.0001173800000000 ] - [ -0.0001386000000000, 0.0001789300000000, -0.0000408500000000 ] - [ -0.0000849900000000, -0.0000608400000000, -0.0000120800000000 ] - [ -0.0000922600000000, 0.0001020000000000, 0.0000058400000000 ] - [ 0.0000606400000000, -0.0000000300000000, -0.0001698700000000 ] - [ -0.0000925200000000, 0.0000420500000000, -0.0001660800000000 ] - [ -0.0001242200000000, -0.0000626800000000, -0.0000736300000000 ] - [ -0.0002477900000000, -0.0001265700000000, 0.0002169600000000 ] - [ -0.0014362100000000, 0.0008328500000000, -0.0005087900000000 ] - [ -0.0000412500000000, -0.0002165600000000, -0.0000726800000000 ] - [ 0.0000470000000000, 0.0001712000000000, 0.0000791800000000 ] - [ 0.0001219700000000, 0.0001271100000000, 0.0000975500000000 ] - [ 0.0000191800000000, 0.0001688700000000, -0.0002163900000000 ] - [ 0.0000841600000000, -0.0000870300000000, -0.0002203000000000 ] - [ -0.0000139400000000, -0.0000584100000000, 0.0000317900000000 ] - [ -0.0011040000000000, 0.0010383900000000, -0.0002757500000000 ] - [ 0.0000078100000000, 0.0000642200000000, -0.0001058800000000 ] - [ 0.0015971600000000, 0.0033148400000000, 0.0006246700000000 ] - [ 0.0009487000000000, 0.0009669800000000, 0.0007385000000000 ] - [ 0.0004324000000000, 0.0001787000000000, 0.0002026600000000 ] - [ 0.0282362100000000, -0.0751743700000000, -0.0020215500000000 ] - [ -0.0000154800000000, -0.0002152500000000, -0.0001760800000000 ] - [ 0.0001204600000000, 0.0002728000000000, 0.0000525100000000 ] - [ 0.0000015600000000, 0.0000382900000000, -0.0000612000000000 ] - [ 0.0002611000000000, 0.0000825700000000, 0.0000894900000000 ] - [ 0.0000718300000000, 0.0003975600000000, -0.0001964200000000 ] - [ 0.0001348300000000, 0.0001333400000000, 0.0002519400000000 ] - [ 0.0000228100000000, 0.0003162900000000, -0.0000379900000000 ] - [ -0.0001228800000000, -0.0001016000000000, 0.0000747200000000 ] - [ -0.0003472000000000, -0.0001452100000000, 0.0000909700000000 ] - [ -0.0000501600000000, 0.0000548300000000, 0.0000484700000000 ] - [ 0.0001284000000000, 0.0002071400000000, 0.0000688600000000 ] - [ 0.0003541200000000, -0.0007310800000000, -0.0005496400000000 ] - [ 0.0003242100000000, 0.0018837200000000, -0.0045157600000000 ] - [ -0.0000594000000000, 0.0001862200000000, 0.0000894800000000 ] - [ -0.0001003300000000, 0.0037358700000000, -0.0037294900000000 ] - [ 0.0000954400000000, 0.0001448600000000, -0.0000530700000000 ] - [ 0.0000911200000000, -0.0001754300000000, -0.0004226000000000 ] - [ -0.0000777200000000, -0.0003081500000000, -0.0000984100000000 ] - [ -0.0003715900000000, -0.0003584600000000, 0.0000046800000000 ] - [ -0.0002690500000000, -0.0003389900000000, 0.0000599800000000 ] - [ -0.0000395900000000, -0.0013786100000000, -0.0000933200000000 ] - [ 0.0006684300000000, -0.0018884400000000, -0.0011560000000000 ] - [ -0.0002930800000000, -0.0011981300000000, -0.0002595200000000 ] - [ 0.0000515400000000, 0.0002411200000000, -0.0001433200000000 ] - [ -0.0003363600000000, 0.0015831200000000, 0.0006490000000000 ] - [ 0.0001953600000000, -0.0000370000000000, 0.0000055600000000 ] - [ 0.0002354200000000, -0.0001415500000000, -0.0001619200000000 ] - [ 0.0001479100000000, 0.0000626700000000, 0.0001206100000000 ] - [ 0.0003453800000000, 0.0001459800000000, 0.0000390400000000 ] - [ 0.0002324900000000, 0.0002080900000000, -0.0001016300000000 ] - [ 0.0008794000000000, -0.0000706100000000, -0.0003364400000000 ] - [ -0.0002076300000000, -0.0004783100000000, 0.0000871800000000 ] - [ -0.0001719800000000, -0.0000721900000000, 0.0000880600000000 ] - [ -0.0000530300000000, 0.0001180800000000, -0.0000324300000000 ] - [ 0.0005108400000000, -0.0004432700000000, -0.0001259700000000 ] - [ 0.0005092500000000, -0.0008523400000000, 0.0007217300000000 ] - [ 0.0001146800000000, 0.0002919100000000, -0.0002262800000000 ] - [ -0.0002123100000000, -0.0003565100000000, 0.0001147700000000 ] - [ -0.0000086800000000, 0.0017681300000000, 0.0009825800000000 ] - [ -0.0178216600000000, 0.0484496600000000, -0.0086392100000000 ] - [ -0.0006476000000000, -0.0000939200000000, 0.0008598600000000 ] - [ -0.0099927200000000, 0.0169494600000000, 0.0134065100000000 ] - [ 0.0001047500000000, 0.0003756600000000, -0.0008087700000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008625200000000, -0.0005001600000000, -0.0005450800000000 ] - [ 0.0000469100000000, 0.0000541200000000, 0.0000046800000000 ] - [ -0.0001411600000000, 0.0000608400000000, 0.0000394800000000 ] - [ -0.0002270600000000, -0.0000190100000000, 0.0000454100000000 ] - [ 0.0004491200000000, 0.0007538500000000, -0.0041370100000000 ] - [ -0.0009826000000000, -0.0013474600000000, -0.0019640500000000 ] - [ -0.0001503300000000, -0.0000533600000000, -0.0000342100000000 ] - [ 0.0017391800000000, 0.0008095900000000, 0.0006260600000000 ] - [ -0.0007161000000000, 0.0007712400000000, 0.0011472500000000 ] - [ -0.0000163200000000, 0.0004099500000000, -0.0001080200000000 ] - [ 0.0003504100000000, -0.0008177700000000, -0.0001348100000000 ] - [ -0.0000826600000000, -0.0005417200000000, 0.0003609600000000 ] - [ -0.0000636500000000, -0.0001539100000000, 0.0001630800000000 ] - [ 0.0000762700000000, 0.0001803900000000, 0.0001509800000000 ] - [ 0.0001710600000000, -0.0000719400000000, 0.0000880500000000 ] - [ -0.0000085500000000, 0.0001197600000000, 0.0000263300000000 ] - [ 0.0000723600000000, -0.0002321800000000, 0.0000780000000000 ] - [ 0.0001587300000000, 0.0002254800000000, 0.0001364800000000 ] - [ 0.0001438500000000, 0.0000148400000000, 0.0002135000000000 ] - [ 0.0002477600000000, -0.0000162300000000, 0.0001872900000000 ] - [ 0.0000347300000000, 0.0000479500000000, 0.0001444400000000 ] - [ -0.0000859400000000, 0.0000461000000000, 0.0000713400000000 ] - [ -0.0001183700000000, -0.0003670600000000, 0.0000268700000000 ] - [ -0.0001984300000000, 0.0001418900000000, 0.0000086900000000 ] - [ 0.0000026700000000, -0.0000708900000000, -0.0001517700000000 ] - [ 0.0001088600000000, -0.0000193400000000, -0.0002288000000000 ] - [ -0.0000808100000000, -0.0001654000000000, 0.0000750100000000 ] - [ -0.0000735400000000, 0.0001232900000000, 0.0000567000000000 ] - [ 0.0000695100000000, 0.0000935300000000, -0.0001432900000000 ] - [ 0.0002251500000000, -0.0001353700000000, -0.0001461500000000 ] - [ 0.0000650300000000, -0.0001103800000000, 0.0001117100000000 ] - [ 0.0001862100000000, 0.0002987300000000, -0.0001781800000000 ] - [ 0.0014299900000000, -0.0006116300000000, 0.0003884200000000 ] - [ 0.0000360900000000, 0.0000018600000000, -0.0000469800000000 ] - [ 0.0000511200000000, 0.0000945200000000, 0.0000511700000000 ] - [ -0.0000237800000000, -0.0003963100000000, 0.0000333300000000 ] - [ -0.0000880700000000, -0.0001770200000000, -0.0000098700000000 ] - [ -0.0001538800000000, 0.0000929100000000, -0.0000066400000000 ] - [ -0.0001244600000000, -0.0000011200000000, -0.0000938100000000 ] - [ 0.0009894600000000, -0.0010027900000000, 0.0002158300000000 ] - [ -0.0000825400000000, -0.0001393000000000, 0.0000767200000000 ] - [ -0.0016345100000000, -0.0031732800000000, -0.0006581700000000 ] - [ -0.0004464400000000, -0.0010395300000000, -0.0007485300000000 ] - [ 0.0000738500000000, -0.0001083700000000, -0.0001999200000000 ] - [ -0.0272224100000000, 0.0731768100000000, 0.0023365900000000 ] - [ 0.0000185400000000, 0.0001225200000000, 0.0000236600000000 ] - [ -0.0000359300000000, 0.0001334300000000, -0.0001763600000000 ] - [ 0.0000827800000000, -0.0004532600000000, -0.0000648400000000 ] - [ 0.0000223900000000, -0.0002924200000000, -0.0001679000000000 ] - [ 0.0002112500000000, -0.0001901800000000, 0.0001206700000000 ] - [ 0.0001828100000000, -0.0001607800000000, -0.0000911600000000 ] - [ 0.0002949200000000, -0.0002940200000000, 0.0002015800000000 ] - [ -0.0001545200000000, 0.0000309700000000, 0.0001510700000000 ] - [ 0.0000727600000000, 0.0002184100000000, 0.0001349500000000 ] - [ -0.0000596100000000, -0.0001586600000000, -0.0000399600000000 ] - [ -0.0002413500000000, -0.0001063500000000, -0.0000604800000000 ] - [ -0.0002141500000000, 0.0006590900000000, 0.0005419200000000 ] - [ -0.0001865100000000, -0.0018311100000000, 0.0045426500000000 ] - [ -0.0000459300000000, 0.0001204000000000, 0.0001420200000000 ] - [ -0.0000069000000000, -0.0039874000000000, 0.0039226700000000 ] - [ 0.0000743700000000, -0.0004608600000000, -0.0001570500000000 ] - [ 0.0000768800000000, 0.0004835500000000, 0.0002098600000000 ] - [ 0.0000371100000000, 0.0001111900000000, -0.0000461600000000 ] - [ 0.0003300900000000, 0.0005611800000000, -0.0001514400000000 ] - [ -0.0000612000000000, 0.0005571500000000, -0.0004377200000000 ] - [ -0.0003056500000000, 0.0011728900000000, -0.0002800700000000 ] - [ -0.0008537300000000, 0.0020320800000000, 0.0011098600000000 ] - [ 0.0001096500000000, 0.0010464600000000, 0.0002312800000000 ] - [ 0.0000205600000000, -0.0000981400000000, 0.0000199000000000 ] - [ 0.0003944200000000, -0.0017183400000000, -0.0007613200000000 ] - [ -0.0001660100000000, 0.0000732200000000, -0.0000723600000000 ] - [ -0.0002078500000000, 0.0001050000000000, 0.0000943100000000 ] - [ 0.0000465000000000, -0.0000945800000000, -0.0000882300000000 ] - [ -0.0001486900000000, -0.0001154800000000, -0.0000079600000000 ] - [ 0.0000835700000000, -0.0001496200000000, -0.0000913700000000 ] - [ -0.0005632100000000, 0.0000058800000000, 0.0001413400000000 ] - [ 0.0000136000000000, 0.0002259800000000, 0.0000151400000000 ] - [ -0.0000251400000000, 0.0003302300000000, 0.0000137300000000 ] - [ 0.0000634700000000, 0.0000420300000000, 0.0001002100000000 ] - [ -0.0005067500000000, 0.0002868800000000, 0.0001929700000000 ] - [ -0.0003617200000000, 0.0007526100000000, -0.0008344300000000 ] - [ 0.0000478300000000, -0.0001928700000000, 0.0001187100000000 ] - [ 0.0000065000000000, 0.0004211200000000, -0.0000650200000000 ] - [ -0.0001841300000000, -0.0017826700000000, -0.0009025500000000 ] - [ 0.0168890000000000, -0.0466836300000000, 0.0080474700000000 ] - [ 0.0005949100000000, 0.0002897000000000, -0.0007859500000000 ] - [ 0.0098645900000000, -0.0169088100000000, -0.0130790900000000 ] - [ -0.0000786900000000, -0.0003489100000000, 0.0009563700000000 ]- atom: 45 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ -0.0002556900000000, 0.0001915000000000, -0.0004019500000000 ] - [ 0.0000214100000000, -0.0000192700000000, -0.0000790200000000 ] - [ -0.0001126100000000, 0.0001189900000000, -0.0000310300000000 ] - [ -0.0000816600000000, -0.0001071600000000, 0.0000480600000000 ] - [ -0.0014274800000000, 0.0007230700000000, 0.0054393500000000 ] - [ 0.0010248000000000, 0.0014806900000000, 0.0012778400000000 ] - [ -0.0000694200000000, -0.0001479900000000, 0.0001399400000000 ] - [ 0.0024137200000000, -0.0014733200000000, 0.0006450500000000 ] - [ -0.0028485800000000, -0.0004337500000000, 0.0003244900000000 ] - [ 0.0001305500000000, 0.0003291700000000, 0.0000085700000000 ] - [ -0.0001154800000000, 0.0001366400000000, 0.0002658000000000 ] - [ 0.0000844400000000, 0.0002505800000000, 0.0001680400000000 ] - [ -0.0000444900000000, -0.0000637300000000, 0.0001776000000000 ] - [ -0.0001620400000000, 0.0001018200000000, 0.0000226200000000 ] - [ 0.0000099100000000, -0.0001553400000000, -0.0000155600000000 ] - [ 0.0000512400000000, 0.0001972400000000, 0.0001478600000000 ] - [ -0.0000583900000000, -0.0001991700000000, 0.0000538800000000 ] - [ -0.0000569300000000, 0.0001757000000000, 0.0000998800000000 ] - [ -0.0000382900000000, 0.0000160100000000, 0.0003067900000000 ] - [ -0.0000209000000000, -0.0000099500000000, 0.0002529900000000 ] - [ -0.0001622300000000, -0.0000506700000000, 0.0000179100000000 ] - [ -0.0001005700000000, -0.0000136600000000, 0.0000949100000000 ] - [ -0.0002210600000000, -0.0001693900000000, 0.0000104400000000 ] - [ -0.0002225500000000, 0.0001914100000000, 0.0000379100000000 ] - [ -0.0000455800000000, -0.0001104500000000, -0.0000676300000000 ] - [ -0.0000580700000000, 0.0000982700000000, -0.0001390700000000 ] - [ -0.0000826000000000, -0.0001138900000000, 0.0000348300000000 ] - [ -0.0000963300000000, 0.0000935600000000, 0.0000243700000000 ] - [ 0.0000995500000000, 0.0000731900000000, -0.0000504000000000 ] - [ -0.0000547500000000, 0.0000524000000000, -0.0002579300000000 ] - [ 0.0000457100000000, -0.0001151900000000, -0.0000601300000000 ] - [ -0.0003053100000000, -0.0001124600000000, 0.0001780300000000 ] - [ 0.0001207700000000, 0.0003351000000000, -0.0003064200000000 ] - [ -0.0000516600000000, -0.0001220400000000, 0.0000056300000000 ] - [ 0.0000680200000000, 0.0001126800000000, 0.0001138900000000 ] - [ 0.0000327600000000, -0.0001021900000000, 0.0000228300000000 ] - [ 0.0000333100000000, 0.0000328300000000, -0.0001898500000000 ] - [ -0.0001011100000000, -0.0000641100000000, -0.0000894300000000 ] - [ -0.0000628800000000, -0.0000507000000000, 0.0002069900000000 ] - [ -0.0003454500000000, 0.0003101500000000, -0.0003027300000000 ] - [ -0.0000308200000000, -0.0000734400000000, 0.0001141300000000 ] - [ -0.0005441800000000, -0.0015114900000000, 0.0001231700000000 ] - [ 0.0021693400000000, 0.0027896800000000, 0.0032767900000000 ] - [ 0.0004618300000000, 0.0003169400000000, 0.0002671800000000 ] - [ 0.0149599600000000, -0.0025621800000000, -0.0642618400000000 ] - [ -0.0000284200000000, 0.0000503600000000, 0.0001876300000000 ] - [ 0.0001053900000000, 0.0003443600000000, -0.0001299800000000 ] - [ 0.0000465800000000, -0.0001428100000000, -0.0000246500000000 ] - [ 0.0001838900000000, 0.0000212100000000, -0.0000543300000000 ] - [ 0.0001378500000000, 0.0001386700000000, -0.0000411400000000 ] - [ 0.0000868900000000, 0.0000727600000000, 0.0002281600000000 ] - [ 0.0001083600000000, 0.0001335800000000, 0.0000188000000000 ] - [ -0.0001363000000000, -0.0000215700000000, 0.0001277600000000 ] - [ -0.0002614800000000, -0.0000249300000000, 0.0000312600000000 ] - [ -0.0000551600000000, -0.0000543500000000, 0.0000049300000000 ] - [ 0.0000350500000000, 0.0001063100000000, 0.0000604400000000 ] - [ -0.0002492000000000, -0.0023642600000000, 0.0057244100000000 ] - [ 0.0002787900000000, -0.0029922000000000, 0.0049642900000000 ] - [ -0.0000751200000000, 0.0001437600000000, 0.0002105500000000 ] - [ 0.0004903600000000, -0.0008551400000000, -0.0001979800000000 ] - [ -0.0001013700000000, -0.0000418800000000, -0.0004129100000000 ] - [ -0.0025770200000000, 0.0009140200000000, 0.0016746600000000 ] - [ -0.0000723800000000, -0.0001525500000000, -0.0001404900000000 ] - [ -0.0001270700000000, 0.0001466200000000, -0.0000402800000000 ] - [ -0.0001981800000000, 0.0000345200000000, -0.0002227400000000 ] - [ 0.0007067500000000, -0.0016380800000000, -0.0011693400000000 ] - [ -0.0003945600000000, 0.0004533400000000, -0.0002449700000000 ] - [ -0.0002047900000000, -0.0005346400000000, -0.0000568000000000 ] - [ 0.0000797500000000, 0.0001235200000000, -0.0001338600000000 ] - [ 0.0000275100000000, 0.0006622800000000, 0.0004134200000000 ] - [ 0.0001431200000000, 0.0000145700000000, -0.0001440200000000 ] - [ 0.0001281100000000, -0.0000203700000000, -0.0000477700000000 ] - [ 0.0001158900000000, 0.0000776200000000, -0.0000070800000000 ] - [ 0.0002487400000000, 0.0000278300000000, 0.0001215700000000 ] - [ 0.0002458300000000, 0.0000128700000000, -0.0002265500000000 ] - [ 0.0004752100000000, -0.0000285900000000, -0.0000263800000000 ] - [ -0.0001794000000000, -0.0002215600000000, 0.0001017300000000 ] - [ -0.0000828800000000, 0.0001661600000000, 0.0000379600000000 ] - [ -0.0000996900000000, 0.0000587200000000, -0.0001170600000000 ] - [ 0.0002158600000000, -0.0002521400000000, 0.0000464400000000 ] - [ -0.0001735200000000, -0.0001603400000000, 0.0004761200000000 ] - [ 0.0008631200000000, 0.0003020400000000, -0.0004027700000000 ] - [ -0.0001945400000000, -0.0001567400000000, -0.0000471600000000 ] - [ 0.0000325500000000, 0.0009036300000000, 0.0003266900000000 ] - [ 0.0019008300000000, -0.0100277400000000, 0.0115372300000000 ] - [ 0.0002857400000000, 0.0002945700000000, -0.0006559800000000 ] - [ -0.0154036300000000, 0.0147001800000000, 0.0312984500000000 ] - [ -0.0002776800000000, -0.0005596200000000, -0.0007030200000000 ]- atom: 45 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0003956000000000, -0.0002119200000000, 0.0002470500000000 ] - [ 0.0001188400000000, 0.0000389900000000, -0.0000577100000000 ] - [ -0.0001453600000000, 0.0000531100000000, 0.0001006300000000 ] - [ -0.0001754900000000, -0.0000656500000000, 0.0000214900000000 ] - [ 0.0015361300000000, -0.0010364700000000, -0.0054233500000000 ] - [ -0.0009200800000000, -0.0011618600000000, -0.0013126700000000 ] - [ -0.0001087800000000, -0.0000195100000000, -0.0001282700000000 ] - [ -0.0026072900000000, 0.0016458100000000, -0.0006359000000000 ] - [ 0.0029596600000000, -0.0001577300000000, -0.0004439700000000 ] - [ 0.0000078500000000, 0.0002458600000000, -0.0001296600000000 ] - [ 0.0001662900000000, -0.0004086600000000, -0.0000174300000000 ] - [ -0.0000344800000000, 0.0000177700000000, 0.0000822400000000 ] - [ -0.0000647700000000, -0.0001081900000000, 0.0001247900000000 ] - [ 0.0000513000000000, 0.0000717900000000, 0.0002788500000000 ] - [ 0.0000621200000000, -0.0002035500000000, 0.0001860600000000 ] - [ 0.0000212400000000, 0.0001615100000000, 0.0000236900000000 ] - [ 0.0000330400000000, -0.0002067400000000, 0.0000831800000000 ] - [ 0.0000322100000000, 0.0002301200000000, 0.0000381000000000 ] - [ 0.0001712500000000, -0.0000213600000000, 0.0001784600000000 ] - [ 0.0001514100000000, 0.0000148100000000, 0.0002328700000000 ] - [ -0.0000090300000000, 0.0000760300000000, 0.0001267000000000 ] - [ -0.0000693800000000, -0.0000123800000000, 0.0000511300000000 ] - [ -0.0001763600000000, -0.0002351600000000, 0.0000261500000000 ] - [ -0.0001739400000000, 0.0002154200000000, -0.0000008500000000 ] - [ 0.0000156800000000, -0.0000481900000000, -0.0002032500000000 ] - [ 0.0000270800000000, 0.0000618200000000, -0.0001298200000000 ] - [ -0.0000828300000000, -0.0001146400000000, 0.0000284300000000 ] - [ -0.0000690900000000, 0.0001357900000000, 0.0000403000000000 ] - [ 0.0000294100000000, 0.0000158300000000, -0.0002624700000000 ] - [ 0.0001835300000000, -0.0001420600000000, -0.0000534400000000 ] - [ -0.0001082700000000, -0.0000551100000000, 0.0000955900000000 ] - [ 0.0002427200000000, 0.0002811200000000, -0.0001390000000000 ] - [ -0.0001422600000000, -0.0001091100000000, 0.0001771100000000 ] - [ 0.0000429500000000, -0.0000942100000000, -0.0001285000000000 ] - [ 0.0000268700000000, 0.0001548300000000, 0.0000143700000000 ] - [ 0.0000621500000000, -0.0001641700000000, 0.0001051800000000 ] - [ -0.0001023900000000, -0.0000390800000000, -0.0000360100000000 ] - [ 0.0000316300000000, 0.0000731300000000, -0.0001339300000000 ] - [ -0.0000701500000000, -0.0000096800000000, -0.0002726100000000 ] - [ 0.0002025900000000, -0.0002428400000000, 0.0002346600000000 ] - [ -0.0000450600000000, -0.0000028200000000, -0.0001468000000000 ] - [ 0.0004618900000000, 0.0015654300000000, -0.0001532600000000 ] - [ -0.0016170000000000, -0.0028107100000000, -0.0031937900000000 ] - [ 0.0000435300000000, -0.0002458800000000, -0.0002609800000000 ] - [ -0.0141701200000000, 0.0018273000000000, 0.0626896000000000 ] - [ 0.0000334900000000, -0.0001490100000000, -0.0003439000000000 ] - [ -0.0000157500000000, 0.0000748000000000, 0.0000011500000000 ] - [ 0.0000422200000000, -0.0002734400000000, -0.0001036200000000 ] - [ 0.0001014500000000, -0.0002251500000000, -0.0000219900000000 ] - [ 0.0001474800000000, 0.0000646200000000, -0.0000326800000000 ] - [ 0.0002285200000000, -0.0000942600000000, -0.0000666200000000 ] - [ 0.0002071300000000, -0.0001100400000000, 0.0001410800000000 ] - [ -0.0001382100000000, -0.0000480400000000, 0.0000950600000000 ] - [ -0.0000145500000000, 0.0000925500000000, 0.0001923400000000 ] - [ -0.0000578700000000, -0.0000499700000000, 0.0000076200000000 ] - [ -0.0001480500000000, 0.0000003200000000, -0.0000499100000000 ] - [ 0.0004007500000000, 0.0023556700000000, -0.0058825300000000 ] - [ -0.0001344400000000, 0.0029831500000000, -0.0048777800000000 ] - [ -0.0000288100000000, 0.0001609600000000, 0.0000231800000000 ] - [ -0.0005880800000000, 0.0005181200000000, 0.0004487600000000 ] - [ 0.0002695600000000, -0.0002659700000000, 0.0002003400000000 ] - [ 0.0028542500000000, -0.0006419200000000, -0.0019435100000000 ] - [ 0.0000326700000000, -0.0000485900000000, -0.0000046300000000 ] - [ 0.0000879100000000, 0.0000564200000000, -0.0001058800000000 ] - [ -0.0001402500000000, 0.0001789800000000, -0.0001590800000000 ] - [ -0.0010491700000000, 0.0014288100000000, 0.0007945900000000 ] - [ 0.0001889400000000, -0.0002708800000000, 0.0002315700000000 ] - [ 0.0000120800000000, 0.0003739500000000, 0.0000253300000000 ] - [ -0.0000093200000000, 0.0000192300000000, 0.0000101200000000 ] - [ 0.0000553900000000, -0.0008060700000000, -0.0005428100000000 ] - [ -0.0001102800000000, 0.0000213000000000, 0.0000758500000000 ] - [ -0.0000970300000000, -0.0000168800000000, -0.0000223900000000 ] - [ 0.0000810400000000, -0.0001050500000000, 0.0000412400000000 ] - [ -0.0000497500000000, 0.0000018400000000, -0.0000923500000000 ] - [ 0.0000739300000000, 0.0000487900000000, 0.0000335200000000 ] - [ -0.0001480300000000, -0.0000319100000000, -0.0001711100000000 ] - [ -0.0000149000000000, -0.0000376000000000, 0.0000031600000000 ] - [ -0.0001112900000000, 0.0000887400000000, 0.0000633900000000 ] - [ 0.0001082000000000, 0.0001014900000000, 0.0001818200000000 ] - [ -0.0002000100000000, 0.0000890300000000, 0.0000132100000000 ] - [ 0.0003342100000000, 0.0000536300000000, -0.0005717400000000 ] - [ -0.0007173900000000, -0.0002063300000000, 0.0002971500000000 ] - [ -0.0000088600000000, 0.0002213900000000, 0.0000971600000000 ] - [ -0.0002389600000000, -0.0009700100000000, -0.0002766100000000 ] - [ -0.0020015500000000, 0.0100172100000000, -0.0114549300000000 ] - [ -0.0003439000000000, -0.0000989100000000, 0.0007349000000000 ] - [ 0.0146129100000000, -0.0140646600000000, -0.0297509100000000 ] - [ 0.0003094600000000, 0.0006049200000000, 0.0008394200000000 ]- atom: 47 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0003485500000000, 0.0006767200000000, 0.0001289400000000 ] - [ 0.0000871700000000, 0.0000021200000000, -0.0000659800000000 ] - [ -0.0001574000000000, 0.0000809800000000, 0.0000482900000000 ] - [ -0.0001786200000000, -0.0001260100000000, 0.0000082600000000 ] - [ 0.0000644900000000, -0.0000740600000000, -0.0001019300000000 ] - [ 0.0000471400000000, 0.0001782200000000, 0.0000084100000000 ] - [ -0.0001048900000000, -0.0000599300000000, 0.0000002000000000 ] - [ -0.0002545800000000, 0.0000414400000000, 0.0000202400000000 ] - [ 0.0002604300000000, 0.0000112400000000, -0.0001033200000000 ] - [ 0.0000632100000000, 0.0003163200000000, -0.0000530800000000 ] - [ 0.0026908100000000, 0.0009207300000000, -0.0022362100000000 ] - [ -0.0000401300000000, 0.0000533100000000, 0.0001779600000000 ] - [ -0.0000589200000000, -0.0000962300000000, 0.0001669600000000 ] - [ 0.0058083100000000, 0.0014839500000000, 0.0022983800000000 ] - [ -0.0000276700000000, -0.0000768800000000, 0.0000203200000000 ] - [ 0.0000019500000000, 0.0001735200000000, 0.0001187400000000 ] - [ 0.0000865800000000, -0.0002242600000000, 0.0000741200000000 ] - [ 0.0001585200000000, 0.0002183800000000, 0.0001726500000000 ] - [ 0.0001208200000000, -0.0000004100000000, 0.0002338500000000 ] - [ 0.0002078700000000, -0.0000163200000000, 0.0001896600000000 ] - [ -0.0000377000000000, 0.0000860700000000, 0.0000872000000000 ] - [ -0.0000621500000000, -0.0000090000000000, 0.0000845800000000 ] - [ 0.0000816300000000, -0.0003124800000000, 0.0000260500000000 ] - [ -0.0001673200000000, 0.0001906800000000, 0.0000156500000000 ] - [ 0.0000934100000000, -0.0001071800000000, -0.0000187400000000 ] - [ 0.0002353100000000, 0.0000763100000000, -0.0001881500000000 ] - [ 0.0000113100000000, -0.0001036700000000, 0.0001339000000000 ] - [ -0.0000163300000000, 0.0000921500000000, 0.0000776700000000 ] - [ 0.0000599500000000, 0.0000139700000000, -0.0001502500000000 ] - [ 0.0001025500000000, 0.0000591100000000, -0.0002485000000000 ] - [ -0.0000106200000000, -0.0000016700000000, 0.0000825200000000 ] - [ 0.0000339500000000, 0.0001104100000000, -0.0000518300000000 ] - [ 0.0000046600000000, 0.0002111200000000, -0.0000697800000000 ] - [ -0.0000054200000000, -0.0001074300000000, -0.0000663500000000 ] - [ 0.0000923200000000, 0.0000902300000000, 0.0001257500000000 ] - [ 0.0023664000000000, 0.0011318600000000, 0.0000762200000000 ] - [ 0.0010571200000000, 0.0010536300000000, 0.0002708100000000 ] - [ -0.0000028600000000, -0.0000697700000000, -0.0001843000000000 ] - [ -0.0001105000000000, -0.0000681300000000, -0.0000492900000000 ] - [ -0.0000155100000000, 0.0000844000000000, -0.0000065500000000 ] - [ -0.0000659100000000, -0.0000214400000000, -0.0000173100000000 ] - [ 0.0005118900000000, -0.0036543400000000, -0.0007930000000000 ] - [ -0.0009858900000000, -0.0004530800000000, -0.0006261100000000 ] - [ 0.0002131300000000, 0.0000625500000000, -0.0000171700000000 ] - [ -0.0001404500000000, 0.0001254500000000, -0.0000189000000000 ] - [ 0.0000063400000000, -0.0000084100000000, -0.0000772900000000 ] - [ -0.0507070900000000, -0.0134738400000000, -0.0083104900000000 ] - [ 0.0000149100000000, -0.0002317300000000, -0.0000617700000000 ] - [ 0.0002511400000000, -0.0002582300000000, 0.0005805200000000 ] - [ -0.0001062900000000, 0.0003204000000000, -0.0003144300000000 ] - [ 0.0002124900000000, -0.0000468500000000, 0.0000043500000000 ] - [ 0.0020634300000000, -0.0014093200000000, 0.0008371800000000 ] - [ -0.0001212800000000, -0.0000255200000000, 0.0001403400000000 ] - [ 0.0000164200000000, 0.0001592000000000, 0.0001412200000000 ] - [ -0.0000268100000000, -0.0000270100000000, -0.0001040300000000 ] - [ 0.0009969800000000, -0.0006680500000000, 0.0010807600000000 ] - [ 0.0000217400000000, -0.0000096700000000, 0.0000372200000000 ] - [ -0.0000185100000000, 0.0000303800000000, -0.0000152700000000 ] - [ 0.0000944600000000, 0.0002536700000000, 0.0001497000000000 ] - [ -0.0002643600000000, 0.0004959100000000, 0.0021646200000000 ] - [ 0.0001348300000000, -0.0002357500000000, -0.0000439300000000 ] - [ 0.0001555100000000, 0.0001212800000000, -0.0000713600000000 ] - [ 0.0000267100000000, -0.0001147400000000, -0.0003486900000000 ] - [ 0.0008594400000000, -0.0001185900000000, -0.0005525300000000 ] - [ -0.0000948900000000, 0.0002641400000000, -0.0002740300000000 ] - [ 0.0266435000000000, 0.0166539800000000, 0.0041754600000000 ] - [ 0.0005293700000000, 0.0004380100000000, -0.0007374200000000 ] - [ 0.0002849400000000, 0.0000267800000000, -0.0002552000000000 ] - [ -0.0000112400000000, 0.0000527900000000, -0.0000684300000000 ] - [ -0.0002950200000000, 0.0002598700000000, -0.0000609200000000 ] - [ -0.0001698500000000, 0.0000367600000000, -0.0001324100000000 ] - [ -0.0004559400000000, 0.0002614400000000, 0.0002259600000000 ] - [ 0.0000559800000000, -0.0000096700000000, -0.0000693600000000 ] - [ -0.0001465600000000, -0.0000706400000000, -0.0000562100000000 ] - [ 0.0001290800000000, 0.0000007600000000, -0.0000663800000000 ] - [ 0.0000436300000000, -0.0002482200000000, 0.0000152900000000 ] - [ -0.0009751400000000, -0.0003864200000000, -0.0004998400000000 ] - [ -0.0002030100000000, 0.0002075200000000, 0.0000524600000000 ] - [ -0.0000261700000000, 0.0003323600000000, -0.0004175500000000 ] - [ -0.0002980000000000, -0.0008287200000000, 0.0003946100000000 ] - [ 0.0000692900000000, -0.0005174000000000, 0.0000034500000000 ] - [ 0.0002024200000000, 0.0001076600000000, 0.0000540600000000 ] - [ -0.0000778000000000, -0.0000053100000000, 0.0002231600000000 ] - [ 0.0095849400000000, -0.0023083800000000, 0.0025295300000000 ] - [ 0.0006797600000000, 0.0009289800000000, -0.0003557400000000 ] - [ -0.0000578900000000, -0.0000063000000000, 0.0000371400000000 ] - [ -0.0014111800000000, -0.0018522500000000, 0.0004034700000000 ] - [ 0.0000231200000000, -0.0000534900000000, 0.0000621600000000 ]- atom: 47 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ -0.0001918000000000, -0.0007052100000000, -0.0002645600000000 ] - [ 0.0000541300000000, 0.0000177600000000, -0.0000712500000000 ] - [ -0.0001020800000000, 0.0000917300000000, 0.0000206000000000 ] - [ -0.0000803400000000, -0.0000473800000000, 0.0000598400000000 ] - [ 0.0000569700000000, -0.0002605800000000, 0.0000757900000000 ] - [ 0.0000740000000000, 0.0001553700000000, -0.0000361300000000 ] - [ -0.0000734300000000, -0.0001091500000000, 0.0000128700000000 ] - [ 0.0000758800000000, 0.0001278600000000, -0.0000079900000000 ] - [ -0.0001210200000000, -0.0005857900000000, -0.0000173200000000 ] - [ 0.0000770500000000, 0.0002583500000000, -0.0000680500000000 ] - [ -0.0027194700000000, -0.0012095400000000, 0.0025333900000000 ] - [ 0.0000917900000000, 0.0002197900000000, 0.0000699800000000 ] - [ -0.0000500200000000, -0.0000755700000000, 0.0001369600000000 ] - [ -0.0059762400000000, -0.0013415300000000, -0.0019997600000000 ] - [ 0.0001036200000000, -0.0002820100000000, 0.0001487400000000 ] - [ 0.0000719800000000, 0.0001846200000000, 0.0000500000000000 ] - [ -0.0001146200000000, -0.0001814400000000, 0.0000600800000000 ] - [ -0.0001872300000000, 0.0001870900000000, -0.0000385000000000 ] - [ 0.0000104000000000, -0.0000032800000000, 0.0002540300000000 ] - [ -0.0000767500000000, 0.0000200500000000, 0.0002980800000000 ] - [ -0.0001344500000000, -0.0000618800000000, 0.0000577000000000 ] - [ -0.0001100100000000, -0.0000155800000000, 0.0000602600000000 ] - [ -0.0004809800000000, -0.0000902200000000, 0.0000102900000000 ] - [ -0.0002319300000000, 0.0002142200000000, 0.0000209600000000 ] - [ -0.0001236900000000, -0.0000538600000000, -0.0002481500000000 ] - [ -0.0002644000000000, 0.0000845100000000, -0.0000811200000000 ] - [ -0.0001768400000000, -0.0001221800000000, -0.0000705200000000 ] - [ -0.0001496300000000, 0.0001338700000000, -0.0000158200000000 ] - [ 0.0000707700000000, 0.0000786000000000, -0.0001612900000000 ] - [ 0.0000287300000000, -0.0001517800000000, -0.0000642700000000 ] - [ -0.0000497800000000, -0.0001709000000000, -0.0000446200000000 ] - [ -0.0000949600000000, 0.0000624000000000, 0.0000890700000000 ] - [ -0.0000103300000000, 0.0000044000000000, -0.0000509000000000 ] - [ -0.0000003600000000, -0.0001082300000000, -0.0000540400000000 ] - [ 0.0000045300000000, 0.0001771700000000, 0.0000046700000000 ] - [ -0.0022157900000000, -0.0013791200000000, 0.0000425800000000 ] - [ -0.0011141700000000, -0.0010430100000000, -0.0004862200000000 ] - [ -0.0000677500000000, 0.0000770400000000, -0.0000419900000000 ] - [ -0.0000279700000000, 0.0000086900000000, -0.0000128500000000 ] - [ -0.0001230600000000, -0.0000255600000000, -0.0000568700000000 ] - [ -0.0000106400000000, -0.0000530100000000, -0.0000127300000000 ] - [ -0.0005894300000000, 0.0037093000000000, 0.0007536600000000 ] - [ 0.0014829400000000, 0.0004159900000000, 0.0006165000000000 ] - [ 0.0002932700000000, 0.0000076300000000, 0.0000214100000000 ] - [ 0.0001430300000000, -0.0000314300000000, -0.0001348100000000 ] - [ -0.0000042800000000, -0.0000892700000000, -0.0000765700000000 ] - [ 0.0523128800000000, 0.0147578000000000, 0.0086552600000000 ] - [ 0.0000685600000000, -0.0001817800000000, -0.0000643300000000 ] - [ 0.0000324800000000, 0.0000642200000000, -0.0006784100000000 ] - [ 0.0003903700000000, -0.0001151900000000, 0.0002433900000000 ] - [ 0.0001052400000000, 0.0000226600000000, 0.0001583900000000 ] - [ -0.0017780000000000, 0.0014555200000000, -0.0006906000000000 ] - [ -0.0001552300000000, -0.0000463400000000, 0.0000857600000000 ] - [ -0.0002947300000000, -0.0000889800000000, 0.0000844000000000 ] - [ -0.0000849800000000, -0.0000754500000000, 0.0001128400000000 ] - [ -0.0010900500000000, 0.0007591500000000, -0.0010518700000000 ] - [ 0.0001136500000000, -0.0000546900000000, -0.0000566400000000 ] - [ 0.0001554300000000, 0.0000350700000000, -0.0000032800000000 ] - [ -0.0002019100000000, 0.0000526400000000, 0.0000805400000000 ] - [ 0.0001670900000000, -0.0007957400000000, -0.0019471000000000 ] - [ 0.0000366600000000, -0.0000753400000000, -0.0001668700000000 ] - [ 0.0000150700000000, 0.0001895100000000, -0.0001406700000000 ] - [ -0.0000639000000000, -0.0000846700000000, 0.0002032000000000 ] - [ -0.0008759900000000, 0.0003111600000000, 0.0003451100000000 ] - [ -0.0002395100000000, -0.0000494200000000, -0.0001031200000000 ] - [ -0.0283652300000000, -0.0177289500000000, -0.0049726800000000 ] - [ -0.0007286400000000, -0.0002803900000000, 0.0007124200000000 ] - [ -0.0004748200000000, -0.0001829600000000, 0.0002208600000000 ] - [ 0.0000811800000000, 0.0000895900000000, -0.0000553900000000 ] - [ 0.0003492600000000, -0.0004290700000000, -0.0000686200000000 ] - [ 0.0001964100000000, -0.0000019100000000, 0.0000647400000000 ] - [ 0.0004775900000000, -0.0002967100000000, -0.0002933000000000 ] - [ 0.0001377800000000, -0.0000207800000000, 0.0000998400000000 ] - [ 0.0003418800000000, 0.0001015500000000, 0.0000871900000000 ] - [ 0.0001869700000000, 0.0000621200000000, -0.0001265800000000 ] - [ 0.0002729600000000, 0.0001873900000000, -0.0002094300000000 ] - [ 0.0007821900000000, 0.0001285700000000, 0.0005984900000000 ] - [ 0.0000082500000000, 0.0000441600000000, 0.0000489100000000 ] - [ 0.0000392400000000, -0.0001702100000000, 0.0004784600000000 ] - [ 0.0003128900000000, 0.0006625400000000, -0.0003242900000000 ] - [ 0.0000916100000000, 0.0004161700000000, -0.0001067100000000 ] - [ -0.0000404600000000, -0.0000085000000000, -0.0001590500000000 ] - [ -0.0001271500000000, 0.0000695700000000, -0.0001768700000000 ] - [ -0.0098297100000000, 0.0022446500000000, -0.0024747900000000 ] - [ -0.0007317400000000, -0.0011144000000000, 0.0004562300000000 ] - [ -0.0000020100000000, 0.0002022500000000, 0.0000444300000000 ] - [ 0.0014373400000000, 0.0018168600000000, -0.0002710300000000 ] - [ 0.0000053900000000, 0.0000894100000000, 0.0000800800000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004240300000000, 0.0007863300000000, -0.0003595200000000 ] - [ 0.0001044700000000, -0.0000446800000000, -0.0000367800000000 ] - [ -0.0001289500000000, 0.0000963700000000, 0.0000395700000000 ] - [ -0.0001843500000000, -0.0001765900000000, 0.0000569000000000 ] - [ 0.0001277400000000, -0.0002540100000000, -0.0001096000000000 ] - [ 0.0000637200000000, 0.0002741300000000, 0.0000103900000000 ] - [ -0.0001445300000000, 0.0000180600000000, -0.0000603100000000 ] - [ -0.0000945300000000, 0.0001317700000000, 0.0001702100000000 ] - [ 0.0003575200000000, 0.0003808400000000, -0.0000878900000000 ] - [ 0.0000355900000000, 0.0004157000000000, -0.0000473900000000 ] - [ -0.0006220400000000, -0.0009224600000000, -0.0003787200000000 ] - [ -0.0000766800000000, -0.0000562400000000, 0.0001611300000000 ] - [ -0.0001148800000000, -0.0000682900000000, 0.0001792600000000 ] - [ 0.0041833800000000, -0.0005752500000000, 0.0024557800000000 ] - [ 0.0001261700000000, -0.0002436200000000, 0.0000056600000000 ] - [ -0.0000468200000000, 0.0002268300000000, 0.0000644500000000 ] - [ 0.0000108600000000, -0.0001915800000000, 0.0001018200000000 ] - [ 0.0000792100000000, 0.0002044800000000, 0.0001571300000000 ] - [ 0.0000991500000000, -0.0000009200000000, 0.0002222500000000 ] - [ 0.0000631800000000, 0.0001232100000000, 0.0002330800000000 ] - [ -0.0000167700000000, 0.0001833200000000, 0.0001033200000000 ] - [ -0.0001013500000000, 0.0000468900000000, 0.0000845600000000 ] - [ -0.0000411300000000, -0.0003678000000000, 0.0000739200000000 ] - [ -0.0002066600000000, 0.0001095900000000, 0.0000079400000000 ] - [ -0.0000110900000000, -0.0001002300000000, -0.0001191200000000 ] - [ -0.0000487900000000, 0.0001358900000000, -0.0001671300000000 ] - [ 0.0000035300000000, -0.0001313900000000, 0.0001488500000000 ] - [ -0.0000292600000000, 0.0000718900000000, 0.0001003600000000 ] - [ -0.0000160700000000, 0.0000046900000000, -0.0002586000000000 ] - [ 0.0000946300000000, 0.0001079300000000, -0.0002317300000000 ] - [ -0.0000730300000000, 0.0001096200000000, 0.0001470900000000 ] - [ -0.0000590600000000, 0.0000796300000000, 0.0000870900000000 ] - [ -0.0001098300000000, 0.0004741900000000, -0.0000770300000000 ] - [ -0.0000084400000000, -0.0000511000000000, -0.0000613600000000 ] - [ 0.0000946500000000, 0.0000249500000000, 0.0000769900000000 ] - [ 0.0011624400000000, 0.0005313100000000, 0.0002885900000000 ] - [ 0.0013544400000000, 0.0010178200000000, 0.0002540000000000 ] - [ -0.0000539000000000, -0.0000967700000000, -0.0001171700000000 ] - [ -0.0001780800000000, -0.0000767600000000, -0.0001406000000000 ] - [ 0.0001109400000000, 0.0001571100000000, 0.0000400600000000 ] - [ 0.0000519300000000, -0.0000075400000000, -0.0000713700000000 ] - [ -0.0006944300000000, 0.0023360100000000, 0.0020584800000000 ] - [ -0.0039521300000000, 0.0050327100000000, -0.0033104100000000 ] - [ 0.0002624800000000, 0.0001531400000000, 0.0000093300000000 ] - [ -0.0000083700000000, 0.0001224300000000, 0.0000542400000000 ] - [ 0.0001283100000000, 0.0001984400000000, -0.0001457400000000 ] - [ -0.0140441100000000, -0.0776634400000000, 0.0084306700000000 ] - [ 0.0000721000000000, -0.0003242800000000, -0.0000898100000000 ] - [ 0.0005533300000000, -0.0005617300000000, -0.0019413700000000 ] - [ -0.0001106300000000, 0.0005677700000000, -0.0009940200000000 ] - [ 0.0001596300000000, -0.0001757800000000, -0.0000824700000000 ] - [ -0.0016981800000000, 0.0003822100000000, -0.0003140400000000 ] - [ -0.0001657800000000, 0.0000489800000000, 0.0001600400000000 ] - [ 0.0000104800000000, 0.0001548600000000, 0.0001521600000000 ] - [ 0.0000326900000000, -0.0001053600000000, -0.0001134500000000 ] - [ -0.0007012900000000, -0.0004740900000000, -0.0000995000000000 ] - [ 0.0000362600000000, 0.0001176600000000, 0.0001241600000000 ] - [ -0.0000307200000000, 0.0002924300000000, -0.0000506000000000 ] - [ -0.0001047900000000, 0.0002527100000000, 0.0005268200000000 ] - [ -0.0003724700000000, 0.0001573400000000, 0.0006830600000000 ] - [ 0.0002259100000000, -0.0005389100000000, 0.0003519900000000 ] - [ 0.0001865100000000, -0.0001277100000000, -0.0001439300000000 ] - [ -0.0001035900000000, 0.0001657900000000, -0.0004527300000000 ] - [ -0.0014338700000000, 0.0012050400000000, 0.0025489100000000 ] - [ 0.0000409900000000, 0.0006238400000000, -0.0004952800000000 ] - [ 0.0158249300000000, 0.0222693900000000, 0.0012252300000000 ] - [ 0.0007848500000000, 0.0019470400000000, 0.0001169300000000 ] - [ 0.0002642700000000, -0.0003569800000000, 0.0003155900000000 ] - [ 0.0000868600000000, -0.0000294600000000, -0.0000330000000000 ] - [ -0.0010570500000000, -0.0017945300000000, -0.0004647100000000 ] - [ -0.0000764000000000, 0.0001008500000000, -0.0000868100000000 ] - [ 0.0003883700000000, -0.0000353200000000, -0.0004201600000000 ] - [ 0.0000614100000000, -0.0001216900000000, -0.0001100100000000 ] - [ 0.0000234400000000, -0.0000492100000000, -0.0001347700000000 ] - [ 0.0001862000000000, -0.0001851300000000, -0.0000164700000000 ] - [ 0.0002005700000000, -0.0005091200000000, -0.0000265800000000 ] - [ -0.0009302600000000, 0.0002395800000000, -0.0004137000000000 ] - [ -0.0001584100000000, 0.0004088300000000, 0.0000398300000000 ] - [ 0.0000533900000000, 0.0002665000000000, -0.0000242500000000 ] - [ -0.0003634500000000, -0.0006314700000000, 0.0002893500000000 ] - [ -0.0001151700000000, -0.0009605000000000, -0.0000481600000000 ] - [ 0.0001901200000000, 0.0000514400000000, -0.0000223700000000 ] - [ -0.0004044700000000, 0.0000186300000000, 0.0004829400000000 ] - [ 0.0000986300000000, 0.0449907900000000, -0.0113083500000000 ] - [ 0.0003644800000000, 0.0020385700000000, 0.0005716600000000 ] - [ -0.0002289000000000, -0.0004010000000000, 0.0001194900000000 ] - [ 0.0003894400000000, -0.0011123400000000, 0.0000942400000000 ] - [ -0.0000525000000000, -0.0003322700000000, 0.0000414800000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003054300000000, -0.0008254700000000, 0.0002252800000000 ] - [ 0.0000360000000000, 0.0000640800000000, -0.0000992700000000 ] - [ -0.0001291300000000, 0.0000757300000000, 0.0000299000000000 ] - [ -0.0000743000000000, 0.0000042100000000, 0.0000130500000000 ] - [ -0.0000061700000000, -0.0000791400000000, 0.0000822100000000 ] - [ 0.0000579200000000, 0.0000646100000000, -0.0000361300000000 ] - [ -0.0000342900000000, -0.0001850600000000, 0.0000722600000000 ] - [ -0.0000800700000000, 0.0000388500000000, -0.0001581900000000 ] - [ -0.0002199200000000, -0.0009609000000000, -0.0000333800000000 ] - [ 0.0001022000000000, 0.0001616200000000, -0.0000732300000000 ] - [ 0.0006944100000000, 0.0006577500000000, 0.0006209400000000 ] - [ 0.0001240500000000, 0.0003222900000000, 0.0000894000000000 ] - [ 0.0000052100000000, -0.0001042000000000, 0.0001234800000000 ] - [ -0.0043101700000000, 0.0007655900000000, -0.0021730300000000 ] - [ -0.0000513400000000, -0.0001129000000000, 0.0001661400000000 ] - [ 0.0001184000000000, 0.0001324100000000, 0.0001067400000000 ] - [ -0.0000351500000000, -0.0002149000000000, 0.0000361500000000 ] - [ -0.0001029000000000, 0.0002015500000000, -0.0000189100000000 ] - [ 0.0000340300000000, -0.0000044300000000, 0.0002630900000000 ] - [ 0.0000691800000000, -0.0001175300000000, 0.0002521400000000 ] - [ -0.0001527700000000, -0.0001567900000000, 0.0000430300000000 ] - [ -0.0000690000000000, -0.0000720800000000, 0.0000618000000000 ] - [ -0.0003538200000000, -0.0000402500000000, -0.0000365700000000 ] - [ -0.0001901100000000, 0.0002954100000000, 0.0000291400000000 ] - [ -0.0000189400000000, -0.0000586400000000, -0.0001516100000000 ] - [ 0.0000180900000000, 0.0000230800000000, -0.0001031900000000 ] - [ -0.0001678200000000, -0.0000981500000000, -0.0000835800000000 ] - [ -0.0001363700000000, 0.0001570800000000, -0.0000363100000000 ] - [ 0.0001447900000000, 0.0000855300000000, -0.0000530400000000 ] - [ 0.0000348000000000, -0.0001970800000000, -0.0000811200000000 ] - [ 0.0000116700000000, -0.0002786800000000, -0.0001088400000000 ] - [ -0.0000039100000000, 0.0000898100000000, -0.0000495900000000 ] - [ 0.0001012400000000, -0.0002560000000000, -0.0000467800000000 ] - [ -0.0000005400000000, -0.0001639600000000, -0.0000607200000000 ] - [ -0.0000000500000000, 0.0002414400000000, 0.0000511000000000 ] - [ -0.0010691800000000, -0.0008030600000000, -0.0001604100000000 ] - [ -0.0013999600000000, -0.0010116000000000, -0.0004682200000000 ] - [ -0.0000182900000000, 0.0001055200000000, -0.0001053100000000 ] - [ 0.0000411900000000, 0.0000153200000000, 0.0000754400000000 ] - [ -0.0002449500000000, -0.0000949900000000, -0.0001065000000000 ] - [ -0.0001271300000000, -0.0000685800000000, 0.0000376400000000 ] - [ 0.0006457700000000, -0.0022935400000000, -0.0021233300000000 ] - [ 0.0045108300000000, -0.0051863500000000, 0.0033539500000000 ] - [ 0.0002438000000000, -0.0000809000000000, -0.0000034000000000 ] - [ 0.0000117000000000, -0.0000169500000000, -0.0002107400000000 ] - [ -0.0001216800000000, -0.0002936600000000, -0.0000096900000000 ] - [ 0.0141719900000000, 0.0803305700000000, -0.0093461600000000 ] - [ 0.0000170800000000, -0.0000945400000000, -0.0000386900000000 ] - [ -0.0002662400000000, 0.0003720600000000, 0.0018775600000000 ] - [ 0.0003947200000000, -0.0003606300000000, 0.0009093000000000 ] - [ 0.0001564300000000, 0.0001505100000000, 0.0002419200000000 ] - [ 0.0020014000000000, -0.0003551200000000, 0.0004699800000000 ] - [ -0.0001093100000000, -0.0001173800000000, 0.0000646600000000 ] - [ -0.0002823100000000, -0.0000820100000000, 0.0000714100000000 ] - [ -0.0001454100000000, -0.0000007700000000, 0.0001244000000000 ] - [ 0.0005950400000000, 0.0005854900000000, 0.0001101300000000 ] - [ 0.0001014500000000, -0.0001825300000000, -0.0001385400000000 ] - [ 0.0001679700000000, -0.0002252600000000, 0.0000331500000000 ] - [ -0.0000001800000000, 0.0000556800000000, -0.0002858300000000 ] - [ 0.0002790000000000, -0.0004490800000000, -0.0004293500000000 ] - [ -0.0000582200000000, 0.0002272300000000, -0.0005697700000000 ] - [ -0.0000165200000000, 0.0004362500000000, -0.0000685300000000 ] - [ 0.0000640500000000, -0.0003619500000000, 0.0003068500000000 ] - [ 0.0014005000000000, -0.0009734300000000, -0.0026934400000000 ] - [ -0.0003738700000000, -0.0004030000000000, 0.0001101900000000 ] - [ -0.0165542700000000, -0.0226717800000000, -0.0016481700000000 ] - [ -0.0009940300000000, -0.0018049400000000, -0.0001409800000000 ] - [ -0.0004505200000000, 0.0001970300000000, -0.0003408400000000 ] - [ -0.0000144600000000, 0.0001718300000000, -0.0000915200000000 ] - [ 0.0011383400000000, 0.0016550600000000, 0.0003533400000000 ] - [ 0.0001060200000000, -0.0000649800000000, 0.0000199500000000 ] - [ -0.0003568700000000, -0.0000014600000000, 0.0003476700000000 ] - [ 0.0001337000000000, 0.0000929100000000, 0.0001411000000000 ] - [ 0.0001731400000000, 0.0000770800000000, 0.0001661000000000 ] - [ 0.0001320200000000, 0.0002446500000000, -0.0001789900000000 ] - [ 0.0001167500000000, 0.0004434800000000, -0.0001679900000000 ] - [ 0.0007295800000000, -0.0004887500000000, 0.0005174800000000 ] - [ -0.0000368200000000, -0.0001505100000000, 0.0000613300000000 ] - [ -0.0000433900000000, -0.0001069400000000, 0.0000923000000000 ] - [ 0.0003729800000000, 0.0004709200000000, -0.0002235400000000 ] - [ 0.0002689900000000, 0.0008536800000000, -0.0000541100000000 ] - [ -0.0000287800000000, 0.0000442300000000, -0.0000828100000000 ] - [ 0.0001963000000000, 0.0000478700000000, -0.0004291400000000 ] - [ -0.0000201700000000, -0.0470230300000000, 0.0121726100000000 ] - [ -0.0004319000000000, -0.0022870400000000, -0.0005205800000000 ] - [ 0.0001692300000000, 0.0005915600000000, -0.0000419000000000 ] - [ -0.0003674200000000, 0.0010665100000000, 0.0000577000000000 ] - [ 0.0000821400000000, 0.0003644400000000, 0.0000999800000000 ]- atom: 47 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0003916400000000, -0.0001456200000000, -0.0006577400000000 ] - [ 0.0000516900000000, 0.0000358100000000, -0.0001352300000000 ] - [ -0.0001396900000000, 0.0000783300000000, 0.0000148700000000 ] - [ -0.0001159100000000, -0.0000625000000000, 0.0000463800000000 ] - [ -0.0000271100000000, -0.0002518000000000, -0.0000706600000000 ] - [ 0.0000660900000000, 0.0001202200000000, -0.0000059700000000 ] - [ -0.0000874500000000, -0.0000918700000000, 0.0000601700000000 ] - [ -0.0001250000000000, 0.0001938800000000, -0.0002088500000000 ] - [ 0.0000052100000000, -0.0003957300000000, 0.0000154800000000 ] - [ 0.0000803700000000, 0.0002734200000000, -0.0000527400000000 ] - [ -0.0008986600000000, -0.0014551900000000, 0.0005915100000000 ] - [ -0.0000505700000000, 0.0000427400000000, 0.0002335700000000 ] - [ -0.0000495600000000, -0.0000711300000000, 0.0001924000000000 ] - [ 0.0002287200000000, 0.0010007100000000, 0.0006673500000000 ] - [ -0.0000729300000000, -0.0002954600000000, 0.0000682300000000 ] - [ 0.0000932000000000, 0.0001436400000000, 0.0000944000000000 ] - [ -0.0000366600000000, -0.0002003200000000, 0.0000498200000000 ] - [ 0.0000973000000000, 0.0002289600000000, 0.0001392300000000 ] - [ 0.0000544500000000, 0.0000027400000000, 0.0002658000000000 ] - [ 0.0000923800000000, -0.0000292700000000, 0.0002306500000000 ] - [ -0.0001013400000000, -0.0000190600000000, 0.0000556700000000 ] - [ -0.0000777100000000, -0.0000143600000000, 0.0000882500000000 ] - [ -0.0002434900000000, -0.0001463800000000, -0.0000126200000000 ] - [ -0.0002087400000000, 0.0002067700000000, 0.0000390700000000 ] - [ 0.0000147900000000, -0.0001097100000000, -0.0000347400000000 ] - [ 0.0000083900000000, 0.0000468300000000, -0.0001612500000000 ] - [ -0.0000735200000000, -0.0000793100000000, -0.0000192200000000 ] - [ -0.0000916800000000, 0.0001360000000000, 0.0000654200000000 ] - [ 0.0001069900000000, 0.0000481000000000, -0.0000908800000000 ] - [ 0.0000521200000000, -0.0000816500000000, -0.0001424100000000 ] - [ 0.0000077400000000, -0.0001026100000000, -0.0000058000000000 ] - [ -0.0000586400000000, 0.0000745000000000, 0.0000568200000000 ] - [ 0.0000104200000000, 0.0000864800000000, -0.0000699700000000 ] - [ 0.0000074400000000, -0.0001027200000000, -0.0000338200000000 ] - [ 0.0000723600000000, 0.0001365200000000, 0.0001389200000000 ] - [ -0.0007629400000000, -0.0005249000000000, -0.0001597200000000 ] - [ 0.0006750800000000, 0.0007028900000000, 0.0001907600000000 ] - [ -0.0001863200000000, 0.0001192600000000, 0.0000282300000000 ] - [ 0.0000308500000000, -0.0000340600000000, 0.0000929200000000 ] - [ -0.0001302900000000, -0.0000026300000000, -0.0000813300000000 ] - [ -0.0000954600000000, -0.0000319900000000, 0.0000751100000000 ] - [ 0.0005766200000000, 0.0021650200000000, -0.0004137800000000 ] - [ 0.0011027800000000, -0.0019257200000000, 0.0012829200000000 ] - [ 0.0002568900000000, 0.0000160400000000, 0.0000248500000000 ] - [ 0.0000923500000000, 0.0001623700000000, -0.0001412700000000 ] - [ -0.0000136200000000, -0.0000499800000000, -0.0000363200000000 ] - [ -0.0084737700000000, 0.0091881500000000, -0.0277924400000000 ] - [ 0.0000428000000000, -0.0001817300000000, 0.0000253700000000 ] - [ -0.0011471000000000, -0.0029185100000000, 0.0034171400000000 ] - [ 0.0003766200000000, -0.0003005500000000, 0.0007465500000000 ] - [ 0.0001243700000000, 0.0000006700000000, 0.0001640700000000 ] - [ 0.0011662500000000, -0.0004548500000000, 0.0002604500000000 ] - [ -0.0001265200000000, -0.0000488300000000, 0.0001095100000000 ] - [ -0.0001745200000000, 0.0000483500000000, 0.0000970600000000 ] - [ -0.0001261500000000, -0.0000847700000000, 0.0000672200000000 ] - [ 0.0007122000000000, -0.0001178200000000, 0.0005660100000000 ] - [ 0.0000789300000000, -0.0000116600000000, -0.0000455500000000 ] - [ 0.0000951500000000, -0.0000637800000000, 0.0000341000000000 ] - [ -0.0002349300000000, 0.0001553300000000, 0.0005748000000000 ] - [ 0.0017640000000000, 0.0026353200000000, 0.0028615400000000 ] - [ 0.0000231200000000, -0.0000306800000000, -0.0002615700000000 ] - [ 0.0000778900000000, 0.0001668000000000, -0.0000813200000000 ] - [ -0.0002025300000000, -0.0003635200000000, -0.0003535200000000 ] - [ -0.0013382500000000, 0.0006829200000000, 0.0030979800000000 ] - [ -0.0000953500000000, 0.0001242700000000, -0.0004721400000000 ] - [ 0.0068086300000000, 0.0021022600000000, 0.0059579000000000 ] - [ -0.0005040600000000, 0.0006152500000000, 0.0009194600000000 ] - [ -0.0003295900000000, 0.0001769500000000, -0.0000876600000000 ] - [ 0.0000075300000000, 0.0000786100000000, -0.0000731300000000 ] - [ 0.0006867700000000, 0.0003079500000000, -0.0006881400000000 ] - [ 0.0000383700000000, 0.0000768100000000, -0.0001993000000000 ] - [ -0.0001547400000000, 0.0000056700000000, 0.0001587200000000 ] - [ 0.0001352100000000, -0.0000170100000000, 0.0000247900000000 ] - [ 0.0000344800000000, -0.0000508100000000, 0.0000722400000000 ] - [ 0.0001453400000000, 0.0000675700000000, -0.0001267800000000 ] - [ 0.0001548000000000, 0.0000366800000000, -0.0001119800000000 ] - [ -0.0001504200000000, -0.0002763700000000, 0.0004255500000000 ] - [ 0.0000187000000000, 0.0000995300000000, -0.0000461400000000 ] - [ -0.0000811300000000, 0.0001415200000000, -0.0002198900000000 ] - [ 0.0001545700000000, 0.0002003900000000, -0.0000093700000000 ] - [ 0.0000382700000000, -0.0000990800000000, 0.0001027000000000 ] - [ 0.0001170300000000, -0.0000263500000000, -0.0002305200000000 ] - [ 0.0000751600000000, 0.0001132300000000, -0.0003137400000000 ] - [ 0.0012038400000000, -0.0109147800000000, 0.0082870500000000 ] - [ -0.0009399900000000, -0.0001081500000000, 0.0015947500000000 ] - [ -0.0000459000000000, -0.0000049700000000, -0.0000850300000000 ] - [ -0.0004863400000000, -0.0007721300000000, -0.0007152400000000 ] - [ 0.0000026600000000, 0.0000248600000000, 0.0000740200000000 ]- atom: 47 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ -0.0002484700000000, 0.0001280900000000, 0.0005151100000000 ] - [ 0.0000900900000000, -0.0000164600000000, -0.0000016400000000 ] - [ -0.0001195400000000, 0.0000945900000000, 0.0000540400000000 ] - [ -0.0001433100000000, -0.0001101900000000, 0.0000221500000000 ] - [ 0.0001476500000000, -0.0000818500000000, 0.0000409700000000 ] - [ 0.0000551800000000, 0.0002143200000000, -0.0000219500000000 ] - [ -0.0000908300000000, -0.0000765000000000, -0.0000468500000000 ] - [ -0.0000541700000000, -0.0000260900000000, 0.0002240400000000 ] - [ 0.0001365600000000, -0.0001753300000000, -0.0001359800000000 ] - [ 0.0000599300000000, 0.0003012200000000, -0.0000683200000000 ] - [ 0.0009352900000000, 0.0011807200000000, -0.0003497700000000 ] - [ 0.0001023700000000, 0.0002302800000000, 0.0000147800000000 ] - [ -0.0000600800000000, -0.0001001200000000, 0.0001115600000000 ] - [ -0.0002890600000000, -0.0008255700000000, -0.0003484500000000 ] - [ 0.0001459700000000, -0.0000627400000000, 0.0001009800000000 ] - [ -0.0000202500000000, 0.0002152700000000, 0.0000748400000000 ] - [ 0.0000081700000000, -0.0002052400000000, 0.0000843000000000 ] - [ -0.0001270700000000, 0.0001763600000000, -0.0000047700000000 ] - [ 0.0000764300000000, -0.0000060600000000, 0.0002224900000000 ] - [ 0.0000382900000000, 0.0000329400000000, 0.0002576400000000 ] - [ -0.0000705100000000, 0.0000431800000000, 0.0000889300000000 ] - [ -0.0000943300000000, -0.0000091000000000, 0.0000565800000000 ] - [ -0.0001547100000000, -0.0002580900000000, 0.0000493900000000 ] - [ -0.0001902900000000, 0.0001974900000000, -0.0000023200000000 ] - [ -0.0000455900000000, -0.0000504900000000, -0.0002337500000000 ] - [ -0.0000384900000000, 0.0001136700000000, -0.0001069400000000 ] - [ -0.0000916300000000, -0.0001465600000000, 0.0000815700000000 ] - [ -0.0000733000000000, 0.0000902500000000, -0.0000022000000000 ] - [ 0.0000239100000000, 0.0000451800000000, -0.0002208700000000 ] - [ 0.0000798900000000, -0.0000114100000000, -0.0001685600000000 ] - [ -0.0000674700000000, -0.0000699700000000, 0.0000431300000000 ] - [ -0.0000015700000000, 0.0000983300000000, -0.0000188800000000 ] - [ -0.0000152100000000, 0.0001294100000000, -0.0000502300000000 ] - [ -0.0000121300000000, -0.0001117700000000, -0.0000864000000000 ] - [ 0.0000254400000000, 0.0001300500000000, -0.0000088200000000 ] - [ 0.0008624200000000, 0.0002594400000000, 0.0002933600000000 ] - [ -0.0007322300000000, -0.0006974600000000, -0.0004125100000000 ] - [ 0.0001175300000000, -0.0001127700000000, -0.0002547900000000 ] - [ -0.0001660200000000, -0.0000253800000000, -0.0001540000000000 ] - [ -0.0000048200000000, 0.0000628500000000, 0.0000191900000000 ] - [ 0.0000202100000000, -0.0000422500000000, -0.0001058400000000 ] - [ -0.0006439100000000, -0.0020950600000000, 0.0003930800000000 ] - [ -0.0006199200000000, 0.0018779600000000, -0.0012872400000000 ] - [ 0.0002500100000000, 0.0000551100000000, -0.0000200500000000 ] - [ -0.0000886800000000, -0.0000665000000000, -0.0000121200000000 ] - [ 0.0000166800000000, -0.0000463500000000, -0.0001177200000000 ] - [ 0.0084425100000000, -0.0085846400000000, 0.0277487400000000 ] - [ 0.0000403800000000, -0.0002303200000000, -0.0001511600000000 ] - [ 0.0014195500000000, 0.0026400400000000, -0.0033999400000000 ] - [ -0.0000969700000000, 0.0005173500000000, -0.0008384100000000 ] - [ 0.0001928500000000, -0.0000256400000000, -0.0000026400000000 ] - [ -0.0008541400000000, 0.0004788100000000, -0.0000945400000000 ] - [ -0.0001504000000000, -0.0000224700000000, 0.0001163400000000 ] - [ -0.0001017700000000, 0.0000239900000000, 0.0001289500000000 ] - [ 0.0000163000000000, -0.0000175800000000, -0.0000581000000000 ] - [ -0.0008172700000000, 0.0002161700000000, -0.0005522900000000 ] - [ 0.0000578900000000, -0.0000516700000000, 0.0000274000000000 ] - [ 0.0000417900000000, 0.0001284700000000, -0.0000528000000000 ] - [ 0.0001227900000000, 0.0001595400000000, -0.0003266800000000 ] - [ -0.0019124800000000, -0.0029855300000000, -0.0026906900000000 ] - [ 0.0001479000000000, -0.0002805700000000, 0.0000522600000000 ] - [ 0.0000926500000000, 0.0001428000000000, -0.0001309600000000 ] - [ 0.0001613000000000, 0.0001635000000000, 0.0002095600000000 ] - [ 0.0014089000000000, -0.0005021000000000, -0.0034167200000000 ] - [ -0.0002349100000000, 0.0000931000000000, 0.0000943600000000 ] - [ -0.0071768600000000, -0.0022709000000000, -0.0062865500000000 ] - [ 0.0003222300000000, -0.0004584400000000, -0.0009370900000000 ] - [ 0.0001465900000000, -0.0003359100000000, 0.0000528100000000 ] - [ 0.0000658900000000, 0.0000633500000000, -0.0000505200000000 ] - [ -0.0006166200000000, -0.0004649600000000, 0.0005615300000000 ] - [ -0.0000096900000000, -0.0000418900000000, 0.0001333200000000 ] - [ 0.0001794300000000, -0.0000397300000000, -0.0002271800000000 ] - [ 0.0000593000000000, -0.0000131800000000, 0.0000067500000000 ] - [ 0.0001614200000000, 0.0000809600000000, -0.0000449600000000 ] - [ 0.0001716600000000, -0.0000048500000000, -0.0000655500000000 ] - [ 0.0001617700000000, -0.0001006300000000, -0.0000817100000000 ] - [ -0.0000451700000000, 0.0000241500000000, -0.0003248100000000 ] - [ -0.0002150300000000, 0.0001540500000000, 0.0001459900000000 ] - [ 0.0000920100000000, 0.0000186700000000, 0.0002885000000000 ] - [ -0.0001421000000000, -0.0003606900000000, 0.0000765700000000 ] - [ 0.0001196700000000, -0.0000034700000000, -0.0002076900000000 ] - [ 0.0000426300000000, 0.0001264100000000, 0.0001243500000000 ] - [ -0.0002855000000000, -0.0000501000000000, 0.0003644100000000 ] - [ -0.0013284100000000, 0.0107088900000000, -0.0082708600000000 ] - [ 0.0008718300000000, -0.0000735200000000, -0.0015178700000000 ] - [ -0.0000149100000000, 0.0001967200000000, 0.0001683400000000 ] - [ 0.0005083400000000, 0.0007246600000000, 0.0008544300000000 ] - [ 0.0000262300000000, 0.0000097700000000, 0.0000679200000000 ]- atom: 49 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ -0.0002865600000000, 0.0003074600000000, 0.0004312800000000 ] - [ 0.0000815400000000, -0.0000186000000000, -0.0000835200000000 ] - [ -0.0001375400000000, 0.0001326200000000, -0.0000035100000000 ] - [ -0.0001848000000000, -0.0000996900000000, 0.0000636600000000 ] - [ 0.0003626600000000, 0.0030011300000000, -0.0001348500000000 ] - [ 0.0000515400000000, 0.0001808000000000, 0.0000208600000000 ] - [ -0.0001416700000000, 0.0000193900000000, -0.0000520900000000 ] - [ 0.0000613800000000, 0.0002546400000000, 0.0003031900000000 ] - [ -0.0000555200000000, -0.0002570900000000, -0.0000558300000000 ] - [ 0.0000507700000000, 0.0003405300000000, -0.0000547100000000 ] - [ 0.0022123200000000, -0.0016393300000000, 0.0024072300000000 ] - [ -0.0000544700000000, 0.0000360800000000, 0.0001380600000000 ] - [ -0.0001287600000000, -0.0001028700000000, 0.0001767400000000 ] - [ -0.0000654000000000, 0.0000689600000000, 0.0002750200000000 ] - [ 0.0058330500000000, 0.0019656600000000, 0.0007699400000000 ] - [ 0.0000490400000000, 0.0001779500000000, 0.0000864000000000 ] - [ 0.0000702900000000, -0.0002101600000000, 0.0000806300000000 ] - [ 0.0001361600000000, 0.0002338500000000, 0.0000720800000000 ] - [ 0.0002264800000000, -0.0000257000000000, 0.0001771600000000 ] - [ 0.0001464400000000, 0.0000282900000000, 0.0002089700000000 ] - [ -0.0000177600000000, 0.0001255800000000, 0.0001013500000000 ] - [ -0.0000526300000000, -0.0000286000000000, 0.0001023000000000 ] - [ 0.0000145900000000, -0.0001529300000000, -0.0000527400000000 ] - [ -0.0000633700000000, 0.0001905900000000, -0.0000126900000000 ] - [ 0.0002189200000000, -0.0000788700000000, -0.0000214900000000 ] - [ 0.0000266300000000, 0.0000703300000000, -0.0001526900000000 ] - [ -0.0000308200000000, -0.0000374900000000, 0.0000056200000000 ] - [ -0.0000541500000000, 0.0001040300000000, 0.0000937500000000 ] - [ 0.0001481700000000, -0.0000158100000000, -0.0001181900000000 ] - [ 0.0000796600000000, -0.0000224900000000, -0.0001693500000000 ] - [ -0.0000236400000000, -0.0000690600000000, 0.0000254200000000 ] - [ -0.0000115500000000, 0.0000189100000000, 0.0001417500000000 ] - [ 0.0000256300000000, 0.0001297700000000, -0.0000994200000000 ] - [ 0.0000615500000000, -0.0001398600000000, -0.0000205800000000 ] - [ 0.0003265900000000, -0.0000833000000000, 0.0003575100000000 ] - [ 0.0000681900000000, -0.0000413600000000, -0.0000110700000000 ] - [ 0.0000380500000000, 0.0002492600000000, -0.0002517800000000 ] - [ -0.0000543600000000, 0.0000173700000000, -0.0000600400000000 ] - [ 0.0011569000000000, -0.0009632300000000, 0.0012164600000000 ] - [ -0.0000921400000000, 0.0000553200000000, -0.0000599900000000 ] - [ -0.0001314100000000, 0.0000584000000000, 0.0000575700000000 ] - [ -0.0012246300000000, -0.0008497900000000, -0.0007175200000000 ] - [ 0.0010987500000000, -0.0025032300000000, -0.0015734700000000 ] - [ 0.0002471400000000, 0.0000768000000000, 0.0000184300000000 ] - [ -0.0001589900000000, 0.0001668700000000, -0.0000374300000000 ] - [ -0.0000008900000000, 0.0000206000000000, -0.0000826100000000 ] - [ 0.0001498400000000, 0.0006110200000000, -0.0013330700000000 ] - [ -0.0002062600000000, 0.0000446600000000, 0.0001721500000000 ] - [ -0.0598682200000000, -0.0144811500000000, -0.0014779000000000 ] - [ 0.0001080800000000, 0.0000984000000000, 0.0000034200000000 ] - [ 0.0044601500000000, -0.0002875500000000, -0.0028872400000000 ] - [ 0.0002298600000000, -0.0001165000000000, 0.0001284300000000 ] - [ -0.0001161700000000, -0.0000334300000000, 0.0001278400000000 ] - [ 0.0000306100000000, 0.0001081800000000, 0.0001951000000000 ] - [ -0.0000662000000000, -0.0000498000000000, 0.0000021300000000 ] - [ 0.0060346000000000, 0.0005571800000000, -0.0021834200000000 ] - [ -0.0000327800000000, -0.0000071100000000, 0.0001030000000000 ] - [ -0.0000362500000000, 0.0001307000000000, -0.0000585200000000 ] - [ -0.0000625200000000, -0.0003242600000000, 0.0003482900000000 ] - [ -0.0001022600000000, -0.0001870200000000, 0.0002189300000000 ] - [ 0.0001099100000000, 0.0000043400000000, -0.0001594600000000 ] - [ 0.0001665800000000, 0.0001090600000000, -0.0001108300000000 ] - [ 0.0014681200000000, 0.0018840300000000, 0.0004665700000000 ] - [ 0.0000401500000000, 0.0002231700000000, -0.0000446100000000 ] - [ 0.0003133100000000, 0.0003773200000000, -0.0003250100000000 ] - [ 0.0000801500000000, -0.0001010800000000, 0.0005805500000000 ] - [ 0.0283086700000000, 0.0131790100000000, 0.0134444400000000 ] - [ -0.0000498900000000, 0.0000165600000000, -0.0001008300000000 ] - [ -0.0000223900000000, 0.0000270300000000, 0.0000055300000000 ] - [ -0.0002302400000000, -0.0000074900000000, 0.0000334300000000 ] - [ -0.0007571800000000, -0.0002657500000000, 0.0001343800000000 ] - [ -0.0001588700000000, 0.0000778700000000, -0.0000264100000000 ] - [ -0.0000217700000000, -0.0001124800000000, -0.0000019800000000 ] - [ 0.0000306600000000, 0.0000512200000000, -0.0000730900000000 ] - [ 0.0000480900000000, -0.0000027100000000, -0.0000297900000000 ] - [ 0.0000165300000000, -0.0001534400000000, -0.0001112500000000 ] - [ -0.0004293600000000, -0.0010747500000000, 0.0003172900000000 ] - [ -0.0001642600000000, 0.0002107500000000, -0.0001489700000000 ] - [ -0.0007484000000000, 0.0004284200000000, -0.0006237000000000 ] - [ -0.0000043900000000, -0.0001051300000000, 0.0000669000000000 ] - [ 0.0001884900000000, -0.0001602000000000, -0.0000492400000000 ] - [ 0.0000807600000000, 0.0001457600000000, -0.0005240200000000 ] - [ -0.0000854600000000, -0.0001816300000000, -0.0001331300000000 ] - [ 0.0117516800000000, -0.0003437600000000, -0.0088450600000000 ] - [ -0.0008115700000000, -0.0010412200000000, -0.0015665000000000 ] - [ 0.0000173400000000, -0.0001932100000000, 0.0000195800000000 ] - [ 0.0005012200000000, 0.0003323400000000, 0.0008780300000000 ] - [ 0.0000182500000000, -0.0000790400000000, 0.0000622500000000 ]- atom: 49 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0004452700000000, -0.0003286400000000, -0.0005705200000000 ] - [ 0.0000585900000000, 0.0000389500000000, -0.0000520500000000 ] - [ -0.0001205400000000, 0.0000396600000000, 0.0000731500000000 ] - [ -0.0000737600000000, -0.0000724300000000, 0.0000061400000000 ] - [ -0.0002392300000000, -0.0033689200000000, 0.0001262200000000 ] - [ 0.0000699200000000, 0.0001568400000000, -0.0000475400000000 ] - [ -0.0000349800000000, -0.0001892600000000, 0.0000633300000000 ] - [ -0.0002400800000000, -0.0000866400000000, -0.0002909600000000 ] - [ 0.0001941900000000, -0.0003206800000000, -0.0000646900000000 ] - [ 0.0000879500000000, 0.0002351800000000, -0.0000664600000000 ] - [ -0.0022295500000000, 0.0014041700000000, -0.0022012800000000 ] - [ 0.0001040800000000, 0.0002348700000000, 0.0001097300000000 ] - [ 0.0000206900000000, -0.0000697900000000, 0.0001252400000000 ] - [ -0.0000427400000000, 0.0001033100000000, 0.0000269200000000 ] - [ -0.0058119900000000, -0.0023468600000000, -0.0006258600000000 ] - [ 0.0000238700000000, 0.0001809800000000, 0.0000843500000000 ] - [ -0.0000944900000000, -0.0001955900000000, 0.0000571400000000 ] - [ -0.0001612200000000, 0.0001720000000000, 0.0000658300000000 ] - [ -0.0000932300000000, 0.0000203400000000, 0.0003082600000000 ] - [ -0.0000136000000000, -0.0000228900000000, 0.0002760000000000 ] - [ -0.0001526200000000, -0.0000998200000000, 0.0000445200000000 ] - [ -0.0001178700000000, 0.0000028000000000, 0.0000434400000000 ] - [ -0.0004118900000000, -0.0002483300000000, 0.0000882900000000 ] - [ -0.0003340700000000, 0.0002159700000000, 0.0000500500000000 ] - [ -0.0002488200000000, -0.0000810100000000, -0.0002456100000000 ] - [ -0.0000570400000000, 0.0000891500000000, -0.0001176700000000 ] - [ -0.0001346000000000, -0.0001911200000000, 0.0000594700000000 ] - [ -0.0001118500000000, 0.0001252100000000, -0.0000298400000000 ] - [ -0.0000199100000000, 0.0001050100000000, -0.0001939800000000 ] - [ 0.0000491300000000, -0.0000670100000000, -0.0001441700000000 ] - [ -0.0000393000000000, -0.0001005200000000, 0.0000126700000000 ] - [ -0.0000520800000000, 0.0001508900000000, -0.0001039000000000 ] - [ -0.0000351000000000, 0.0000874900000000, -0.0000234100000000 ] - [ -0.0000715000000000, -0.0000766500000000, -0.0001018300000000 ] - [ -0.0002329100000000, 0.0003501700000000, -0.0002292000000000 ] - [ 0.0000253700000000, -0.0002259400000000, 0.0001377200000000 ] - [ -0.0001106200000000, -0.0002567500000000, 0.0000283600000000 ] - [ -0.0000173600000000, -0.0000090800000000, -0.0001632200000000 ] - [ -0.0012841100000000, 0.0008853300000000, -0.0012636900000000 ] - [ -0.0000465400000000, 0.0000066000000000, -0.0000079300000000 ] - [ 0.0000537600000000, -0.0001343500000000, -0.0000914000000000 ] - [ 0.0011318600000000, 0.0009374800000000, 0.0007216100000000 ] - [ -0.0005911500000000, 0.0024164700000000, 0.0015726800000000 ] - [ 0.0002580200000000, -0.0000062800000000, -0.0000136800000000 ] - [ 0.0001655800000000, -0.0000713900000000, -0.0001196700000000 ] - [ 0.0000053500000000, -0.0001196000000000, -0.0000728100000000 ] - [ -0.0000652600000000, -0.0002027200000000, 0.0012280300000000 ] - [ 0.0002955400000000, -0.0004663300000000, -0.0003048900000000 ] - [ 0.0616267200000000, 0.0150425600000000, 0.0021527000000000 ] - [ 0.0001771400000000, 0.0001058000000000, -0.0000788900000000 ] - [ -0.0042275200000000, 0.0002718000000000, 0.0031169200000000 ] - [ 0.0000866200000000, 0.0001402500000000, 0.0000310800000000 ] - [ -0.0001578000000000, -0.0000357900000000, 0.0000969700000000 ] - [ -0.0003070600000000, -0.0000390000000000, 0.0000270300000000 ] - [ -0.0000473900000000, -0.0000540500000000, 0.0000080500000000 ] - [ -0.0060027000000000, -0.0004375100000000, 0.0021396500000000 ] - [ 0.0001717000000000, -0.0000585900000000, -0.0001203500000000 ] - [ 0.0001739500000000, -0.0000657000000000, 0.0000427900000000 ] - [ -0.0000359800000000, 0.0006141600000000, -0.0001261700000000 ] - [ -0.0000010800000000, -0.0001176000000000, 0.0000125100000000 ] - [ 0.0000599800000000, -0.0003164000000000, -0.0000545700000000 ] - [ 0.0000027800000000, 0.0002021800000000, -0.0001013900000000 ] - [ -0.0014567600000000, -0.0019927500000000, -0.0005798800000000 ] - [ -0.0000780900000000, -0.0000207300000000, -0.0001011500000000 ] - [ -0.0006567900000000, -0.0001599200000000, -0.0000463900000000 ] - [ -0.0004176000000000, -0.0001098200000000, -0.0009573900000000 ] - [ -0.0299319400000000, -0.0138036800000000, -0.0141011500000000 ] - [ -0.0001422200000000, -0.0001764800000000, 0.0000730100000000 ] - [ 0.0000908200000000, 0.0001163300000000, -0.0001306200000000 ] - [ 0.0002807500000000, -0.0001533000000000, -0.0001749300000000 ] - [ 0.0007858900000000, 0.0003032000000000, -0.0002019800000000 ] - [ 0.0001862700000000, -0.0001167500000000, -0.0000416100000000 ] - [ 0.0002180200000000, 0.0000847300000000, 0.0000327400000000 ] - [ 0.0001679700000000, -0.0000227700000000, 0.0001061900000000 ] - [ 0.0002710600000000, 0.0000646900000000, -0.0001635000000000 ] - [ 0.0003026300000000, 0.0000942100000000, -0.0000828200000000 ] - [ 0.0002382700000000, 0.0008025500000000, -0.0002123200000000 ] - [ -0.0000296300000000, 0.0000462500000000, 0.0002509800000000 ] - [ 0.0007629400000000, -0.0002632600000000, 0.0006781600000000 ] - [ 0.0000179400000000, -0.0000559300000000, -0.0000029100000000 ] - [ -0.0000289600000000, 0.0000633300000000, -0.0000537800000000 ] - [ 0.0000789200000000, -0.0000508000000000, 0.0004232500000000 ] - [ -0.0001147800000000, 0.0002477200000000, 0.0001852700000000 ] - [ -0.0119789700000000, 0.0002494800000000, 0.0087442200000000 ] - [ 0.0007467000000000, 0.0008409900000000, 0.0016416400000000 ] - [ -0.0000740200000000, 0.0003966700000000, 0.0000626500000000 ] - [ -0.0004669500000000, -0.0003541200000000, -0.0007376100000000 ] - [ 0.0000100100000000, 0.0001177700000000, 0.0000807300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003634800000000, -0.0005298800000000, 0.0005603800000000 ] - [ 0.0000847000000000, -0.0000319700000000, -0.0001171500000000 ] - [ -0.0001742900000000, 0.0001112700000000, 0.0000032700000000 ] - [ -0.0001552300000000, -0.0001236600000000, 0.0000565200000000 ] - [ 0.0014602100000000, 0.0041099400000000, 0.0010470000000000 ] - [ 0.0000595300000000, 0.0002295300000000, 0.0001015000000000 ] - [ -0.0002733500000000, 0.0002921700000000, 0.0000317700000000 ] - [ 0.0000463700000000, 0.0003619900000000, 0.0003846700000000 ] - [ 0.0000811900000000, -0.0001399500000000, 0.0000616400000000 ] - [ 0.0000350600000000, 0.0003981700000000, -0.0000372500000000 ] - [ -0.0010048100000000, -0.0009339000000000, -0.0009819900000000 ] - [ -0.0000706300000000, 0.0000016700000000, 0.0002575400000000 ] - [ -0.0001879800000000, -0.0000371300000000, 0.0002078600000000 ] - [ 0.0000102100000000, -0.0000607300000000, 0.0001405000000000 ] - [ 0.0036116200000000, 0.0011964100000000, -0.0004716100000000 ] - [ -0.0000010700000000, 0.0001869400000000, 0.0001130600000000 ] - [ -0.0000459100000000, -0.0001859200000000, 0.0000434500000000 ] - [ 0.0000278800000000, 0.0001857900000000, 0.0001258100000000 ] - [ 0.0001528100000000, -0.0000589900000000, 0.0001883100000000 ] - [ 0.0000933400000000, 0.0000379600000000, 0.0002286700000000 ] - [ -0.0000467000000000, 0.0001174800000000, 0.0000774600000000 ] - [ -0.0000781400000000, -0.0000093100000000, 0.0001056800000000 ] - [ -0.0001647800000000, -0.0001798400000000, -0.0000080300000000 ] - [ -0.0002075700000000, 0.0001471800000000, 0.0000290900000000 ] - [ 0.0000395800000000, -0.0000773500000000, -0.0001419300000000 ] - [ -0.0000004800000000, 0.0000861300000000, -0.0001328900000000 ] - [ -0.0000621200000000, -0.0000672300000000, -0.0000206400000000 ] - [ -0.0000671300000000, 0.0001096200000000, 0.0001288000000000 ] - [ 0.0000776300000000, -0.0000183600000000, -0.0002294900000000 ] - [ 0.0000771700000000, -0.0000112000000000, -0.0001382900000000 ] - [ -0.0000492500000000, -0.0000436600000000, 0.0000149500000000 ] - [ -0.0000907500000000, 0.0000394900000000, 0.0001798400000000 ] - [ -0.0000822200000000, 0.0002936200000000, -0.0000741300000000 ] - [ 0.0000216900000000, -0.0001024500000000, -0.0000366900000000 ] - [ 0.0002725400000000, -0.0000520000000000, 0.0002431700000000 ] - [ 0.0000564200000000, -0.0001152100000000, 0.0000404500000000 ] - [ 0.0000753500000000, 0.0001916200000000, -0.0002658900000000 ] - [ -0.0000945400000000, 0.0000038300000000, -0.0000192300000000 ] - [ -0.0005811100000000, 0.0003964600000000, -0.0005549600000000 ] - [ -0.0000708200000000, 0.0000714100000000, -0.0000379900000000 ] - [ 0.0000106700000000, 0.0000843400000000, 0.0000902400000000 ] - [ -0.0025313600000000, 0.0003820200000000, 0.0020142500000000 ] - [ -0.0003814900000000, 0.0028832400000000, 0.0015041700000000 ] - [ 0.0003116100000000, 0.0001436200000000, 0.0000746700000000 ] - [ -0.0000220000000000, 0.0002368200000000, 0.0000460800000000 ] - [ 0.0001171700000000, 0.0002487500000000, -0.0001153700000000 ] - [ -0.0001136700000000, -0.0002595100000000, -0.0028550900000000 ] - [ -0.0001769000000000, 0.0002617800000000, 0.0003485500000000 ] - [ -0.0145029700000000, -0.0371725500000000, -0.0264420800000000 ] - [ 0.0001468100000000, 0.0000752700000000, 0.0000575600000000 ] - [ -0.0005061800000000, -0.0005006300000000, 0.0002240900000000 ] - [ 0.0002028200000000, -0.0001421700000000, 0.0001589400000000 ] - [ -0.0001699800000000, -0.0000108700000000, 0.0000936100000000 ] - [ 0.0000443000000000, 0.0001226200000000, 0.0001894800000000 ] - [ -0.0000144700000000, -0.0000704100000000, 0.0000427400000000 ] - [ 0.0013681500000000, -0.0003642000000000, -0.0007339000000000 ] - [ -0.0000195900000000, 0.0000731600000000, 0.0001525300000000 ] - [ 0.0000288300000000, 0.0002422600000000, -0.0001183600000000 ] - [ -0.0016020900000000, 0.0047912900000000, 0.0013333300000000 ] - [ -0.0001339100000000, -0.0002548400000000, 0.0000951000000000 ] - [ 0.0001802900000000, -0.0002510200000000, 0.0001341400000000 ] - [ 0.0001495500000000, 0.0000327300000000, -0.0002014200000000 ] - [ 0.0023450800000000, 0.0028421200000000, 0.0010381600000000 ] - [ -0.0000655700000000, 0.0003860400000000, -0.0000502100000000 ] - [ 0.0003552300000000, 0.0003459800000000, -0.0009267300000000 ] - [ -0.0000244900000000, 0.0016119200000000, 0.0003992900000000 ] - [ 0.0120065900000000, 0.0107888400000000, 0.0098701300000000 ] - [ -0.0000099300000000, 0.0000265300000000, -0.0002134000000000 ] - [ 0.0001096200000000, 0.0000047900000000, 0.0000147300000000 ] - [ -0.0004995200000000, -0.0009894900000000, -0.0004535300000000 ] - [ 0.0001729700000000, 0.0002162100000000, -0.0000590600000000 ] - [ -0.0000166700000000, 0.0000017800000000, 0.0000309100000000 ] - [ 0.0001208000000000, -0.0001351100000000, 0.0000727600000000 ] - [ 0.0001057400000000, 0.0000599000000000, -0.0001945200000000 ] - [ 0.0000656900000000, -0.0000541300000000, 0.0000121800000000 ] - [ 0.0001582700000000, -0.0002417100000000, -0.0001309000000000 ] - [ -0.0003179300000000, -0.0003378100000000, 0.0001872700000000 ] - [ -0.0001136100000000, 0.0002526700000000, -0.0001523500000000 ] - [ -0.0003800300000000, 0.0003030400000000, -0.0000535100000000 ] - [ -0.0000095200000000, -0.0001017200000000, -0.0000246300000000 ] - [ 0.0001047600000000, -0.0003434800000000, 0.0000081800000000 ] - [ 0.0000680900000000, 0.0001141700000000, -0.0003645800000000 ] - [ -0.0002405400000000, -0.0002013800000000, -0.0001199700000000 ] - [ 0.0008080200000000, 0.0098098400000000, 0.0149337600000000 ] - [ 0.0000132900000000, -0.0010298200000000, -0.0006959200000000 ] - [ -0.0004097100000000, -0.0008581900000000, -0.0004822400000000 ] - [ 0.0001988300000000, 0.0014300800000000, 0.0000639900000000 ] - [ -0.0000689400000000, -0.0002426600000000, 0.0000937400000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002275400000000, 0.0005188500000000, -0.0007119800000000 ] - [ 0.0000568600000000, 0.0000514900000000, -0.0000207500000000 ] - [ -0.0000845600000000, 0.0000618700000000, 0.0000655900000000 ] - [ -0.0001036000000000, -0.0000489200000000, 0.0000120200000000 ] - [ -0.0013990900000000, -0.0045399600000000, -0.0010793700000000 ] - [ 0.0000619300000000, 0.0001052100000000, -0.0001277500000000 ] - [ 0.0000922800000000, -0.0004559200000000, -0.0000161800000000 ] - [ -0.0002238800000000, -0.0001938600000000, -0.0003692200000000 ] - [ 0.0000616700000000, -0.0004337300000000, -0.0001831400000000 ] - [ 0.0001049500000000, 0.0001788300000000, -0.0000835000000000 ] - [ 0.0010419800000000, 0.0006625200000000, 0.0012366500000000 ] - [ 0.0001209100000000, 0.0002693800000000, -0.0000084300000000 ] - [ 0.0000757200000000, -0.0001342000000000, 0.0000965900000000 ] - [ -0.0001207100000000, 0.0002328700000000, 0.0001645500000000 ] - [ -0.0035188500000000, -0.0015626300000000, 0.0006469000000000 ] - [ 0.0000732100000000, 0.0001716700000000, 0.0000566500000000 ] - [ 0.0000173100000000, -0.0002192800000000, 0.0000905000000000 ] - [ -0.0000562600000000, 0.0002200300000000, 0.0000084000000000 ] - [ -0.0000208900000000, 0.0000559200000000, 0.0002993500000000 ] - [ 0.0000382500000000, -0.0000339200000000, 0.0002589900000000 ] - [ -0.0001248300000000, -0.0000919400000000, 0.0000673800000000 ] - [ -0.0000938400000000, -0.0000142500000000, 0.0000393900000000 ] - [ -0.0002342300000000, -0.0002253500000000, 0.0000447500000000 ] - [ -0.0001911400000000, 0.0002573800000000, 0.0000073500000000 ] - [ -0.0000704100000000, -0.0000827000000000, -0.0001275300000000 ] - [ -0.0000299700000000, 0.0000745200000000, -0.0001360500000000 ] - [ -0.0001032900000000, -0.0001582400000000, 0.0000829300000000 ] - [ -0.0000982700000000, 0.0001166700000000, -0.0000656300000000 ] - [ 0.0000534500000000, 0.0001122200000000, -0.0000830500000000 ] - [ 0.0000548500000000, -0.0000819200000000, -0.0001737600000000 ] - [ -0.0000104700000000, -0.0001290600000000, 0.0000222200000000 ] - [ 0.0000304900000000, 0.0001339200000000, -0.0001418200000000 ] - [ 0.0000774600000000, -0.0000775300000000, -0.0000467500000000 ] - [ -0.0000265400000000, -0.0001117000000000, -0.0000833500000000 ] - [ -0.0001720700000000, 0.0003169400000000, -0.0001115200000000 ] - [ 0.0000411800000000, -0.0001524800000000, 0.0000894000000000 ] - [ -0.0001438000000000, -0.0001969600000000, 0.0000380700000000 ] - [ 0.0000246400000000, 0.0000033400000000, -0.0002063400000000 ] - [ 0.0004555900000000, -0.0004613200000000, 0.0005044500000000 ] - [ -0.0000655600000000, -0.0000115900000000, -0.0000244400000000 ] - [ -0.0000840900000000, -0.0001574300000000, -0.0001191400000000 ] - [ 0.0024483500000000, -0.0003143400000000, -0.0020202000000000 ] - [ 0.0009182400000000, -0.0030062600000000, -0.0015438000000000 ] - [ 0.0001966400000000, -0.0000715700000000, -0.0000694000000000 ] - [ 0.0000231700000000, -0.0001379600000000, -0.0001978800000000 ] - [ -0.0001126400000000, -0.0003402800000000, -0.0000387800000000 ] - [ 0.0002063400000000, 0.0006758300000000, 0.0027032700000000 ] - [ 0.0002584700000000, -0.0006689000000000, -0.0004685800000000 ] - [ 0.0149884900000000, 0.0367762800000000, 0.0265653800000000 ] - [ 0.0001364600000000, 0.0001318100000000, -0.0001315500000000 ] - [ 0.0008405600000000, 0.0004709500000000, -0.0000717100000000 ] - [ 0.0001145300000000, 0.0001650400000000, 0.0000044700000000 ] - [ -0.0001068100000000, -0.0000590200000000, 0.0001318200000000 ] - [ -0.0003200700000000, -0.0000509000000000, 0.0000361500000000 ] - [ -0.0000953700000000, -0.0000327400000000, -0.0000330400000000 ] - [ -0.0014870300000000, 0.0004563100000000, 0.0007445300000000 ] - [ 0.0001569000000000, -0.0001362800000000, -0.0001708200000000 ] - [ 0.0001076900000000, -0.0001755300000000, 0.0000977800000000 ] - [ 0.0014512300000000, -0.0043533000000000, -0.0010771400000000 ] - [ 0.0000283700000000, -0.0000520100000000, 0.0001380600000000 ] - [ -0.0000094700000000, -0.0000618300000000, -0.0003459500000000 ] - [ 0.0000212600000000, 0.0002764200000000, -0.0000114100000000 ] - [ -0.0022732100000000, -0.0029329700000000, -0.0011245700000000 ] - [ 0.0000237400000000, -0.0001815500000000, -0.0000962400000000 ] - [ -0.0006806100000000, -0.0001211300000000, 0.0005399100000000 ] - [ -0.0002988000000000, -0.0018351900000000, -0.0007742600000000 ] - [ -0.0124522500000000, -0.0106019200000000, -0.0100268600000000 ] - [ -0.0001758600000000, -0.0001825100000000, 0.0001794600000000 ] - [ -0.0000355300000000, 0.0001388400000000, -0.0001391000000000 ] - [ 0.0005676400000000, 0.0008522800000000, 0.0003158700000000 ] - [ -0.0001468300000000, -0.0001817500000000, -0.0000067000000000 ] - [ 0.0000434900000000, -0.0000370700000000, -0.0000989900000000 ] - [ 0.0000753000000000, 0.0001044700000000, -0.0000403900000000 ] - [ 0.0000908500000000, -0.0000292000000000, 0.0002244200000000 ] - [ 0.0002517200000000, 0.0001152100000000, -0.0002054200000000 ] - [ 0.0001579000000000, 0.0001782300000000, -0.0000637700000000 ] - [ 0.0001223000000000, 0.0000859800000000, -0.0000833100000000 ] - [ -0.0000822500000000, 0.0000046600000000, 0.0002519000000000 ] - [ 0.0003912200000000, -0.0001401200000000, 0.0001207000000000 ] - [ 0.0000233200000000, -0.0000570700000000, 0.0000896100000000 ] - [ 0.0000523500000000, 0.0002425700000000, -0.0001126800000000 ] - [ 0.0000925600000000, -0.0000160900000000, 0.0002593900000000 ] - [ 0.0000322600000000, 0.0002626300000000, 0.0001675900000000 ] - [ -0.0010071700000000, -0.0097767600000000, -0.0149680900000000 ] - [ -0.0000827500000000, 0.0008466400000000, 0.0007661100000000 ] - [ 0.0003415300000000, 0.0010394100000000, 0.0005523200000000 ] - [ -0.0001710800000000, -0.0015135100000000, 0.0000703900000000 ] - [ 0.0000960400000000, 0.0002754000000000, 0.0000491000000000 ]- atom: 49 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0006059300000000, 0.0005907400000000, 0.0004496600000000 ] - [ 0.0000772800000000, -0.0000731300000000, -0.0001409900000000 ] - [ -0.0002146800000000, 0.0000590900000000, -0.0000116000000000 ] - [ -0.0001391600000000, -0.0000985800000000, 0.0000595900000000 ] - [ -0.0013010900000000, -0.0013791000000000, -0.0009972300000000 ] - [ 0.0000560300000000, 0.0002404100000000, 0.0001747900000000 ] - [ -0.0001950200000000, 0.0001063400000000, 0.0000467400000000 ] - [ 0.0001577500000000, 0.0004218900000000, 0.0006392400000000 ] - [ 0.0000844600000000, -0.0001191700000000, -0.0001627100000000 ] - [ 0.0000486000000000, 0.0003721200000000, -0.0000269800000000 ] - [ 0.0001420300000000, -0.0007192600000000, 0.0009011900000000 ] - [ -0.0000516900000000, 0.0000389200000000, 0.0003078800000000 ] - [ -0.0001534700000000, -0.0000030900000000, 0.0001995600000000 ] - [ 0.0000922400000000, 0.0000069100000000, 0.0003022500000000 ] - [ 0.0040858000000000, 0.0004600100000000, -0.0011066700000000 ] - [ -0.0000028000000000, 0.0001759800000000, 0.0001436600000000 ] - [ -0.0000380800000000, -0.0002020000000000, 0.0000290600000000 ] - [ 0.0000267500000000, 0.0001616200000000, 0.0002048000000000 ] - [ 0.0001291400000000, -0.0000649700000000, 0.0001958200000000 ] - [ 0.0001025900000000, 0.0000186800000000, 0.0002277300000000 ] - [ -0.0000520100000000, 0.0000950400000000, 0.0000639500000000 ] - [ -0.0000656600000000, -0.0000390100000000, 0.0001446500000000 ] - [ -0.0001265100000000, -0.0002577500000000, -0.0000045100000000 ] - [ -0.0002931400000000, 0.0001617000000000, 0.0000836200000000 ] - [ -0.0000375200000000, -0.0000390400000000, -0.0003144500000000 ] - [ 0.0000026300000000, 0.0000828100000000, -0.0001045400000000 ] - [ -0.0000778000000000, -0.0000768300000000, -0.0000742400000000 ] - [ -0.0000716000000000, 0.0001441700000000, 0.0002415200000000 ] - [ 0.0001063200000000, -0.0000486000000000, -0.0002810800000000 ] - [ 0.0000775400000000, -0.0000384000000000, -0.0001003800000000 ] - [ -0.0000400800000000, -0.0000824700000000, -0.0000363100000000 ] - [ -0.0001551100000000, -0.0000797300000000, 0.0004561500000000 ] - [ -0.0000686300000000, 0.0002448000000000, -0.0000888100000000 ] - [ 0.0000595200000000, -0.0001742700000000, -0.0000042100000000 ] - [ 0.0002673300000000, -0.0000406100000000, 0.0002213000000000 ] - [ -0.0000494200000000, -0.0002183700000000, -0.0000051100000000 ] - [ 0.0001062900000000, 0.0001855400000000, -0.0002745300000000 ] - [ -0.0001907900000000, 0.0000875200000000, 0.0001452700000000 ] - [ 0.0016810000000000, -0.0010436100000000, 0.0012987000000000 ] - [ -0.0000994400000000, 0.0000571300000000, -0.0000426100000000 ] - [ -0.0000242900000000, 0.0000976500000000, 0.0000572300000000 ] - [ -0.0044892100000000, 0.0005368100000000, 0.0055616500000000 ] - [ -0.0006177000000000, 0.0018154900000000, -0.0007125800000000 ] - [ 0.0003457600000000, 0.0001720100000000, 0.0001255700000000 ] - [ -0.0000484000000000, 0.0001780300000000, -0.0000931200000000 ] - [ 0.0000623600000000, 0.0001100100000000, -0.0000832800000000 ] - [ 0.0006763400000000, -0.0016786600000000, 0.0033083900000000 ] - [ -0.0002335400000000, 0.0007523000000000, 0.0007367300000000 ] - [ -0.0018587800000000, -0.0261293900000000, -0.0747100000000000 ] - [ 0.0001849200000000, 0.0000060000000000, 0.0002361800000000 ] - [ -0.0041727900000000, -0.0002541600000000, 0.0021564100000000 ] - [ 0.0002309800000000, -0.0002248700000000, 0.0002218300000000 ] - [ -0.0001668200000000, -0.0000540300000000, 0.0000509700000000 ] - [ 0.0000921400000000, 0.0000731300000000, 0.0002361600000000 ] - [ -0.0000233800000000, -0.0000498100000000, 0.0001076200000000 ] - [ -0.0007575400000000, -0.0002017400000000, -0.0006001400000000 ] - [ -0.0000742500000000, 0.0000654800000000, 0.0002800500000000 ] - [ 0.0000436700000000, 0.0002271200000000, -0.0001592200000000 ] - [ -0.0003459000000000, 0.0014054000000000, 0.0006943000000000 ] - [ 0.0000396200000000, -0.0001949700000000, 0.0002552900000000 ] - [ 0.0001023800000000, -0.0000699400000000, 0.0001950300000000 ] - [ 0.0001714000000000, 0.0000262600000000, -0.0002668700000000 ] - [ -0.0004398600000000, -0.0003995100000000, -0.0003612700000000 ] - [ 0.0001710700000000, 0.0004848000000000, -0.0005300300000000 ] - [ 0.0003367900000000, -0.0002214500000000, -0.0007921600000000 ] - [ 0.0007914100000000, 0.0002109200000000, 0.0012250100000000 ] - [ 0.0118025300000000, 0.0093757700000000, 0.0164201800000000 ] - [ -0.0000647600000000, 0.0000658900000000, -0.0004051900000000 ] - [ 0.0001355000000000, 0.0000411300000000, -0.0000384400000000 ] - [ -0.0012531800000000, -0.0008929800000000, -0.0016857500000000 ] - [ 0.0008620100000000, 0.0006349400000000, -0.0001938800000000 ] - [ -0.0000890600000000, 0.0000622300000000, 0.0000355300000000 ] - [ 0.0001213900000000, -0.0001050800000000, 0.0001834100000000 ] - [ 0.0001360400000000, 0.0000995800000000, -0.0004099100000000 ] - [ 0.0000465900000000, 0.0000382700000000, 0.0000592600000000 ] - [ 0.0001480600000000, -0.0002183200000000, -0.0001424900000000 ] - [ -0.0002721800000000, -0.0002009100000000, 0.0002614100000000 ] - [ -0.0000165600000000, 0.0002093200000000, -0.0003078400000000 ] - [ -0.0008443400000000, 0.0000267000000000, 0.0003751000000000 ] - [ 0.0000390200000000, -0.0000336000000000, -0.0001542100000000 ] - [ 0.0001142300000000, -0.0002332600000000, 0.0000520700000000 ] - [ -0.0000561800000000, 0.0001785900000000, -0.0010539400000000 ] - [ -0.0002553500000000, -0.0004138100000000, -0.0003052400000000 ] - [ -0.0057471700000000, 0.0160520500000000, 0.0469659000000000 ] - [ 0.0000710500000000, -0.0002241400000000, -0.0012358100000000 ] - [ -0.0003103500000000, -0.0005038000000000, -0.0001506900000000 ] - [ 0.0010325200000000, 0.0006263000000000, 0.0018808700000000 ] - [ -0.0000816900000000, -0.0001812100000000, -0.0000502700000000 ]- atom: 49 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ -0.0004889000000000, -0.0006313800000000, -0.0005926500000000 ] - [ 0.0000633000000000, 0.0000920900000000, 0.0000054800000000 ] - [ -0.0000437500000000, 0.0001132800000000, 0.0000815700000000 ] - [ -0.0001187800000000, -0.0000734400000000, 0.0000100400000000 ] - [ 0.0014388300000000, 0.0010695100000000, 0.0009697400000000 ] - [ 0.0000653800000000, 0.0000980600000000, -0.0001990600000000 ] - [ 0.0000171700000000, -0.0002731800000000, -0.0000366000000000 ] - [ -0.0003372500000000, -0.0002557900000000, -0.0006305000000000 ] - [ 0.0000550800000000, -0.0004569700000000, 0.0000438900000000 ] - [ 0.0000895500000000, 0.0002045800000000, -0.0000936500000000 ] - [ -0.0000768300000000, 0.0004433500000000, -0.0006493900000000 ] - [ 0.0001007100000000, 0.0002317700000000, -0.0000582900000000 ] - [ 0.0000440700000000, -0.0001686300000000, 0.0001024200000000 ] - [ -0.0001984900000000, 0.0001666000000000, 0.0000019300000000 ] - [ -0.0040242400000000, -0.0008069200000000, 0.0013002200000000 ] - [ 0.0000748800000000, 0.0001831400000000, 0.0000285300000000 ] - [ 0.0000142100000000, -0.0002043000000000, 0.0001092400000000 ] - [ -0.0000504800000000, 0.0002441700000000, -0.0000652900000000 ] - [ 0.0000047200000000, 0.0000587000000000, 0.0002889100000000 ] - [ 0.0000303900000000, -0.0000132300000000, 0.0002576100000000 ] - [ -0.0001175700000000, -0.0000689700000000, 0.0000823000000000 ] - [ -0.0001037400000000, 0.0000125900000000, 0.0000021200000000 ] - [ -0.0002693600000000, -0.0001495900000000, 0.0000422400000000 ] - [ -0.0001038900000000, 0.0002449800000000, -0.0000456200000000 ] - [ 0.0000071000000000, -0.0001192400000000, 0.0000418700000000 ] - [ -0.0000323100000000, 0.0000764200000000, -0.0001644400000000 ] - [ -0.0000876500000000, -0.0001525400000000, 0.0001382400000000 ] - [ -0.0000934800000000, 0.0000855800000000, -0.0001755800000000 ] - [ 0.0000222600000000, 0.0001367800000000, -0.0000332600000000 ] - [ 0.0000516100000000, -0.0000511200000000, -0.0002114800000000 ] - [ -0.0000225100000000, -0.0000876000000000, 0.0000731100000000 ] - [ 0.0000923000000000, 0.0002474000000000, -0.0004167800000000 ] - [ 0.0000590700000000, -0.0000280100000000, -0.0000335800000000 ] - [ -0.0000688500000000, -0.0000433400000000, -0.0001182200000000 ] - [ -0.0001715000000000, 0.0003068900000000, -0.0000931500000000 ] - [ 0.0001440600000000, -0.0000494800000000, 0.0001342200000000 ] - [ -0.0001768600000000, -0.0001942400000000, 0.0000512100000000 ] - [ 0.0001209500000000, -0.0000792600000000, -0.0003687400000000 ] - [ -0.0017894200000000, 0.0009619900000000, -0.0013468500000000 ] - [ -0.0000382400000000, 0.0000051100000000, -0.0000244300000000 ] - [ -0.0000519700000000, -0.0001725600000000, -0.0000910300000000 ] - [ 0.0044582100000000, -0.0004676800000000, -0.0056806000000000 ] - [ 0.0011329300000000, -0.0018891700000000, 0.0007359800000000 ] - [ 0.0001616000000000, -0.0000993900000000, -0.0001183500000000 ] - [ 0.0000538000000000, -0.0000786900000000, -0.0000594800000000 ] - [ -0.0000564000000000, -0.0002075500000000, -0.0000729300000000 ] - [ -0.0005851200000000, 0.0021372600000000, -0.0035072600000000 ] - [ 0.0003193600000000, -0.0011476300000000, -0.0008458400000000 ] - [ 0.0016676600000000, 0.0268822400000000, 0.0768751800000000 ] - [ 0.0001003700000000, 0.0001983200000000, -0.0003094500000000 ] - [ 0.0044389600000000, 0.0002321100000000, -0.0019793700000000 ] - [ 0.0000848100000000, 0.0002453200000000, -0.0000592400000000 ] - [ -0.0001075000000000, -0.0000155900000000, 0.0001723400000000 ] - [ -0.0003658800000000, -0.0000036900000000, -0.0000100300000000 ] - [ -0.0000896600000000, -0.0000544200000000, -0.0000945200000000 ] - [ 0.0006360000000000, 0.0003082700000000, 0.0006187800000000 ] - [ 0.0002123300000000, -0.0001320800000000, -0.0002951300000000 ] - [ 0.0000946600000000, -0.0001586500000000, 0.0001418100000000 ] - [ 0.0002452200000000, -0.0011144300000000, -0.0004682600000000 ] - [ -0.0001460100000000, -0.0001095100000000, -0.0000163000000000 ] - [ 0.0000674900000000, -0.0002403700000000, -0.0004052200000000 ] - [ -0.0000020200000000, 0.0002859500000000, 0.0000527600000000 ] - [ 0.0003997700000000, 0.0001942500000000, 0.0002188300000000 ] - [ -0.0002095000000000, -0.0002845400000000, 0.0003845900000000 ] - [ -0.0006692900000000, 0.0004290600000000, 0.0004163300000000 ] - [ -0.0011570300000000, -0.0004136200000000, -0.0016484100000000 ] - [ -0.0121428700000000, -0.0093536800000000, -0.0165149600000000 ] - [ -0.0001245800000000, -0.0002241100000000, 0.0003712200000000 ] - [ -0.0000635100000000, 0.0001018500000000, -0.0000838800000000 ] - [ 0.0013402200000000, 0.0007491800000000, 0.0015703700000000 ] - [ -0.0008250600000000, -0.0005930100000000, 0.0001249400000000 ] - [ 0.0001164000000000, -0.0000979600000000, -0.0001049100000000 ] - [ 0.0000749000000000, 0.0000774600000000, -0.0001484200000000 ] - [ 0.0000593000000000, -0.0000703000000000, 0.0004380800000000 ] - [ 0.0002710600000000, 0.0000246900000000, -0.0002515400000000 ] - [ 0.0001702000000000, 0.0001572400000000, -0.0000529400000000 ] - [ 0.0000791300000000, -0.0000512900000000, -0.0001580600000000 ] - [ -0.0001803100000000, 0.0000456200000000, 0.0004081400000000 ] - [ 0.0008502800000000, 0.0001308200000000, -0.0003007200000000 ] - [ -0.0000261900000000, -0.0001275600000000, 0.0002163100000000 ] - [ 0.0000447100000000, 0.0001355700000000, -0.0001546100000000 ] - [ 0.0002136400000000, -0.0000789700000000, 0.0009449100000000 ] - [ 0.0000494200000000, 0.0004712100000000, 0.0003534600000000 ] - [ 0.0061635000000000, -0.0169601400000000, -0.0490039300000000 ] - [ -0.0001322500000000, 0.0000169900000000, 0.0013049200000000 ] - [ 0.0002538500000000, 0.0007014100000000, 0.0002339600000000 ] - [ -0.0010171200000000, -0.0006733300000000, -0.0017474900000000 ] - [ 0.0001109400000000, 0.0002193100000000, 0.0001927000000000 ]- atom: 51 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ -0.0001519400000000, -0.0003493900000000, -0.0004426600000000 ] - [ -0.0000297300000000, 0.0007755200000000, 0.0003727300000000 ] - [ 0.0019458200000000, 0.0010117600000000, -0.0008576000000000 ] - [ -0.0001292500000000, -0.0000830400000000, 0.0000385600000000 ] - [ 0.0002558800000000, -0.0006122000000000, -0.0002134200000000 ] - [ 0.0000781800000000, 0.0002202000000000, 0.0000417300000000 ] - [ -0.0001542400000000, -0.0000451100000000, -0.0000188000000000 ] - [ -0.0001746100000000, 0.0000028300000000, -0.0001289600000000 ] - [ 0.0000249200000000, -0.0003168800000000, -0.0000695600000000 ] - [ -0.0000343900000000, 0.0004664400000000, -0.0000522300000000 ] - [ -0.0001521200000000, -0.0000492000000000, 0.0000316600000000 ] - [ -0.0004415800000000, -0.0004200600000000, 0.0001487300000000 ] - [ -0.0004544500000000, -0.0013770800000000, -0.0002695100000000 ] - [ -0.0002123600000000, 0.0001187000000000, 0.0000742400000000 ] - [ -0.0004363500000000, -0.0000904100000000, 0.0006434500000000 ] - [ -0.0001064100000000, 0.0001843800000000, 0.0001166700000000 ] - [ -0.0001027600000000, -0.0001882600000000, 0.0000498300000000 ] - [ 0.0000395000000000, 0.0006441500000000, -0.0010935800000000 ] - [ 0.0016366200000000, 0.0025093700000000, 0.0002095000000000 ] - [ 0.0000024800000000, 0.0000137700000000, 0.0002627300000000 ] - [ -0.0000813600000000, 0.0000466500000000, 0.0000706800000000 ] - [ -0.0001649400000000, 0.0001929700000000, -0.0000029600000000 ] - [ -0.0002106500000000, -0.0002466300000000, 0.0000345200000000 ] - [ 0.0009137000000000, -0.0004835100000000, -0.0006861600000000 ] - [ 0.0049410500000000, 0.0007598600000000, 0.0008639000000000 ] - [ -0.0000234000000000, 0.0000586200000000, -0.0001728300000000 ] - [ -0.0000811900000000, -0.0001556100000000, 0.0001041700000000 ] - [ -0.0000732400000000, 0.0000508700000000, -0.0001433200000000 ] - [ 0.0001475900000000, 0.0001519400000000, -0.0000176200000000 ] - [ 0.0000653300000000, -0.0000129200000000, -0.0002024100000000 ] - [ -0.0000047300000000, -0.0000662100000000, 0.0000470200000000 ] - [ 0.0001351200000000, 0.0002741900000000, -0.0002158500000000 ] - [ 0.0000176000000000, 0.0001316100000000, -0.0000809300000000 ] - [ 0.0001641600000000, 0.0000502600000000, -0.0000200800000000 ] - [ 0.0002950600000000, -0.0000930900000000, 0.0001996800000000 ] - [ 0.0000578100000000, -0.0001626800000000, 0.0000592900000000 ] - [ 0.0000579600000000, -0.0000026800000000, -0.0001495100000000 ] - [ 0.0002892900000000, -0.0001436500000000, -0.0003015900000000 ] - [ 0.0001873300000000, 0.0000624100000000, 0.0000381900000000 ] - [ 0.0000006500000000, 0.0000147400000000, -0.0000237000000000 ] - [ 0.0001175600000000, -0.0000208500000000, -0.0000399000000000 ] - [ 0.0000639300000000, 0.0000257800000000, -0.0001193500000000 ] - [ 0.0004090200000000, -0.0000724700000000, 0.0000587200000000 ] - [ 0.0003658100000000, 0.0001223900000000, 0.0000760400000000 ] - [ 0.0000690900000000, 0.0000257500000000, -0.0001462400000000 ] - [ 0.0001181100000000, 0.0000870700000000, -0.0001252000000000 ] - [ 0.0000957000000000, 0.0002088200000000, -0.0000973600000000 ] - [ 0.0019810800000000, 0.0016613500000000, 0.0009585100000000 ] - [ 0.0045324300000000, -0.0007848200000000, -0.0043886400000000 ] - [ 0.0002126300000000, 0.0000596700000000, 0.0000359800000000 ] - [ -0.0329817100000000, -0.0099315600000000, 0.0094689400000000 ] - [ 0.0000735900000000, 0.0000139400000000, 0.0001226800000000 ] - [ -0.0003125600000000, 0.0001807500000000, 0.0001334000000000 ] - [ -0.0004264300000000, 0.0000990400000000, -0.0001410800000000 ] - [ 0.0001391800000000, -0.0002603400000000, -0.0000127200000000 ] - [ 0.0002563100000000, -0.0000052600000000, 0.0001937700000000 ] - [ 0.0002751300000000, 0.0000906300000000, -0.0001218200000000 ] - [ 0.0001696300000000, 0.0000591200000000, -0.0000435400000000 ] - [ 0.0005251100000000, 0.0011774500000000, -0.0000518200000000 ] - [ -0.0000038200000000, -0.0001206200000000, 0.0000057200000000 ] - [ -0.0001363100000000, -0.0002782300000000, -0.0002358000000000 ] - [ -0.0000752700000000, 0.0000512900000000, -0.0000531800000000 ] - [ -0.0003929200000000, -0.0000655000000000, -0.0000753400000000 ] - [ -0.0001943200000000, 0.0001645800000000, 0.0000194200000000 ] - [ 0.0041069100000000, 0.0010145200000000, -0.0016004800000000 ] - [ -0.0003474700000000, -0.0002954700000000, -0.0001179500000000 ] - [ 0.0037720300000000, 0.0016197800000000, -0.0003168400000000 ] - [ 0.0000005600000000, 0.0004478800000000, -0.0002389400000000 ] - [ 0.0007991300000000, 0.0003997200000000, 0.0004334100000000 ] - [ 0.0009840200000000, -0.0001647500000000, -0.0005766400000000 ] - [ 0.0092892500000000, 0.0020649000000000, -0.0018607900000000 ] - [ 0.0002396400000000, 0.0000067400000000, -0.0000210400000000 ] - [ 0.0001462500000000, -0.0000216300000000, -0.0001062600000000 ] - [ 0.0007327300000000, -0.0001084700000000, 0.0005785500000000 ] - [ 0.0000777200000000, -0.0004330400000000, -0.0003272200000000 ] - [ 0.0001677200000000, -0.0001421500000000, -0.0000783400000000 ] - [ -0.0001614400000000, -0.0000197200000000, -0.0000051800000000 ] - [ -0.0005603700000000, 0.0007674600000000, 0.0001938600000000 ] - [ -0.0004883700000000, -0.0000630500000000, 0.0000875600000000 ] - [ -0.0000268700000000, -0.0000639500000000, 0.0001338600000000 ] - [ -0.0001260000000000, -0.0000718200000000, -0.0000282200000000 ] - [ 0.0002597100000000, 0.0002625700000000, -0.0002702000000000 ] - [ -0.0004305800000000, -0.0004692900000000, -0.0001267800000000 ] - [ -0.0002931400000000, 0.0003381500000000, 0.0007486000000000 ] - [ -0.0001477300000000, -0.0001765900000000, -0.0000829100000000 ] - [ -0.0004028200000000, -0.0001848200000000, -0.0001285700000000 ] - [ -0.0003581200000000, -0.0000819600000000, -0.0001241900000000 ] - [ -0.0001500700000000, 0.0000443700000000, 0.0001695400000000 ]- atom: 51 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0002889100000000, 0.0003353500000000, 0.0003194300000000 ] - [ 0.0001655800000000, -0.0007677900000000, -0.0005140100000000 ] - [ -0.0022249900000000, -0.0008490000000000, 0.0009345200000000 ] - [ -0.0001295200000000, -0.0000897700000000, 0.0000293700000000 ] - [ -0.0001372500000000, 0.0002810600000000, 0.0001864900000000 ] - [ 0.0000435700000000, 0.0001134900000000, -0.0000700800000000 ] - [ -0.0000235500000000, -0.0001240800000000, 0.0000319500000000 ] - [ -0.0000033600000000, 0.0001663600000000, 0.0001438300000000 ] - [ 0.0001159300000000, -0.0002578400000000, -0.0000513400000000 ] - [ 0.0001755400000000, 0.0001076900000000, -0.0000695800000000 ] - [ 0.0001997200000000, -0.0002242900000000, 0.0002403100000000 ] - [ 0.0004958600000000, 0.0006856100000000, 0.0000885900000000 ] - [ 0.0003443900000000, 0.0012039900000000, 0.0005705400000000 ] - [ 0.0001038900000000, 0.0000525700000000, 0.0002306200000000 ] - [ 0.0005106000000000, -0.0002682700000000, -0.0004741200000000 ] - [ 0.0001804100000000, 0.0001739200000000, 0.0000519000000000 ] - [ 0.0000749400000000, -0.0002176800000000, 0.0000840000000000 ] - [ -0.0000644100000000, -0.0002404600000000, 0.0012358600000000 ] - [ -0.0015221600000000, -0.0025422300000000, 0.0002819700000000 ] - [ 0.0001286100000000, -0.0000109600000000, 0.0002251900000000 ] - [ -0.0000904500000000, -0.0000231200000000, 0.0000738900000000 ] - [ -0.0000063900000000, -0.0002179600000000, 0.0001477800000000 ] - [ -0.0001879200000000, -0.0001577900000000, 0.0000018300000000 ] - [ -0.0013301300000000, 0.0008977500000000, 0.0007342400000000 ] - [ -0.0050861400000000, -0.0009372800000000, -0.0011606900000000 ] - [ -0.0000070200000000, 0.0001019900000000, -0.0000952500000000 ] - [ -0.0000840200000000, -0.0000705300000000, -0.0000421200000000 ] - [ -0.0000917000000000, 0.0001757100000000, 0.0002058500000000 ] - [ -0.0000162900000000, -0.0000582100000000, -0.0002947900000000 ] - [ 0.0000666600000000, -0.0000810300000000, -0.0001088600000000 ] - [ -0.0000549000000000, -0.0001074100000000, -0.0000104600000000 ] - [ -0.0001955900000000, -0.0001021400000000, 0.0002538000000000 ] - [ -0.0000222400000000, 0.0000828100000000, -0.0000396700000000 ] - [ -0.0001694100000000, -0.0002644700000000, -0.0001006400000000 ] - [ -0.0001979400000000, 0.0003603500000000, -0.0000708000000000 ] - [ 0.0000399100000000, -0.0001042600000000, 0.0000707200000000 ] - [ -0.0001272000000000, -0.0000047600000000, -0.0000769700000000 ] - [ -0.0003593100000000, 0.0001511000000000, 0.0000754000000000 ] - [ -0.0003219800000000, -0.0001215200000000, -0.0000988000000000 ] - [ -0.0001369500000000, 0.0000444300000000, -0.0000388800000000 ] - [ -0.0001934200000000, -0.0000532500000000, 0.0000093800000000 ] - [ -0.0001419200000000, 0.0000479600000000, 0.0000892600000000 ] - [ 0.0000969300000000, 0.0000021000000000, -0.0000549600000000 ] - [ 0.0001392600000000, -0.0000521700000000, -0.0000728100000000 ] - [ -0.0000670400000000, 0.0000725200000000, -0.0000067400000000 ] - [ -0.0001156900000000, -0.0001851000000000, -0.0000288200000000 ] - [ -0.0000119500000000, 0.0002038400000000, -0.0000284000000000 ] - [ -0.0018598300000000, -0.0020362600000000, -0.0010617900000000 ] - [ -0.0041533200000000, 0.0005620600000000, 0.0042172200000000 ] - [ 0.0000703400000000, 0.0001473400000000, -0.0001120200000000 ] - [ 0.0338568500000000, 0.0101288300000000, -0.0094642500000000 ] - [ 0.0002442300000000, 0.0000094700000000, 0.0000399500000000 ] - [ 0.0000370400000000, -0.0002541600000000, 0.0000913600000000 ] - [ 0.0001515700000000, -0.0000285800000000, 0.0003684800000000 ] - [ -0.0002505500000000, 0.0001589700000000, 0.0000224600000000 ] - [ -0.0003678300000000, 0.0001089300000000, -0.0001866500000000 ] - [ -0.0001390600000000, -0.0001550900000000, 0.0001036100000000 ] - [ -0.0000328000000000, 0.0000057800000000, 0.0000241000000000 ] - [ -0.0006272600000000, -0.0008615000000000, 0.0002794500000000 ] - [ -0.0001020500000000, -0.0001861900000000, 0.0002278300000000 ] - [ 0.0003078500000000, -0.0000322300000000, 0.0000239300000000 ] - [ 0.0002467100000000, 0.0002596400000000, -0.0001601200000000 ] - [ 0.0003542900000000, -0.0001335200000000, -0.0000706800000000 ] - [ 0.0001545000000000, 0.0000362500000000, -0.0001661300000000 ] - [ -0.0044235700000000, -0.0007414000000000, 0.0012420000000000 ] - [ 0.0000118500000000, 0.0000741900000000, -0.0002657300000000 ] - [ -0.0039502800000000, -0.0014848100000000, 0.0002455900000000 ] - [ -0.0001903700000000, -0.0006002000000000, 0.0002077900000000 ] - [ -0.0007293900000000, -0.0002502800000000, -0.0005519700000000 ] - [ -0.0009178600000000, 0.0000169700000000, 0.0004457200000000 ] - [ -0.0097874100000000, -0.0022379700000000, 0.0020173700000000 ] - [ -0.0002149200000000, -0.0000416500000000, -0.0000493900000000 ] - [ 0.0000491900000000, -0.0000108200000000, 0.0001366800000000 ] - [ -0.0005464700000000, 0.0001364800000000, -0.0005491700000000 ] - [ 0.0002419300000000, 0.0004880400000000, 0.0001396200000000 ] - [ 0.0001530000000000, 0.0000829000000000, -0.0001126900000000 ] - [ -0.0000288600000000, -0.0002340200000000, 0.0001089800000000 ] - [ 0.0003692000000000, -0.0005171400000000, -0.0000894600000000 ] - [ 0.0004921700000000, 0.0002219700000000, -0.0000289500000000 ] - [ 0.0000412400000000, -0.0000950700000000, -0.0000683800000000 ] - [ 0.0002859800000000, -0.0000284500000000, -0.0000759700000000 ] - [ -0.0001070100000000, -0.0001675000000000, 0.0001714900000000 ] - [ 0.0002347200000000, 0.0005259900000000, 0.0001792600000000 ] - [ 0.0001024000000000, -0.0003942100000000, -0.0006946000000000 ] - [ 0.0000800800000000, -0.0000184400000000, 0.0001602000000000 ] - [ 0.0003376000000000, 0.0003807700000000, 0.0002083600000000 ] - [ 0.0003820500000000, 0.0000450100000000, 0.0002665100000000 ] - [ 0.0001742400000000, -0.0000073700000000, -0.0000279700000000 ]- atom: 51 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004249000000000, 0.0001137700000000, 0.0011184200000000 ] - [ 0.0007743800000000, 0.0019729100000000, 0.0008098600000000 ] - [ 0.0006063800000000, -0.0000644200000000, -0.0004034900000000 ] - [ -0.0001320200000000, -0.0000870100000000, 0.0000438900000000 ] - [ -0.0008041900000000, 0.0011728100000000, 0.0012498300000000 ] - [ 0.0000976100000000, 0.0003674100000000, 0.0001846400000000 ] - [ -0.0001670800000000, 0.0000828100000000, -0.0001909600000000 ] - [ -0.0000775900000000, 0.0001790300000000, 0.0001700300000000 ] - [ 0.0000820600000000, -0.0001365300000000, -0.0000424700000000 ] - [ -0.0000030700000000, 0.0006447700000000, 0.0000148700000000 ] - [ 0.0003943700000000, -0.0005092800000000, -0.0012161800000000 ] - [ 0.0000310300000000, 0.0020878500000000, 0.0030646300000000 ] - [ -0.0008320800000000, 0.0034443800000000, 0.0006022600000000 ] - [ -0.0000285500000000, 0.0000175100000000, 0.0001995300000000 ] - [ 0.0001417800000000, 0.0002325900000000, 0.0008697400000000 ] - [ -0.0001066500000000, 0.0002361100000000, 0.0001615200000000 ] - [ -0.0001093500000000, -0.0001967400000000, 0.0000145500000000 ] - [ 0.0003044400000000, 0.0004699900000000, -0.0006033300000000 ] - [ 0.0041289100000000, 0.0040068000000000, -0.0003618200000000 ] - [ 0.0000344100000000, 0.0000248800000000, 0.0002533900000000 ] - [ -0.0000575800000000, 0.0001028300000000, 0.0000656300000000 ] - [ -0.0001136500000000, 0.0001384200000000, 0.0000369800000000 ] - [ -0.0001767600000000, -0.0002990700000000, 0.0000301400000000 ] - [ -0.0010636500000000, -0.0003685300000000, 0.0002515100000000 ] - [ 0.0004503900000000, -0.0002371000000000, -0.0000311400000000 ] - [ -0.0000198600000000, 0.0000821300000000, -0.0001115000000000 ] - [ -0.0000997500000000, -0.0001309700000000, -0.0000133900000000 ] - [ -0.0000812300000000, 0.0000737100000000, -0.0000252500000000 ] - [ 0.0001024100000000, 0.0001259900000000, -0.0001340000000000 ] - [ 0.0000819100000000, -0.0000169500000000, -0.0001373700000000 ] - [ -0.0000331300000000, -0.0000649700000000, -0.0000048100000000 ] - [ 0.0000455400000000, 0.0001810800000000, -0.0000316900000000 ] - [ -0.0000146400000000, 0.0001932600000000, -0.0000853400000000 ] - [ 0.0001184200000000, 0.0000262800000000, -0.0000651700000000 ] - [ 0.0001880100000000, -0.0000534700000000, 0.0001231800000000 ] - [ 0.0000234300000000, -0.0002041600000000, 0.0000714000000000 ] - [ 0.0000436600000000, -0.0000072700000000, -0.0001617200000000 ] - [ 0.0001003700000000, -0.0001149200000000, -0.0002115400000000 ] - [ 0.0000170600000000, 0.0000238400000000, -0.0000109200000000 ] - [ -0.0000192300000000, 0.0000348300000000, -0.0000076400000000 ] - [ 0.0001082000000000, -0.0000642000000000, -0.0001052300000000 ] - [ -0.0000658000000000, 0.0000374000000000, 0.0000439700000000 ] - [ 0.0001744800000000, 0.0000427700000000, -0.0000382100000000 ] - [ 0.0004479400000000, 0.0002091200000000, 0.0001717600000000 ] - [ -0.0000945400000000, 0.0001961800000000, 0.0000037500000000 ] - [ 0.0002033000000000, 0.0002576700000000, -0.0002022600000000 ] - [ 0.0000122100000000, 0.0000449700000000, -0.0000523400000000 ] - [ 0.0014858600000000, 0.0001595800000000, 0.0004032700000000 ] - [ -0.0001415000000000, -0.0005867200000000, -0.0002761300000000 ] - [ 0.0002736100000000, -0.0000539500000000, 0.0001976800000000 ] - [ -0.0099251300000000, -0.0291620600000000, -0.0063073900000000 ] - [ 0.0001540700000000, -0.0002032800000000, 0.0002982300000000 ] - [ -0.0003396000000000, 0.0002501700000000, 0.0000695600000000 ] - [ -0.0000857900000000, 0.0001346400000000, 0.0000645600000000 ] - [ 0.0001709600000000, -0.0003328700000000, 0.0000560300000000 ] - [ -0.0000775000000000, -0.0000546600000000, 0.0000302600000000 ] - [ 0.0002042700000000, 0.0001715300000000, 0.0000863800000000 ] - [ 0.0001012800000000, 0.0002546900000000, -0.0002116500000000 ] - [ 0.0008049500000000, 0.0014052000000000, -0.0005388900000000 ] - [ -0.0001035500000000, -0.0001551300000000, 0.0002040300000000 ] - [ -0.0000181400000000, -0.0003561100000000, -0.0000613400000000 ] - [ 0.0000255600000000, -0.0000180200000000, -0.0001978300000000 ] - [ -0.0002604800000000, 0.0001512100000000, 0.0000927400000000 ] - [ -0.0000655100000000, 0.0003128000000000, -0.0001410400000000 ] - [ 0.0011192500000000, 0.0069678300000000, 0.0005379700000000 ] - [ -0.0005322000000000, 0.0006154000000000, 0.0000063400000000 ] - [ 0.0011501400000000, 0.0033060900000000, -0.0005177200000000 ] - [ 0.0000060400000000, -0.0002824100000000, -0.0006252800000000 ] - [ 0.0002273900000000, -0.0004991700000000, -0.0001098600000000 ] - [ 0.0000560200000000, -0.0004852200000000, -0.0004630300000000 ] - [ 0.0014371100000000, 0.0047104800000000, 0.0011619000000000 ] - [ 0.0001498200000000, 0.0000372400000000, -0.0000209700000000 ] - [ 0.0001824900000000, -0.0001038900000000, 0.0001233800000000 ] - [ 0.0003397900000000, -0.0004090800000000, -0.0000212300000000 ] - [ -0.0008443000000000, -0.0003743800000000, 0.0003018700000000 ] - [ 0.0001424900000000, -0.0002796200000000, -0.0001159800000000 ] - [ -0.0001258400000000, 0.0001174300000000, 0.0000849600000000 ] - [ 0.0004907000000000, 0.0011600600000000, -0.0000006100000000 ] - [ -0.0000331700000000, -0.0001697300000000, -0.0001910200000000 ] - [ -0.0000031500000000, -0.0000704200000000, -0.0000472900000000 ] - [ -0.0000388300000000, -0.0001065900000000, -0.0000286400000000 ] - [ 0.0002706800000000, -0.0000976100000000, -0.0001149900000000 ] - [ -0.0005297900000000, 0.0004720000000000, -0.0000906500000000 ] - [ 0.0000468800000000, 0.0000755900000000, 0.0004306500000000 ] - [ -0.0001446400000000, -0.0001857200000000, 0.0001478200000000 ] - [ -0.0001665400000000, -0.0002036200000000, 0.0005498300000000 ] - [ 0.0002409800000000, -0.0004880500000000, -0.0003427500000000 ] - [ 0.0001679000000000, 0.0001078700000000, 0.0002691500000000 ]- atom: 51 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005661200000000, -0.0001257100000000, -0.0012504500000000 ] - [ -0.0006243700000000, -0.0019327800000000, -0.0009375500000000 ] - [ -0.0008492800000000, 0.0002465000000000, 0.0004690300000000 ] - [ -0.0001258900000000, -0.0000852800000000, 0.0000254100000000 ] - [ 0.0009402000000000, -0.0015359700000000, -0.0013028300000000 ] - [ 0.0000238600000000, -0.0000283000000000, -0.0002115800000000 ] - [ -0.0000121300000000, -0.0002494700000000, 0.0002018800000000 ] - [ -0.0001008500000000, -0.0000116900000000, -0.0001573400000000 ] - [ 0.0000562300000000, -0.0004392300000000, -0.0000784200000000 ] - [ 0.0001417100000000, -0.0000686600000000, -0.0001355900000000 ] - [ -0.0003507600000000, 0.0002376400000000, 0.0014742300000000 ] - [ 0.0000200800000000, -0.0017940400000000, -0.0027779900000000 ] - [ 0.0007058500000000, -0.0035412400000000, -0.0002911600000000 ] - [ -0.0000811000000000, 0.0001546400000000, 0.0001026000000000 ] - [ -0.0000687100000000, -0.0005948800000000, -0.0007025400000000 ] - [ 0.0001785000000000, 0.0001231800000000, 0.0000098500000000 ] - [ 0.0000841400000000, -0.0002094200000000, 0.0001230200000000 ] - [ -0.0003277300000000, -0.0000605300000000, 0.0007386500000000 ] - [ -0.0040837400000000, -0.0041044700000000, 0.0008563200000000 ] - [ 0.0000975500000000, -0.0000195000000000, 0.0002319400000000 ] - [ -0.0001116300000000, -0.0000768700000000, 0.0000800600000000 ] - [ -0.0000562000000000, -0.0001622600000000, 0.0001084100000000 ] - [ -0.0002192700000000, -0.0001065300000000, 0.0000072200000000 ] - [ 0.0006673200000000, 0.0007757400000000, -0.0002131300000000 ] - [ -0.0004551600000000, 0.0000834800000000, -0.0002376700000000 ] - [ -0.0000097800000000, 0.0000771900000000, -0.0001575200000000 ] - [ -0.0000649900000000, -0.0000988000000000, 0.0000772500000000 ] - [ -0.0000831600000000, 0.0001552900000000, 0.0000884800000000 ] - [ 0.0000268100000000, -0.0000366400000000, -0.0001779700000000 ] - [ 0.0000479000000000, -0.0000723000000000, -0.0001745000000000 ] - [ -0.0000288700000000, -0.0001046100000000, 0.0000419100000000 ] - [ -0.0001069400000000, -0.0000108700000000, 0.0000674300000000 ] - [ 0.0000056500000000, 0.0000236200000000, -0.0000383100000000 ] - [ -0.0001264800000000, -0.0002387800000000, -0.0000568800000000 ] - [ -0.0000916000000000, 0.0003191100000000, 0.0000048000000000 ] - [ 0.0000713100000000, -0.0000637600000000, 0.0000565100000000 ] - [ -0.0001127500000000, -0.0000014500000000, -0.0000624600000000 ] - [ -0.0001686300000000, 0.0001224100000000, -0.0000129000000000 ] - [ -0.0001520400000000, -0.0000852600000000, -0.0000553300000000 ] - [ -0.0001170800000000, 0.0000271600000000, -0.0000598600000000 ] - [ -0.0001836800000000, -0.0000124600000000, 0.0000701600000000 ] - [ -0.0000107700000000, 0.0000391600000000, -0.0000777700000000 ] - [ 0.0003313100000000, -0.0001138400000000, 0.0000440500000000 ] - [ 0.0000593900000000, -0.0001362100000000, -0.0001647500000000 ] - [ 0.0000998200000000, -0.0000971100000000, -0.0001594800000000 ] - [ -0.0001961400000000, -0.0003532300000000, 0.0000453500000000 ] - [ 0.0000765500000000, 0.0003698300000000, -0.0000757900000000 ] - [ -0.0013825900000000, -0.0005767800000000, -0.0005283300000000 ] - [ 0.0004134600000000, 0.0003824300000000, 0.0002121500000000 ] - [ 0.0000125900000000, 0.0002565300000000, -0.0002711400000000 ] - [ 0.0101314300000000, 0.0286569800000000, 0.0063064900000000 ] - [ 0.0001607800000000, 0.0002248300000000, -0.0001351600000000 ] - [ 0.0000630200000000, -0.0003175200000000, 0.0001536100000000 ] - [ -0.0001887700000000, -0.0000648000000000, 0.0001575700000000 ] - [ -0.0002819000000000, 0.0002263500000000, -0.0000431900000000 ] - [ -0.0000356000000000, 0.0001594100000000, -0.0000176900000000 ] - [ -0.0000632600000000, -0.0002363500000000, -0.0001027900000000 ] - [ 0.0000385200000000, -0.0001864100000000, 0.0001930600000000 ] - [ -0.0008925700000000, -0.0010772900000000, 0.0007582200000000 ] - [ 0.0000000000000000, -0.0001496900000000, 0.0000310300000000 ] - [ 0.0001860400000000, 0.0000430300000000, -0.0001520300000000 ] - [ 0.0001429000000000, 0.0003279400000000, -0.0000165200000000 ] - [ 0.0002196200000000, -0.0003498000000000, -0.0002365500000000 ] - [ 0.0000259700000000, -0.0001094500000000, -0.0000048800000000 ] - [ -0.0012809300000000, -0.0062732000000000, -0.0007604300000000 ] - [ 0.0001963800000000, -0.0008308500000000, -0.0003943300000000 ] - [ -0.0013234900000000, -0.0031947700000000, 0.0004105900000000 ] - [ -0.0001951500000000, 0.0001249500000000, 0.0005968700000000 ] - [ -0.0001620000000000, 0.0006473800000000, -0.0000137500000000 ] - [ 0.0000088000000000, 0.0003423900000000, 0.0003403800000000 ] - [ -0.0014657200000000, -0.0046955700000000, -0.0012079000000000 ] - [ -0.0001201000000000, -0.0000726100000000, -0.0000492300000000 ] - [ 0.0000155700000000, 0.0000740900000000, -0.0000917500000000 ] - [ -0.0001417600000000, 0.0004398300000000, 0.0000544800000000 ] - [ 0.0011686200000000, 0.0004184400000000, -0.0004997800000000 ] - [ 0.0001795000000000, 0.0002180800000000, -0.0000769400000000 ] - [ -0.0000654800000000, -0.0003715900000000, 0.0000193500000000 ] - [ -0.0006935300000000, -0.0009018300000000, 0.0001077800000000 ] - [ 0.0000404700000000, 0.0003322300000000, 0.0002571100000000 ] - [ 0.0000165100000000, -0.0000909700000000, 0.0001090500000000 ] - [ 0.0001951500000000, 0.0000084100000000, -0.0000723900000000 ] - [ -0.0001144500000000, 0.0001965700000000, 0.0000138600000000 ] - [ 0.0003280400000000, -0.0004003000000000, 0.0001470200000000 ] - [ -0.0002481900000000, -0.0001373800000000, -0.0003805200000000 ] - [ 0.0000800000000000, -0.0000083900000000, -0.0000719300000000 ] - [ 0.0001038800000000, 0.0004019000000000, -0.0004660200000000 ] - [ -0.0002154100000000, 0.0004453700000000, 0.0004923300000000 ] - [ -0.0001369100000000, -0.0000644300000000, -0.0001224800000000 ]- atom: 51 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ -0.0005670100000000, 0.0008872600000000, 0.0017226000000000 ] - [ 0.0004115000000000, 0.0006768000000000, -0.0001876700000000 ] - [ -0.0012301700000000, -0.0005097400000000, 0.0000380400000000 ] - [ -0.0001333000000000, -0.0000905900000000, 0.0000367900000000 ] - [ -0.0003536200000000, 0.0007967400000000, 0.0000005300000000 ] - [ 0.0001061000000000, 0.0002798700000000, 0.0001144300000000 ] - [ -0.0001236400000000, -0.0000013400000000, -0.0001458100000000 ] - [ 0.0000020600000000, 0.0002412300000000, 0.0003371200000000 ] - [ 0.0001330800000000, -0.0001394200000000, -0.0000504400000000 ] - [ 0.0000464400000000, 0.0004072400000000, -0.0000155700000000 ] - [ -0.0007135800000000, -0.0010579900000000, 0.0051273200000000 ] - [ 0.0005892400000000, 0.0044022300000000, 0.0041324500000000 ] - [ -0.0001652900000000, 0.0001559700000000, 0.0000660500000000 ] - [ 0.0001126900000000, 0.0000098400000000, 0.0003132300000000 ] - [ 0.0007546600000000, 0.0003415100000000, 0.0007912500000000 ] - [ 0.0000337800000000, 0.0002163400000000, 0.0001358700000000 ] - [ 0.0000096800000000, -0.0002149000000000, 0.0000488300000000 ] - [ -0.0015648800000000, -0.0007929800000000, 0.0016412900000000 ] - [ 0.0005784300000000, -0.0001015000000000, -0.0001965000000000 ] - [ 0.0000907700000000, 0.0000055300000000, 0.0002450000000000 ] - [ -0.0000661600000000, 0.0000530400000000, 0.0000645100000000 ] - [ -0.0000650000000000, -0.0000750600000000, 0.0001153500000000 ] - [ -0.0001529100000000, -0.0002760300000000, 0.0000202200000000 ] - [ -0.0012662800000000, 0.0002456300000000, 0.0005575500000000 ] - [ 0.0018068600000000, 0.0004491500000000, -0.0004721500000000 ] - [ -0.0000123200000000, 0.0001061200000000, -0.0000636600000000 ] - [ -0.0000918000000000, -0.0001012700000000, -0.0000502600000000 ] - [ -0.0001119300000000, 0.0001216600000000, 0.0001804300000000 ] - [ 0.0000493100000000, 0.0000049400000000, -0.0002814900000000 ] - [ 0.0000823800000000, -0.0000539300000000, -0.0000929100000000 ] - [ -0.0000480300000000, -0.0001013700000000, -0.0000405300000000 ] - [ -0.0001127800000000, 0.0000082200000000, 0.0001465200000000 ] - [ -0.0000298300000000, 0.0001606900000000, -0.0000623400000000 ] - [ -0.0000413600000000, -0.0001560900000000, -0.0000732200000000 ] - [ -0.0000066300000000, 0.0001742200000000, -0.0000199900000000 ] - [ 0.0000331900000000, -0.0001570400000000, 0.0000877500000000 ] - [ -0.0000414500000000, 0.0000008600000000, -0.0001270900000000 ] - [ -0.0001799800000000, 0.0000442600000000, 0.0000020300000000 ] - [ -0.0002111300000000, -0.0000583900000000, -0.0001357100000000 ] - [ -0.0000894900000000, 0.0000486400000000, -0.0000121100000000 ] - [ -0.0000122400000000, -0.0000402400000000, -0.0000680400000000 ] - [ -0.0001472900000000, 0.0000091700000000, 0.0001485100000000 ] - [ 0.0000419200000000, 0.0000637200000000, -0.0001169900000000 ] - [ 0.0002763300000000, 0.0001066100000000, 0.0000756800000000 ] - [ -0.0001540100000000, 0.0002194300000000, 0.0000705900000000 ] - [ 0.0000731900000000, 0.0000707200000000, -0.0001372100000000 ] - [ -0.0000349000000000, 0.0000459500000000, 0.0000201600000000 ] - [ 0.0008037300000000, 0.0001830500000000, 0.0001126600000000 ] - [ -0.0028416200000000, 0.0000413000000000, 0.0020186700000000 ] - [ 0.0001893500000000, 0.0000264800000000, 0.0001031300000000 ] - [ 0.0095835200000000, -0.0062687800000000, -0.0284439500000000 ] - [ 0.0002001100000000, -0.0002037700000000, 0.0003493900000000 ] - [ -0.0001391700000000, -0.0000880900000000, 0.0000195600000000 ] - [ 0.0000965700000000, 0.0000619800000000, 0.0002840100000000 ] - [ -0.0000448100000000, -0.0000256900000000, 0.0000845600000000 ] - [ -0.0002509100000000, 0.0000402700000000, -0.0001462100000000 ] - [ -0.0000411500000000, 0.0000595500000000, 0.0001648300000000 ] - [ 0.0000089500000000, 0.0002093700000000, -0.0002466900000000 ] - [ -0.0004102500000000, -0.0007839700000000, -0.0000198700000000 ] - [ -0.0002189000000000, -0.0001896000000000, 0.0002374400000000 ] - [ 0.0001828000000000, -0.0001864100000000, 0.0000898800000000 ] - [ 0.0001749400000000, 0.0001058800000000, -0.0002533300000000 ] - [ 0.0000696200000000, 0.0000478900000000, 0.0001158600000000 ] - [ 0.0000786600000000, 0.0002037000000000, -0.0002502000000000 ] - [ -0.0016598700000000, 0.0001602800000000, 0.0040224500000000 ] - [ 0.0001391000000000, -0.0000664200000000, -0.0008581400000000 ] - [ -0.0010720800000000, -0.0002531000000000, 0.0047515600000000 ] - [ -0.0006206100000000, -0.0009832000000000, -0.0003978800000000 ] - [ 0.0002394900000000, 0.0000354300000000, -0.0002817500000000 ] - [ -0.0007483800000000, -0.0002137200000000, -0.0004473200000000 ] - [ -0.0019349300000000, 0.0009381600000000, 0.0042900800000000 ] - [ -0.0000784700000000, 0.0000403300000000, -0.0000880400000000 ] - [ 0.0000908000000000, -0.0000348000000000, 0.0002352300000000 ] - [ 0.0006399500000000, 0.0002005400000000, -0.0004029700000000 ] - [ -0.0004378100000000, 0.0001781600000000, 0.0000206500000000 ] - [ 0.0001391600000000, -0.0001487100000000, -0.0001311200000000 ] - [ -0.0001265600000000, -0.0000186300000000, 0.0001003400000000 ] - [ 0.0003443700000000, 0.0003049200000000, -0.0003557100000000 ] - [ -0.0003414300000000, -0.0004062600000000, 0.0007495600000000 ] - [ 0.0000286900000000, -0.0001020800000000, -0.0001505600000000 ] - [ 0.0001684500000000, -0.0000817000000000, -0.0000479400000000 ] - [ -0.0000332600000000, -0.0000414900000000, -0.0002190500000000 ] - [ 0.0000146000000000, 0.0002190500000000, -0.0003336100000000 ] - [ 0.0002219700000000, 0.0001377300000000, -0.0001506000000000 ] - [ -0.0002359800000000, 0.0002179900000000, 0.0001476200000000 ] - [ 0.0000188600000000, 0.0005299000000000, 0.0008948700000000 ] - [ 0.0001841200000000, -0.0004590000000000, 0.0006330700000000 ] - [ 0.0001137700000000, 0.0001877300000000, -0.0000909100000000 ]- atom: 51 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0007157500000000, -0.0009152700000000, -0.0018773200000000 ] - [ -0.0002742600000000, -0.0006714600000000, 0.0000427400000000 ] - [ 0.0009812900000000, 0.0006842000000000, 0.0000238000000000 ] - [ -0.0001249700000000, -0.0000814900000000, 0.0000324000000000 ] - [ 0.0004772500000000, -0.0011428500000000, -0.0000231900000000 ] - [ 0.0000161000000000, 0.0000574700000000, -0.0001431000000000 ] - [ -0.0000543300000000, -0.0001674500000000, 0.0001595100000000 ] - [ -0.0001808400000000, -0.0000745700000000, -0.0003274100000000 ] - [ 0.0000045000000000, -0.0004383900000000, -0.0000699600000000 ] - [ 0.0000920300000000, 0.0001668600000000, -0.0001058100000000 ] - [ 0.0007741200000000, 0.0008110000000000, -0.0049985200000000 ] - [ -0.0005341400000000, -0.0040409500000000, -0.0037996600000000 ] - [ 0.0000572800000000, -0.0003464400000000, 0.0002336000000000 ] - [ -0.0002234300000000, 0.0001636700000000, -0.0000121400000000 ] - [ -0.0006914700000000, -0.0007071000000000, -0.0006287400000000 ] - [ 0.0000389800000000, 0.0001428700000000, 0.0000352400000000 ] - [ -0.0000342500000000, -0.0001913500000000, 0.0000888800000000 ] - [ 0.0015081500000000, 0.0011802500000000, -0.0014753900000000 ] - [ -0.0004392200000000, 0.0001058700000000, 0.0006844600000000 ] - [ 0.0000416500000000, -0.0000007400000000, 0.0002403400000000 ] - [ -0.0001038800000000, -0.0000276100000000, 0.0000813900000000 ] - [ -0.0001052100000000, 0.0000497800000000, 0.0000306600000000 ] - [ -0.0002441200000000, -0.0001290700000000, 0.0000166900000000 ] - [ 0.0008624400000000, 0.0001613500000000, -0.0005168400000000 ] - [ -0.0018360000000000, -0.0006031200000000, 0.0002028300000000 ] - [ -0.0000179200000000, 0.0000531400000000, -0.0002060600000000 ] - [ -0.0000732400000000, -0.0001280900000000, 0.0001151000000000 ] - [ -0.0000537000000000, 0.0001077200000000, -0.0001169100000000 ] - [ 0.0000796300000000, 0.0000849000000000, -0.0000306000000000 ] - [ 0.0000468400000000, -0.0000360800000000, -0.0002199200000000 ] - [ -0.0000138400000000, -0.0000687000000000, 0.0000780500000000 ] - [ 0.0000504600000000, 0.0001623900000000, -0.0001112500000000 ] - [ 0.0000209100000000, 0.0000554100000000, -0.0000609000000000 ] - [ 0.0000319800000000, -0.0000599300000000, -0.0000492700000000 ] - [ 0.0001020800000000, 0.0000928500000000, 0.0001489400000000 ] - [ 0.0000620400000000, -0.0001097800000000, 0.0000403900000000 ] - [ -0.0000283800000000, -0.0000090500000000, -0.0000969000000000 ] - [ 0.0001111000000000, -0.0000364200000000, -0.0002265600000000 ] - [ 0.0000745400000000, -0.0000030600000000, 0.0000702100000000 ] - [ -0.0000474600000000, 0.0000128500000000, -0.0000555200000000 ] - [ -0.0000641300000000, -0.0000357800000000, 0.0000351200000000 ] - [ 0.0000704800000000, 0.0000674800000000, -0.0001824700000000 ] - [ 0.0004651200000000, -0.0001348300000000, 0.0001232200000000 ] - [ 0.0002287100000000, -0.0000364400000000, -0.0000710100000000 ] - [ 0.0001610000000000, -0.0001227400000000, -0.0002272500000000 ] - [ -0.0000681900000000, -0.0001696100000000, -0.0000179000000000 ] - [ 0.0001238100000000, 0.0003712300000000, -0.0001485400000000 ] - [ -0.0007174300000000, -0.0006020200000000, -0.0002451400000000 ] - [ 0.0031677900000000, -0.0002523900000000, -0.0021181700000000 ] - [ 0.0000956100000000, 0.0001779800000000, -0.0001792500000000 ] - [ -0.0093849900000000, 0.0063419400000000, 0.0290395900000000 ] - [ 0.0001154500000000, 0.0002290800000000, -0.0001895400000000 ] - [ -0.0001344800000000, 0.0000182900000000, 0.0002045900000000 ] - [ -0.0003741600000000, 0.0000066300000000, -0.0000615800000000 ] - [ -0.0000687300000000, -0.0000790000000000, -0.0000736200000000 ] - [ 0.0001397600000000, 0.0000656000000000, 0.0001581700000000 ] - [ 0.0001805300000000, -0.0001270700000000, -0.0001830800000000 ] - [ 0.0001307100000000, -0.0001450600000000, 0.0002316700000000 ] - [ 0.0003106400000000, 0.0010967600000000, 0.0002488700000000 ] - [ 0.0001152900000000, -0.0001161300000000, -0.0000039400000000 ] - [ -0.0000144200000000, -0.0001246200000000, -0.0003036800000000 ] - [ -0.0000065700000000, 0.0002058700000000, 0.0000411800000000 ] - [ -0.0001087600000000, -0.0002489200000000, -0.0002627400000000 ] - [ -0.0001183200000000, -0.0000024800000000, 0.0001066300000000 ] - [ 0.0013375600000000, 0.0001011100000000, -0.0043806100000000 ] - [ -0.0004788700000000, -0.0001412700000000, 0.0004739900000000 ] - [ 0.0010145600000000, 0.0002449900000000, -0.0051639800000000 ] - [ 0.0004235400000000, 0.0008212600000000, 0.0003809900000000 ] - [ -0.0001680600000000, 0.0001127500000000, 0.0001557800000000 ] - [ 0.0008229400000000, 0.0000667100000000, 0.0003219000000000 ] - [ 0.0018965100000000, -0.0009287600000000, -0.0043359700000000 ] - [ 0.0001086600000000, -0.0000773700000000, 0.0000181900000000 ] - [ 0.0001058400000000, 0.0000069700000000, -0.0002037200000000 ] - [ -0.0004349400000000, -0.0001732800000000, 0.0004418000000000 ] - [ 0.0007531800000000, -0.0001185800000000, -0.0002155800000000 ] - [ 0.0001800800000000, 0.0000885600000000, -0.0000632800000000 ] - [ -0.0000677500000000, -0.0002395100000000, 0.0000029300000000 ] - [ -0.0005410900000000, -0.0000455800000000, 0.0004574200000000 ] - [ 0.0003444600000000, 0.0005624100000000, -0.0006858600000000 ] - [ -0.0000153000000000, -0.0000588500000000, 0.0002152400000000 ] - [ -0.0000115800000000, -0.0000163800000000, -0.0000547200000000 ] - [ 0.0001909600000000, 0.0001390200000000, 0.0001142300000000 ] - [ -0.0002169400000000, -0.0001541400000000, 0.0003841000000000 ] - [ -0.0004233800000000, -0.0002040800000000, 0.0002039700000000 ] - [ 0.0001786700000000, -0.0004188800000000, -0.0000759000000000 ] - [ -0.0000755600000000, -0.0003284000000000, -0.0008187400000000 ] - [ -0.0001529900000000, 0.0004223700000000, -0.0004985900000000 ] - [ -0.0000836900000000, -0.0001484700000000, 0.0002320200000000 ]- atom: 53 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000699800000000, -0.0000156600000000, -0.0000741200000000 ] - [ 0.0021821600000000, -0.0008977500000000, 0.0008648200000000 ] - [ -0.0002288600000000, -0.0009085500000000, -0.0005000600000000 ] - [ -0.0003901300000000, 0.0002591700000000, 0.0004648800000000 ] - [ 0.0000601300000000, -0.0001301500000000, -0.0000832800000000 ] - [ 0.0000726500000000, 0.0002244600000000, 0.0001537100000000 ] - [ 0.0049045000000000, -0.0008046300000000, -0.0009921200000000 ] - [ -0.0001011600000000, 0.0001045400000000, 0.0000472900000000 ] - [ 0.0000558000000000, -0.0002474600000000, -0.0000765900000000 ] - [ 0.0009311800000000, 0.0009690300000000, 0.0005121100000000 ] - [ 0.0000203300000000, -0.0001818700000000, 0.0001159200000000 ] - [ -0.0000479900000000, -0.0000475400000000, 0.0001847400000000 ] - [ 0.0020155200000000, -0.0032669600000000, 0.0002589400000000 ] - [ -0.0001250700000000, 0.0000749200000000, 0.0001281800000000 ] - [ -0.0000540400000000, -0.0001949100000000, 0.0001056900000000 ] - [ 0.0001232700000000, -0.0002592700000000, 0.0012794200000000 ] - [ -0.0005129700000000, -0.0003310100000000, -0.0005507900000000 ] - [ -0.0001478300000000, 0.0002037000000000, 0.0000418500000000 ] - [ -0.0002973300000000, 0.0016296000000000, 0.0007259500000000 ] - [ -0.0000910900000000, -0.0000281300000000, 0.0003238500000000 ] - [ -0.0002564200000000, -0.0000214900000000, 0.0003797500000000 ] - [ -0.0005156500000000, 0.0004168800000000, -0.0000342600000000 ] - [ -0.0002423200000000, -0.0001635500000000, 0.0000226500000000 ] - [ -0.0002991600000000, 0.0000365800000000, 0.0000105300000000 ] - [ -0.0000845700000000, -0.0001170200000000, -0.0000991000000000 ] - [ -0.0001008900000000, 0.0001648100000000, 0.0000170400000000 ] - [ 0.0001107600000000, 0.0003552800000000, 0.0002302900000000 ] - [ -0.0000669000000000, 0.0000712100000000, -0.0000193800000000 ] - [ 0.0005786200000000, -0.0009116600000000, -0.0001036700000000 ] - [ 0.0001219300000000, -0.0000632200000000, -0.0000819300000000 ] - [ 0.0046637300000000, 0.0006931800000000, 0.0046757800000000 ] - [ 0.0000335700000000, 0.0001295100000000, -0.0000547000000000 ] - [ 0.0000574200000000, 0.0000973800000000, -0.0000276900000000 ] - [ 0.0017849600000000, -0.0018551900000000, -0.0010947600000000 ] - [ 0.0001612700000000, 0.0000009100000000, 0.0000981000000000 ] - [ 0.0001234500000000, -0.0001043300000000, 0.0001338100000000 ] - [ 0.0001261500000000, 0.0000505900000000, -0.0001728300000000 ] - [ 0.0000680500000000, -0.0000785400000000, -0.0001810000000000 ] - [ 0.0000903000000000, -0.0000586100000000, -0.0000099200000000 ] - [ 0.0000285100000000, 0.0000439400000000, 0.0000657200000000 ] - [ 0.0002121500000000, -0.0001352900000000, -0.0000893000000000 ] - [ 0.0000332000000000, 0.0000539700000000, -0.0000254000000000 ] - [ 0.0003426700000000, -0.0000402900000000, 0.0000410400000000 ] - [ 0.0005867200000000, 0.0001787400000000, 0.0001998800000000 ] - [ 0.0000211000000000, 0.0000650500000000, -0.0000787700000000 ] - [ 0.0002504500000000, 0.0001615900000000, -0.0002035500000000 ] - [ 0.0000636800000000, 0.0001796900000000, -0.0000535900000000 ] - [ 0.0002023500000000, -0.0003548800000000, -0.0001018700000000 ] - [ 0.0001651400000000, -0.0001325600000000, -0.0000691900000000 ] - [ 0.0003137900000000, -0.0000819100000000, 0.0001915200000000 ] - [ -0.0000179000000000, -0.0002140700000000, 0.0000784200000000 ] - [ -0.0001329000000000, -0.0000400100000000, 0.0003176700000000 ] - [ -0.0341125000000000, 0.0104044300000000, -0.0095660800000000 ] - [ -0.0002244900000000, 0.0000288900000000, 0.0000684400000000 ] - [ 0.0001380400000000, -0.0001692400000000, 0.0001158400000000 ] - [ 0.0000303800000000, 0.0000635300000000, 0.0000384700000000 ] - [ 0.0002678000000000, 0.0001700300000000, 0.0000002000000000 ] - [ 0.0003817600000000, 0.0000602200000000, -0.0001754300000000 ] - [ 0.0000084700000000, 0.0000903000000000, -0.0000092800000000 ] - [ -0.0000553100000000, -0.0001519600000000, 0.0001505900000000 ] - [ -0.0003158900000000, -0.0001645600000000, -0.0001246300000000 ] - [ -0.0000934400000000, 0.0000987800000000, -0.0001962700000000 ] - [ -0.0002294500000000, 0.0000077400000000, 0.0000290000000000 ] - [ -0.0001789100000000, 0.0001903400000000, -0.0001155900000000 ] - [ -0.0003861000000000, 0.0005018200000000, 0.0000055600000000 ] - [ -0.0001512300000000, -0.0000133800000000, -0.0001911400000000 ] - [ -0.0000371200000000, 0.0000844900000000, 0.0000812700000000 ] - [ 0.0004744500000000, 0.0000857200000000, -0.0005382700000000 ] - [ 0.0094511700000000, -0.0020865500000000, 0.0017928900000000 ] - [ 0.0002715100000000, -0.0000986100000000, -0.0000743000000000 ] - [ 0.0008173900000000, -0.0002986900000000, -0.0005457600000000 ] - [ 0.0010063200000000, 0.0000466100000000, 0.0005090800000000 ] - [ 0.0042967300000000, -0.0014466100000000, 0.0007600400000000 ] - [ 0.0001869000000000, -0.0005387200000000, 0.0001892700000000 ] - [ 0.0045173000000000, -0.0013568100000000, 0.0010095400000000 ] - [ -0.0000901500000000, 0.0001557500000000, -0.0001816900000000 ] - [ -0.0004921500000000, -0.0000860100000000, 0.0002719100000000 ] - [ -0.0002362500000000, 0.0000521800000000, -0.0000202300000000 ] - [ -0.0003859000000000, 0.0004757500000000, 0.0001295600000000 ] - [ -0.0001253500000000, 0.0000059100000000, 0.0001785000000000 ] - [ -0.0000999000000000, -0.0004424600000000, -0.0008552800000000 ] - [ -0.0002604000000000, 0.0005581000000000, 0.0001215000000000 ] - [ 0.0001154800000000, -0.0001797400000000, 0.0002329800000000 ] - [ -0.0002976000000000, -0.0000013900000000, 0.0000156800000000 ] - [ -0.0000758700000000, -0.0001040500000000, -0.0000528100000000 ] - [ -0.0005210600000000, 0.0003490100000000, 0.0000234500000000 ] - [ -0.0000562700000000, -0.0001028300000000, 0.0001267400000000 ] - [ -0.0004006500000000, -0.0006661900000000, -0.0000954200000000 ]- atom: 53 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000703500000000, -0.0000040000000000, -0.0000621800000000 ] - [ -0.0020206500000000, 0.0009075500000000, -0.0009915400000000 ] - [ -0.0000220100000000, 0.0010692400000000, 0.0005663200000000 ] - [ 0.0001383800000000, -0.0004260100000000, -0.0003796200000000 ] - [ 0.0000615400000000, -0.0002075900000000, 0.0000574600000000 ] - [ 0.0000485000000000, 0.0001144400000000, -0.0001792600000000 ] - [ -0.0049694900000000, 0.0006247300000000, 0.0009787600000000 ] - [ -0.0000771700000000, 0.0000629200000000, -0.0000352800000000 ] - [ 0.0000821000000000, -0.0003293800000000, -0.0000438900000000 ] - [ -0.0007800200000000, -0.0003837200000000, -0.0006245000000000 ] - [ 0.0000295800000000, -0.0000890600000000, 0.0001323500000000 ] - [ 0.0000971000000000, 0.0003172200000000, 0.0000638100000000 ] - [ -0.0021018700000000, 0.0030568100000000, 0.0000485000000000 ] - [ 0.0000161500000000, 0.0000971700000000, 0.0001741100000000 ] - [ 0.0001257200000000, -0.0001640400000000, 0.0000662300000000 ] - [ -0.0000534400000000, 0.0006166800000000, -0.0010979300000000 ] - [ 0.0004871300000000, -0.0000756400000000, 0.0006879000000000 ] - [ 0.0001223200000000, 0.0002021300000000, 0.0000957000000000 ] - [ 0.0004295500000000, -0.0016357800000000, -0.0002448300000000 ] - [ 0.0002219700000000, 0.0000332800000000, 0.0001628400000000 ] - [ 0.0000913400000000, 0.0000455100000000, -0.0002088400000000 ] - [ 0.0003431100000000, -0.0004486400000000, 0.0001683200000000 ] - [ -0.0001544400000000, -0.0002411300000000, 0.0000146200000000 ] - [ -0.0000973200000000, 0.0003689000000000, 0.0000264400000000 ] - [ 0.0000545900000000, -0.0000422300000000, -0.0001712000000000 ] - [ 0.0000706300000000, -0.0000045500000000, -0.0002846000000000 ] - [ -0.0002725000000000, -0.0005812500000000, -0.0001648200000000 ] - [ -0.0000981800000000, 0.0001582600000000, 0.0000831400000000 ] - [ -0.0004527300000000, 0.0010078600000000, -0.0002091400000000 ] - [ 0.0000084100000000, -0.0000263700000000, -0.0002283700000000 ] - [ -0.0048314000000000, -0.0008793400000000, -0.0047434400000000 ] - [ -0.0000964900000000, 0.0000400800000000, 0.0000917300000000 ] - [ -0.0000657600000000, 0.0001187400000000, -0.0000956700000000 ] - [ -0.0018292800000000, 0.0016764300000000, 0.0009936700000000 ] - [ -0.0000658200000000, 0.0002652900000000, 0.0000301300000000 ] - [ -0.0000276200000000, -0.0001617300000000, -0.0000048000000000 ] - [ -0.0001948500000000, -0.0000583600000000, -0.0000514800000000 ] - [ -0.0001358300000000, 0.0000860300000000, -0.0000437400000000 ] - [ -0.0002266900000000, -0.0000026900000000, -0.0000563700000000 ] - [ -0.0001629400000000, 0.0000170300000000, -0.0001329500000000 ] - [ -0.0002896100000000, 0.0000594600000000, 0.0000564300000000 ] - [ -0.0001097400000000, 0.0000228000000000, -0.0000080400000000 ] - [ 0.0001630900000000, -0.0000304600000000, -0.0000351500000000 ] - [ -0.0000798100000000, -0.0001066500000000, -0.0001934700000000 ] - [ -0.0000151100000000, 0.0000327900000000, -0.0000770100000000 ] - [ -0.0002433200000000, -0.0002579600000000, 0.0000464900000000 ] - [ 0.0000252700000000, 0.0002356500000000, -0.0000746800000000 ] - [ -0.0001132000000000, -0.0000604100000000, -0.0000269300000000 ] - [ 0.0001202100000000, -0.0000718700000000, -0.0000068000000000 ] - [ -0.0000274400000000, 0.0002850100000000, -0.0002653500000000 ] - [ 0.0003331400000000, 0.0001892900000000, 0.0000819600000000 ] - [ 0.0004469700000000, 0.0000623800000000, -0.0001542600000000 ] - [ 0.0332871200000000, -0.0102752400000000, 0.0096434800000000 ] - [ -0.0000508500000000, 0.0000392200000000, 0.0001558600000000 ] - [ -0.0002492400000000, 0.0000646100000000, -0.0001032200000000 ] - [ -0.0001427000000000, 0.0000421100000000, -0.0000278100000000 ] - [ -0.0001280900000000, -0.0002341100000000, -0.0000166300000000 ] - [ -0.0002424800000000, 0.0000063600000000, 0.0001569000000000 ] - [ -0.0001125100000000, 0.0002152900000000, 0.0002423000000000 ] - [ -0.0000487300000000, -0.0001531700000000, 0.0000836000000000 ] - [ 0.0004827800000000, -0.0001465700000000, -0.0000884100000000 ] - [ 0.0002615700000000, 0.0002123600000000, -0.0000179400000000 ] - [ 0.0001891200000000, -0.0002074000000000, -0.0001734800000000 ] - [ 0.0001386600000000, 0.0000126500000000, -0.0000301700000000 ] - [ 0.0000454900000000, -0.0002902000000000, -0.0003832700000000 ] - [ -0.0001882200000000, -0.0002013000000000, -0.0001887100000000 ] - [ -0.0001527100000000, 0.0000752800000000, -0.0001130800000000 ] - [ -0.0006551300000000, -0.0002491000000000, 0.0005067800000000 ] - [ -0.0088584000000000, 0.0020345800000000, -0.0016955300000000 ] - [ -0.0001996300000000, -0.0000451900000000, -0.0000502800000000 ] - [ -0.0007867600000000, 0.0003420100000000, 0.0004832200000000 ] - [ -0.0009746100000000, -0.0000865200000000, -0.0005873700000000 ] - [ -0.0041078800000000, 0.0013963800000000, -0.0007688400000000 ] - [ 0.0000120000000000, 0.0005714100000000, -0.0001581700000000 ] - [ -0.0042140900000000, 0.0014750300000000, -0.0011789900000000 ] - [ 0.0004096700000000, -0.0002182600000000, -0.0000171000000000 ] - [ 0.0003011000000000, -0.0001715900000000, -0.0001680400000000 ] - [ 0.0000440900000000, 0.0002046300000000, 0.0001214700000000 ] - [ 0.0003974000000000, -0.0003130700000000, -0.0000659100000000 ] - [ 0.0001420500000000, -0.0001683900000000, -0.0001175100000000 ] - [ 0.0002446900000000, 0.0003501400000000, 0.0007548900000000 ] - [ 0.0004139900000000, -0.0004660000000000, -0.0002233300000000 ] - [ -0.0003119600000000, 0.0002408600000000, -0.0001753700000000 ] - [ 0.0000914500000000, -0.0000639500000000, 0.0000372900000000 ] - [ 0.0000121100000000, -0.0000906700000000, 0.0001311400000000 ] - [ 0.0004665400000000, -0.0001521900000000, 0.0000480300000000 ] - [ 0.0000831600000000, 0.0000670300000000, 0.0000150600000000 ] - [ 0.0004285800000000, 0.0006981600000000, 0.0002383700000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000732900000000, -0.0000083600000000, -0.0000591700000000 ] - [ -0.0005138800000000, -0.0002059700000000, -0.0004452300000000 ] - [ -0.0009392300000000, 0.0022425600000000, 0.0009766600000000 ] - [ 0.0003825500000000, 0.0000147100000000, 0.0012596900000000 ] - [ 0.0000791000000000, -0.0001860800000000, -0.0000570300000000 ] - [ 0.0000580200000000, 0.0001370200000000, -0.0000629700000000 ] - [ -0.0003565600000000, -0.0002407400000000, 0.0000938800000000 ] - [ -0.0000852700000000, 0.0000835100000000, 0.0000235300000000 ] - [ 0.0000497700000000, -0.0003854300000000, -0.0000481600000000 ] - [ 0.0007619900000000, -0.0002644100000000, 0.0000728200000000 ] - [ -0.0000006400000000, -0.0000490500000000, 0.0001244400000000 ] - [ 0.0000542200000000, 0.0002675800000000, 0.0000843400000000 ] - [ -0.0048056100000000, 0.0048706900000000, -0.0005103200000000 ] - [ -0.0000239100000000, 0.0001006900000000, 0.0001655800000000 ] - [ 0.0001284500000000, -0.0001755100000000, 0.0000294200000000 ] - [ -0.0002343400000000, 0.0004176200000000, -0.0005219700000000 ] - [ -0.0001422000000000, 0.0002322100000000, 0.0008521500000000 ] - [ 0.0001335500000000, 0.0002503300000000, 0.0001462800000000 ] - [ 0.0010848400000000, 0.0044449900000000, 0.0008788100000000 ] - [ 0.0000232600000000, -0.0000667100000000, 0.0002927400000000 ] - [ -0.0005024800000000, -0.0003828900000000, -0.0016053900000000 ] - [ -0.0002017100000000, 0.0020165800000000, 0.0031480100000000 ] - [ -0.0002141000000000, -0.0000498600000000, 0.0000374600000000 ] - [ -0.0001434700000000, 0.0005273800000000, 0.0000946200000000 ] - [ 0.0000768900000000, 0.0001049200000000, -0.0003297400000000 ] - [ -0.0000390800000000, 0.0001831000000000, 0.0000232100000000 ] - [ 0.0007900100000000, 0.0013140400000000, 0.0013585000000000 ] - [ -0.0001044400000000, 0.0002934800000000, 0.0002165200000000 ] - [ -0.0007131500000000, 0.0010095400000000, -0.0008715200000000 ] - [ 0.0001006400000000, -0.0001668200000000, 0.0000063000000000 ] - [ 0.0002115800000000, -0.0006268800000000, -0.0002497300000000 ] - [ -0.0001546800000000, -0.0000638300000000, 0.0002582000000000 ] - [ 0.0000323100000000, -0.0000367900000000, -0.0000410100000000 ] - [ -0.0013591800000000, 0.0001375100000000, 0.0003670800000000 ] - [ -0.0001644400000000, 0.0004707500000000, -0.0000761800000000 ] - [ 0.0001492100000000, 0.0000213900000000, 0.0001566100000000 ] - [ 0.0000374800000000, 0.0000705200000000, -0.0001530000000000 ] - [ -0.0002259400000000, 0.0001974300000000, 0.0000642600000000 ] - [ -0.0002327500000000, -0.0000516200000000, -0.0001214400000000 ] - [ -0.0000339900000000, 0.0000267500000000, 0.0000187300000000 ] - [ -0.0001133600000000, 0.0000117300000000, 0.0000057000000000 ] - [ -0.0000933900000000, 0.0000399000000000, 0.0000133500000000 ] - [ 0.0001944200000000, -0.0000427800000000, -0.0000399300000000 ] - [ 0.0001032600000000, -0.0000812600000000, -0.0001032700000000 ] - [ 0.0000276100000000, -0.0000186200000000, -0.0000667500000000 ] - [ -0.0001395800000000, -0.0002318600000000, -0.0000217800000000 ] - [ 0.0000566800000000, 0.0002909400000000, -0.0000778900000000 ] - [ -0.0000782000000000, -0.0000881700000000, -0.0000779000000000 ] - [ 0.0001455800000000, -0.0000767200000000, -0.0000586700000000 ] - [ 0.0000705200000000, 0.0001886000000000, -0.0000782000000000 ] - [ 0.0003761300000000, 0.0002729600000000, 0.0000277700000000 ] - [ 0.0000934500000000, 0.0001123400000000, 0.0000531000000000 ] - [ 0.0102661900000000, -0.0327812900000000, -0.0083761400000000 ] - [ -0.0001323400000000, -0.0001779600000000, 0.0003429500000000 ] - [ -0.0001725300000000, 0.0001706600000000, 0.0001302300000000 ] - [ -0.0000942900000000, 0.0002636600000000, -0.0002201200000000 ] - [ -0.0001719100000000, -0.0003175300000000, 0.0000498200000000 ] - [ 0.0001062600000000, -0.0000605700000000, -0.0000030000000000 ] - [ -0.0000646000000000, 0.0001945500000000, 0.0001301400000000 ] - [ -0.0000684000000000, -0.0001613200000000, 0.0001461200000000 ] - [ 0.0003495300000000, 0.0001001100000000, 0.0000981900000000 ] - [ 0.0001226000000000, 0.0003796400000000, -0.0002036100000000 ] - [ 0.0000856100000000, -0.0002959200000000, -0.0000025800000000 ] - [ 0.0000319500000000, -0.0000711500000000, -0.0001769000000000 ] - [ 0.0008147200000000, -0.0001955400000000, 0.0002233500000000 ] - [ -0.0001592900000000, -0.0003403300000000, -0.0002295000000000 ] - [ -0.0001837300000000, -0.0000017900000000, 0.0001077100000000 ] - [ -0.0003319400000000, -0.0004783900000000, -0.0001073900000000 ] - [ -0.0011873300000000, 0.0044319400000000, 0.0011506100000000 ] - [ -0.0001009000000000, -0.0000087500000000, -0.0000453400000000 ] - [ -0.0001096100000000, -0.0006085100000000, -0.0001735800000000 ] - [ 0.0000259000000000, -0.0004604300000000, -0.0004499700000000 ] - [ -0.0009756300000000, 0.0035765700000000, 0.0003314900000000 ] - [ -0.0000610500000000, -0.0001633300000000, -0.0004957700000000 ] - [ -0.0015738200000000, 0.0088359100000000, 0.0016918700000000 ] - [ 0.0006062500000000, 0.0007812500000000, 0.0001529700000000 ] - [ -0.0002975700000000, -0.0005725800000000, -0.0003656700000000 ] - [ -0.0003175900000000, 0.0002640500000000, 0.0002292700000000 ] - [ 0.0001773300000000, -0.0003480800000000, 0.0006994600000000 ] - [ 0.0000932200000000, -0.0002198000000000, 0.0001185100000000 ] - [ -0.0000764600000000, 0.0000415600000000, 0.0003884900000000 ] - [ 0.0005594800000000, 0.0005570600000000, -0.0001866300000000 ] - [ -0.0003003200000000, -0.0000948800000000, -0.0000336300000000 ] - [ 0.0000085600000000, -0.0000816200000000, 0.0000341100000000 ] - [ -0.0000158900000000, -0.0000854600000000, -0.0000501200000000 ] - [ -0.0000165900000000, -0.0001458900000000, -0.0002091000000000 ] - [ 0.0000365400000000, 0.0002118000000000, 0.0000961500000000 ] - [ -0.0005515500000000, 0.0010109500000000, 0.0000350800000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000654800000000, -0.0000121800000000, -0.0000764100000000 ] - [ 0.0006373500000000, 0.0002355000000000, 0.0003052500000000 ] - [ 0.0006725600000000, -0.0020495700000000, -0.0008967600000000 ] - [ -0.0006403400000000, -0.0001780000000000, -0.0011830900000000 ] - [ 0.0000428000000000, -0.0001555700000000, 0.0000324900000000 ] - [ 0.0000628200000000, 0.0002045700000000, 0.0000373700000000 ] - [ 0.0001538100000000, 0.0000774800000000, -0.0000803600000000 ] - [ -0.0000931100000000, 0.0000827600000000, -0.0000127300000000 ] - [ 0.0000860500000000, -0.0001926300000000, -0.0000722200000000 ] - [ -0.0006261200000000, 0.0008408300000000, -0.0001934800000000 ] - [ 0.0000488300000000, -0.0002192300000000, 0.0001246700000000 ] - [ -0.0000064200000000, 0.0000023800000000, 0.0001646500000000 ] - [ 0.0048024900000000, -0.0051551900000000, 0.0008223400000000 ] - [ -0.0000843500000000, 0.0000727000000000, 0.0001349000000000 ] - [ -0.0000556000000000, -0.0001834700000000, 0.0001443300000000 ] - [ 0.0003044500000000, -0.0000543600000000, 0.0006916300000000 ] - [ 0.0001200900000000, -0.0006417200000000, -0.0007160000000000 ] - [ -0.0001546400000000, 0.0001560700000000, -0.0000057200000000 ] - [ -0.0009269700000000, -0.0043546600000000, -0.0003842200000000 ] - [ 0.0001103000000000, 0.0000730100000000, 0.0001903300000000 ] - [ 0.0003406400000000, 0.0004078500000000, 0.0017563600000000 ] - [ 0.0000287900000000, -0.0020193200000000, -0.0029632000000000 ] - [ -0.0001796700000000, -0.0003550400000000, -0.0000009000000000 ] - [ -0.0002505500000000, -0.0001206500000000, -0.0000572300000000 ] - [ -0.0001043400000000, -0.0002614300000000, 0.0000575800000000 ] - [ 0.0000101300000000, -0.0000243100000000, -0.0002921100000000 ] - [ -0.0009703800000000, -0.0015739500000000, -0.0013224800000000 ] - [ -0.0000603300000000, -0.0000602000000000, -0.0001516900000000 ] - [ 0.0008276500000000, -0.0009084900000000, 0.0005484300000000 ] - [ 0.0000267800000000, 0.0000806400000000, -0.0003178100000000 ] - [ -0.0002623400000000, 0.0004587600000000, 0.0002962000000000 ] - [ 0.0000889700000000, 0.0002288500000000, -0.0002199600000000 ] - [ -0.0000446400000000, 0.0002530200000000, -0.0000848000000000 ] - [ 0.0013328600000000, -0.0003550000000000, -0.0004898500000000 ] - [ 0.0002560100000000, -0.0002028300000000, 0.0002017700000000 ] - [ -0.0000556600000000, -0.0002859900000000, -0.0000300100000000 ] - [ -0.0001072900000000, -0.0000793100000000, -0.0000688400000000 ] - [ 0.0001550200000000, -0.0001873800000000, -0.0002847800000000 ] - [ 0.0000957300000000, -0.0000129800000000, 0.0000494400000000 ] - [ -0.0001028100000000, 0.0000373800000000, -0.0000918900000000 ] - [ 0.0000339000000000, -0.0000883300000000, -0.0000434200000000 ] - [ 0.0000144600000000, 0.0000384300000000, -0.0000499700000000 ] - [ 0.0003083000000000, -0.0000282500000000, 0.0000460500000000 ] - [ 0.0003991200000000, 0.0001531400000000, 0.0001092500000000 ] - [ -0.0000186000000000, 0.0001171000000000, -0.0000908300000000 ] - [ 0.0001466200000000, 0.0001320900000000, -0.0001359500000000 ] - [ 0.0000369800000000, 0.0001274400000000, -0.0000532000000000 ] - [ 0.0001707700000000, -0.0003278800000000, -0.0000528600000000 ] - [ 0.0001415200000000, -0.0001246500000000, -0.0000179800000000 ] - [ 0.0002154200000000, 0.0000135000000000, 0.0000014200000000 ] - [ -0.0000588100000000, -0.0002925400000000, 0.0001316200000000 ] - [ 0.0002210700000000, -0.0000896000000000, 0.0001058900000000 ] - [ -0.0104184400000000, 0.0321865600000000, 0.0084090600000000 ] - [ -0.0001407400000000, 0.0002443400000000, -0.0001185500000000 ] - [ 0.0000567600000000, -0.0002749700000000, -0.0001169600000000 ] - [ -0.0000216100000000, -0.0001557400000000, 0.0002303100000000 ] - [ 0.0003104900000000, 0.0002482800000000, -0.0000644300000000 ] - [ 0.0000335600000000, 0.0001281700000000, -0.0000109800000000 ] - [ -0.0000379800000000, 0.0001092200000000, 0.0001051900000000 ] - [ -0.0000339000000000, -0.0001421900000000, 0.0000892700000000 ] - [ -0.0001796600000000, -0.0004113600000000, -0.0003108000000000 ] - [ 0.0000458100000000, -0.0000661000000000, -0.0000115500000000 ] - [ -0.0001221000000000, 0.0000937600000000, -0.0001422700000000 ] - [ -0.0000689500000000, 0.0002730300000000, 0.0000308600000000 ] - [ -0.0011666900000000, 0.0003996300000000, -0.0006084100000000 ] - [ -0.0001907600000000, 0.0001200400000000, -0.0001498200000000 ] - [ -0.0000121000000000, 0.0001599100000000, -0.0001400500000000 ] - [ 0.0001369500000000, 0.0003210600000000, 0.0000787500000000 ] - [ 0.0013064000000000, -0.0043042400000000, -0.0012538600000000 ] - [ 0.0001670100000000, -0.0001345100000000, -0.0000773000000000 ] - [ 0.0001493600000000, 0.0006502300000000, 0.0001037400000000 ] - [ 0.0000087800000000, 0.0004252700000000, 0.0003787500000000 ] - [ 0.0011538600000000, -0.0036471800000000, -0.0003775800000000 ] - [ 0.0002597400000000, 0.0001932000000000, 0.0005297100000000 ] - [ 0.0016980300000000, -0.0082607300000000, -0.0016906100000000 ] - [ -0.0002845000000000, -0.0008383500000000, -0.0003517400000000 ] - [ 0.0001096000000000, 0.0003090700000000, 0.0004790900000000 ] - [ 0.0001228600000000, -0.0000004400000000, -0.0001207100000000 ] - [ -0.0001658500000000, 0.0005113400000000, -0.0006314700000000 ] - [ -0.0000782300000000, 0.0000594600000000, -0.0000584800000000 ] - [ 0.0002368100000000, -0.0001384100000000, -0.0004901500000000 ] - [ -0.0003963300000000, -0.0004505100000000, 0.0000909000000000 ] - [ 0.0001035400000000, 0.0001612000000000, 0.0000919100000000 ] - [ -0.0002069400000000, 0.0000173000000000, 0.0000244900000000 ] - [ -0.0000527500000000, -0.0001131100000000, 0.0001269500000000 ] - [ -0.0000471000000000, 0.0003455100000000, 0.0002897400000000 ] - [ -0.0000143300000000, -0.0002457600000000, 0.0000447000000000 ] - [ 0.0005846100000000, -0.0009717800000000, 0.0001110600000000 ]- atom: 53 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000745700000000, -0.0000135700000000, -0.0000665600000000 ] - [ 0.0012258500000000, -0.0005808200000000, -0.0000262200000000 ] - [ -0.0005040800000000, 0.0007473200000000, -0.0001549200000000 ] - [ 0.0005678300000000, 0.0008311300000000, 0.0019971400000000 ] - [ 0.0000691600000000, -0.0001593400000000, -0.0000959900000000 ] - [ 0.0000910000000000, 0.0001760200000000, 0.0001365300000000 ] - [ -0.0018012700000000, 0.0003766500000000, -0.0003337200000000 ] - [ -0.0000971000000000, 0.0001066200000000, 0.0000750600000000 ] - [ 0.0000181300000000, -0.0003685500000000, -0.0000588700000000 ] - [ 0.0009227700000000, 0.0003208100000000, 0.0003863700000000 ] - [ -0.0000037800000000, -0.0001088200000000, 0.0001128500000000 ] - [ 0.0000072700000000, 0.0000803000000000, 0.0001510800000000 ] - [ -0.0005178500000000, -0.0001818000000000, -0.0003490700000000 ] - [ -0.0000877800000000, 0.0000844900000000, 0.0001510300000000 ] - [ 0.0000015600000000, -0.0001974900000000, 0.0000690800000000 ] - [ 0.0015600800000000, -0.0007914600000000, 0.0016849100000000 ] - [ -0.0007785000000000, 0.0003441400000000, 0.0008107800000000 ] - [ 0.0000081300000000, 0.0002308900000000, 0.0001207300000000 ] - [ 0.0001870800000000, 0.0002423000000000, 0.0000864300000000 ] - [ -0.0001164200000000, -0.0000735600000000, 0.0004037400000000 ] - [ 0.0007089600000000, -0.0009458500000000, 0.0051505800000000 ] - [ -0.0007134600000000, 0.0044889700000000, 0.0045902100000000 ] - [ -0.0002683000000000, -0.0000436300000000, 0.0000253700000000 ] - [ -0.0001658700000000, 0.0003250000000000, 0.0000650800000000 ] - [ 0.0000369200000000, 0.0000153400000000, -0.0002862000000000 ] - [ -0.0001231600000000, 0.0002424300000000, 0.0002026700000000 ] - [ 0.0003498900000000, 0.0009284600000000, 0.0000645000000000 ] - [ -0.0001248000000000, 0.0002342300000000, 0.0001576500000000 ] - [ 0.0002257200000000, -0.0007703300000000, -0.0006250700000000 ] - [ 0.0001867100000000, -0.0001145300000000, 0.0001076100000000 ] - [ 0.0031567100000000, 0.0001195000000000, 0.0022220000000000 ] - [ -0.0000895900000000, 0.0000131400000000, 0.0001839900000000 ] - [ 0.0000917800000000, -0.0000427200000000, 0.0000191200000000 ] - [ -0.0007137200000000, 0.0002274100000000, 0.0001074400000000 ] - [ -0.0000618100000000, 0.0002941000000000, -0.0000400000000000 ] - [ 0.0002352800000000, 0.0000879800000000, 0.0002350800000000 ] - [ 0.0001848500000000, 0.0001142200000000, -0.0002382800000000 ] - [ -0.0000722200000000, 0.0000932200000000, -0.0000243300000000 ] - [ -0.0001111200000000, -0.0000421900000000, -0.0000890400000000 ] - [ 0.0000444000000000, 0.0000091400000000, 0.0001162900000000 ] - [ 0.0001066900000000, -0.0000671200000000, -0.0001327500000000 ] - [ -0.0000202500000000, 0.0000562900000000, 0.0000041100000000 ] - [ 0.0002736100000000, -0.0000394300000000, -0.0000056900000000 ] - [ 0.0003896500000000, 0.0000691200000000, 0.0001194700000000 ] - [ 0.0000308700000000, 0.0000108600000000, -0.0000616800000000 ] - [ 0.0000469700000000, -0.0000269100000000, -0.0001581100000000 ] - [ 0.0000742200000000, 0.0002577300000000, -0.0000681900000000 ] - [ 0.0000759300000000, -0.0002513800000000, -0.0000819000000000 ] - [ 0.0001577400000000, -0.0001199700000000, -0.0000991200000000 ] - [ 0.0002268300000000, 0.0000244800000000, 0.0000856600000000 ] - [ 0.0001777400000000, -0.0000519100000000, -0.0000136600000000 ] - [ -0.0000963800000000, 0.0000557500000000, 0.0002508500000000 ] - [ -0.0096446700000000, -0.0083687400000000, -0.0307811800000000 ] - [ -0.0001794500000000, -0.0001962800000000, 0.0004087800000000 ] - [ 0.0000529200000000, 0.0000686800000000, 0.0002037500000000 ] - [ -0.0000178600000000, 0.0002887000000000, -0.0002668000000000 ] - [ 0.0000483100000000, -0.0000205200000000, 0.0000726000000000 ] - [ 0.0002851900000000, 0.0000100100000000, -0.0001568900000000 ] - [ -0.0000286900000000, 0.0001100200000000, -0.0000078600000000 ] - [ -0.0000716900000000, -0.0001573100000000, 0.0001757900000000 ] - [ -0.0000023300000000, 0.0000251600000000, 0.0001008500000000 ] - [ -0.0000269100000000, 0.0002870700000000, -0.0003155300000000 ] - [ -0.0000992200000000, -0.0001542400000000, 0.0001202900000000 ] - [ -0.0001152300000000, 0.0000333700000000, -0.0002265900000000 ] - [ 0.0003422300000000, 0.0002344900000000, -0.0000704600000000 ] - [ -0.0001466300000000, -0.0002340900000000, -0.0002266500000000 ] - [ -0.0000788500000000, 0.0000660200000000, 0.0002011200000000 ] - [ -0.0006184300000000, 0.0001334500000000, -0.0004177300000000 ] - [ 0.0018036900000000, 0.0009774000000000, 0.0040087200000000 ] - [ 0.0001353800000000, -0.0000077900000000, -0.0001163600000000 ] - [ -0.0002303800000000, -0.0000146800000000, -0.0002832300000000 ] - [ 0.0008408900000000, -0.0001955200000000, -0.0004346800000000 ] - [ 0.0016516400000000, 0.0005204200000000, 0.0065697700000000 ] - [ 0.0005468100000000, -0.0009445900000000, -0.0003633000000000 ] - [ 0.0014610300000000, 0.0008707900000000, 0.0043256000000000 ] - [ -0.0000971200000000, 0.0000011800000000, -0.0007072200000000 ] - [ -0.0002785400000000, -0.0006402900000000, 0.0006131900000000 ] - [ -0.0001940000000000, 0.0002733400000000, -0.0000815100000000 ] - [ -0.0000379100000000, 0.0005602100000000, 0.0009556600000000 ] - [ 0.0001876900000000, 0.0001360500000000, 0.0001730000000000 ] - [ -0.0002497500000000, 0.0001098100000000, -0.0002238200000000 ] - [ 0.0000108300000000, 0.0002785400000000, -0.0004308700000000 ] - [ 0.0000251500000000, -0.0000562900000000, -0.0001171100000000 ] - [ -0.0001799100000000, -0.0000483800000000, 0.0000345400000000 ] - [ -0.0000592000000000, -0.0001061000000000, -0.0001470900000000 ] - [ 0.0002784500000000, -0.0003193200000000, 0.0007506500000000 ] - [ 0.0000291500000000, 0.0001056400000000, 0.0001181300000000 ] - [ -0.0003899800000000, 0.0001570800000000, -0.0003415900000000 ]- atom: 53 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000639600000000, -0.0000068700000000, -0.0000690400000000 ] - [ -0.0010946700000000, 0.0006027100000000, -0.0001165200000000 ] - [ 0.0002507200000000, -0.0005911300000000, 0.0002160600000000 ] - [ -0.0008341200000000, -0.0010116500000000, -0.0019459200000000 ] - [ 0.0000526000000000, -0.0001817000000000, 0.0000720100000000 ] - [ 0.0000308800000000, 0.0001657400000000, -0.0001620900000000 ] - [ 0.0016217200000000, -0.0005377500000000, 0.0003464100000000 ] - [ -0.0000811300000000, 0.0000591400000000, -0.0000652700000000 ] - [ 0.0001183400000000, -0.0002086700000000, -0.0000615400000000 ] - [ -0.0007811100000000, 0.0002555700000000, -0.0005040400000000 ] - [ 0.0000523000000000, -0.0001606300000000, 0.0001360500000000 ] - [ 0.0000404300000000, 0.0001889800000000, 0.0000977500000000 ] - [ 0.0004017600000000, 0.0000223700000000, 0.0006526700000000 ] - [ -0.0000207200000000, 0.0000887400000000, 0.0001491500000000 ] - [ 0.0000705200000000, -0.0001617000000000, 0.0001051300000000 ] - [ -0.0014551900000000, 0.0011331400000000, -0.0014813200000000 ] - [ 0.0007662100000000, -0.0007582900000000, -0.0006807600000000 ] - [ -0.0000305800000000, 0.0001754000000000, 0.0000196900000000 ] - [ -0.0000546500000000, -0.0002718500000000, 0.0003927600000000 ] - [ 0.0002507100000000, 0.0000811500000000, 0.0000779700000000 ] - [ -0.0008904400000000, 0.0009985500000000, -0.0051222000000000 ] - [ 0.0005349800000000, -0.0044174300000000, -0.0043452700000000 ] - [ -0.0001249500000000, -0.0003628500000000, 0.0000118600000000 ] - [ -0.0002279100000000, 0.0000796200000000, -0.0000280800000000 ] - [ -0.0000657300000000, -0.0001742400000000, 0.0000164500000000 ] - [ 0.0000945600000000, -0.0000845400000000, -0.0004742500000000 ] - [ -0.0005172000000000, -0.0011705300000000, 0.0000031600000000 ] - [ -0.0000406900000000, -0.0000028500000000, -0.0000957900000000 ] - [ -0.0001007200000000, 0.0008572700000000, 0.0003110700000000 ] - [ -0.0000597500000000, 0.0000276400000000, -0.0004195300000000 ] - [ -0.0032641200000000, -0.0002938000000000, -0.0022113000000000 ] - [ 0.0000252000000000, 0.0001533600000000, -0.0001487200000000 ] - [ -0.0001045900000000, 0.0002612000000000, -0.0001458600000000 ] - [ 0.0007036000000000, -0.0004452900000000, -0.0002362300000000 ] - [ 0.0001554500000000, -0.0000298200000000, 0.0001670700000000 ] - [ -0.0001439000000000, -0.0003558400000000, -0.0001100800000000 ] - [ -0.0002556500000000, -0.0001236700000000, 0.0000169500000000 ] - [ 0.0000040500000000, -0.0000860000000000, -0.0001984500000000 ] - [ -0.0000246900000000, -0.0000224400000000, 0.0000190100000000 ] - [ -0.0001804400000000, 0.0000553600000000, -0.0001896400000000 ] - [ -0.0001846100000000, -0.0000100500000000, 0.0000956600000000 ] - [ -0.0000581600000000, 0.0000218000000000, -0.0000407200000000 ] - [ 0.0002292300000000, -0.0000312400000000, 0.0000117800000000 ] - [ 0.0001133700000000, 0.0000026300000000, -0.0001137100000000 ] - [ -0.0000219100000000, 0.0000882400000000, -0.0000963300000000 ] - [ -0.0000381300000000, -0.0000708000000000, 0.0000005800000000 ] - [ 0.0000193000000000, 0.0001594000000000, -0.0000630300000000 ] - [ 0.0000177900000000, -0.0001677500000000, -0.0000496500000000 ] - [ 0.0001292500000000, -0.0000819800000000, 0.0000223700000000 ] - [ 0.0000601300000000, 0.0001782700000000, -0.0001635400000000 ] - [ 0.0001354800000000, 0.0000299400000000, 0.0001733600000000 ] - [ 0.0004130400000000, -0.0000350600000000, -0.0000924700000000 ] - [ 0.0095252500000000, 0.0084173700000000, 0.0314903200000000 ] - [ -0.0000935500000000, 0.0002656900000000, -0.0001890000000000 ] - [ -0.0001677800000000, -0.0001768200000000, -0.0001917000000000 ] - [ -0.0000985900000000, -0.0001841600000000, 0.0002811900000000 ] - [ 0.0000939800000000, -0.0000477400000000, -0.0000882800000000 ] - [ -0.0001467300000000, 0.0000595200000000, 0.0001431300000000 ] - [ -0.0000738800000000, 0.0001940000000000, 0.0002438300000000 ] - [ -0.0000301600000000, -0.0001461700000000, 0.0000591600000000 ] - [ 0.0001697000000000, -0.0003389200000000, -0.0003172700000000 ] - [ 0.0001952600000000, 0.0000240500000000, 0.0001027500000000 ] - [ 0.0000623500000000, -0.0000459500000000, -0.0002662500000000 ] - [ 0.0000785300000000, 0.0001705800000000, 0.0000827700000000 ] - [ -0.0006897500000000, -0.0000171300000000, -0.0003111100000000 ] - [ -0.0002044800000000, 0.0000180600000000, -0.0001534100000000 ] - [ -0.0001175300000000, 0.0000928400000000, -0.0002341300000000 ] - [ 0.0004152700000000, -0.0002926300000000, 0.0003938800000000 ] - [ -0.0016678900000000, -0.0008600000000000, -0.0041075600000000 ] - [ -0.0000704900000000, -0.0001365100000000, -0.0000061700000000 ] - [ 0.0002646200000000, 0.0000555500000000, 0.0002133700000000 ] - [ -0.0008128000000000, 0.0001581200000000, 0.0003620800000000 ] - [ -0.0016042300000000, -0.0007434200000000, -0.0069811100000000 ] - [ -0.0003382100000000, 0.0009713700000000, 0.0004083800000000 ] - [ -0.0011497600000000, -0.0007683800000000, -0.0044955200000000 ] - [ 0.0004268300000000, -0.0000496500000000, 0.0005097200000000 ] - [ 0.0000882300000000, 0.0003826400000000, -0.0005145800000000 ] - [ 0.0000044700000000, -0.0000126000000000, 0.0001855700000000 ] - [ 0.0000456700000000, -0.0003873800000000, -0.0008973800000000 ] - [ -0.0001768900000000, -0.0003057800000000, -0.0001206000000000 ] - [ 0.0004043800000000, -0.0002090400000000, 0.0001268600000000 ] - [ 0.0001474700000000, -0.0001824000000000, 0.0003311100000000 ] - [ -0.0002215700000000, 0.0001205800000000, 0.0001736400000000 ] - [ -0.0000168500000000, -0.0000146400000000, 0.0000247200000000 ] - [ -0.0000093300000000, -0.0000930000000000, 0.0002247800000000 ] - [ -0.0003380800000000, 0.0005136300000000, -0.0006742300000000 ] - [ -0.0000069100000000, -0.0001442200000000, 0.0000234400000000 ] - [ 0.0004136500000000, -0.0001172300000000, 0.0004839600000000 ]- atom: 55 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000641400000000, -0.0000170300000000, -0.0000606200000000 ] - [ 0.0019254500000000, -0.0008271100000000, 0.0006895600000000 ] - [ 0.0000511400000000, -0.0010278300000000, -0.0005261200000000 ] - [ -0.0001862700000000, 0.0003483200000000, 0.0007554800000000 ] - [ 0.0000642500000000, -0.0001874500000000, 0.0000238000000000 ] - [ 0.0001078600000000, 0.0000777600000000, -0.0001188800000000 ] - [ 0.0000592700000000, -0.0002100700000000, 0.0001975100000000 ] - [ -0.0000512200000000, 0.0000932300000000, -0.0000273400000000 ] - [ 0.0000939600000000, -0.0003008800000000, -0.0000481300000000 ] - [ 0.0002248300000000, 0.0001597700000000, -0.0000523000000000 ] - [ 0.0000430600000000, -0.0000987300000000, 0.0001247300000000 ] - [ 0.0001763800000000, 0.0002891800000000, 0.0000665800000000 ] - [ 0.0002768500000000, -0.0000204700000000, 0.0002862400000000 ] - [ 0.0000555100000000, 0.0001041700000000, 0.0001730800000000 ] - [ 0.0001228200000000, -0.0001608400000000, 0.0000743500000000 ] - [ 0.0003650100000000, 0.0000733500000000, 0.0000963900000000 ] - [ 0.0001320400000000, -0.0001805700000000, 0.0002119100000000 ] - [ 0.0001306000000000, 0.0001902800000000, 0.0000846900000000 ] - [ 0.0002110200000000, -0.0000866800000000, 0.0001619700000000 ] - [ 0.0002050900000000, 0.0000351800000000, 0.0002145000000000 ] - [ -0.0000164000000000, 0.0000635700000000, 0.0001432300000000 ] - [ 0.0000003700000000, -0.0001562000000000, 0.0000953300000000 ] - [ -0.0001573700000000, -0.0002286600000000, 0.0000355400000000 ] - [ 0.0011398500000000, -0.0009794100000000, -0.0008041000000000 ] - [ 0.0000261500000000, -0.0000576600000000, -0.0002021500000000 ] - [ 0.0040665500000000, 0.0007334000000000, 0.0037837000000000 ] - [ -0.0000543000000000, -0.0001277200000000, 0.0001005800000000 ] - [ 0.0004029100000000, -0.0008490000000000, 0.0001620200000000 ] - [ 0.0000527300000000, -0.0000127500000000, -0.0001967700000000 ] - [ 0.0002181700000000, 0.0005056000000000, 0.0000358300000000 ] - [ -0.0001293600000000, 0.0000079300000000, 0.0001652000000000 ] - [ -0.0001321200000000, 0.0000300000000000, 0.0000554300000000 ] - [ -0.0000634100000000, 0.0001520200000000, -0.0000743100000000 ] - [ -0.0000942200000000, -0.0002028100000000, -0.0000774900000000 ] - [ -0.0004369200000000, 0.0003588500000000, -0.0001757600000000 ] - [ -0.0004091700000000, -0.0003814100000000, 0.0005258800000000 ] - [ -0.0002015200000000, -0.0000785500000000, 0.0000156300000000 ] - [ -0.0006087600000000, 0.0020063200000000, 0.0005599200000000 ] - [ -0.0001973200000000, -0.0000379100000000, -0.0000558300000000 ] - [ -0.0005482300000000, -0.0001779600000000, -0.0007848200000000 ] - [ -0.0001481100000000, -0.0003857200000000, 0.0009761800000000 ] - [ -0.0000945700000000, 0.0000626600000000, -0.0000383400000000 ] - [ 0.0001810500000000, -0.0000313400000000, -0.0000275300000000 ] - [ 0.0018276200000000, -0.0026154100000000, 0.0001012500000000 ] - [ -0.0000139200000000, 0.0000537100000000, -0.0000764700000000 ] - [ -0.0001092000000000, -0.0002335700000000, 0.0000143700000000 ] - [ 0.0000768500000000, 0.0002996200000000, -0.0001367800000000 ] - [ 0.0010835400000000, 0.0004327800000000, 0.0006941600000000 ] - [ 0.0001333900000000, -0.0000601800000000, -0.0000034400000000 ] - [ 0.0060974000000000, -0.0013146500000000, -0.0007195900000000 ] - [ 0.0003516000000000, 0.0002164400000000, 0.0000902100000000 ] - [ 0.0004685300000000, 0.0000299500000000, -0.0001159300000000 ] - [ 0.0000578800000000, -0.0001473900000000, 0.0002209500000000 ] - [ -0.0000491600000000, 0.0000691400000000, 0.0001511000000000 ] - [ -0.0274850700000000, 0.0057942900000000, -0.0058030300000000 ] - [ -0.0001575800000000, 0.0000338300000000, -0.0000244200000000 ] - [ -0.0000767400000000, -0.0002103600000000, -0.0000069000000000 ] - [ -0.0001660800000000, 0.0000295500000000, 0.0001673300000000 ] - [ -0.0000806500000000, 0.0002034400000000, 0.0002518100000000 ] - [ -0.0000190800000000, -0.0001024600000000, 0.0000194800000000 ] - [ 0.0002808300000000, -0.0000823900000000, -0.0001338300000000 ] - [ 0.0003147400000000, 0.0002275300000000, 0.0000437600000000 ] - [ 0.0002271700000000, -0.0002634700000000, -0.0002985200000000 ] - [ 0.0012005100000000, 0.0006796500000000, -0.0007633100000000 ] - [ -0.0007730900000000, -0.0004300200000000, -0.0003532000000000 ] - [ -0.0003068600000000, -0.0001950100000000, -0.0001198000000000 ] - [ -0.0001605500000000, 0.0000604900000000, -0.0000850700000000 ] - [ -0.0010275300000000, 0.0002921900000000, -0.0002968500000000 ] - [ -0.0000044600000000, -0.0000708200000000, 0.0001498700000000 ] - [ -0.0002128000000000, -0.0000630700000000, -0.0000881000000000 ] - [ -0.0005114700000000, 0.0004087700000000, 0.0001896800000000 ] - [ -0.0004503400000000, -0.0003237100000000, -0.0009737200000000 ] - [ -0.0000196100000000, 0.0000687800000000, 0.0001556400000000 ] - [ -0.0002759300000000, 0.0004106900000000, 0.0000660000000000 ] - [ 0.0000256100000000, -0.0000417700000000, -0.0001543800000000 ] - [ -0.0001966600000000, 0.0000039100000000, 0.0001441800000000 ] - [ -0.0003159900000000, 0.0000648700000000, 0.0001177100000000 ] - [ 0.0028352600000000, 0.0006870400000000, 0.0015378000000000 ] - [ 0.0000780000000000, -0.0002742100000000, 0.0001693400000000 ] - [ 0.0037791200000000, -0.0017495700000000, -0.0001630000000000 ] - [ 0.0009329600000000, -0.0000259500000000, 0.0002822400000000 ] - [ 0.0007992900000000, -0.0002585300000000, -0.0004519400000000 ] - [ 0.0046890600000000, -0.0004609700000000, -0.0004162500000000 ] - [ 0.0001194900000000, -0.0000911000000000, 0.0000652000000000 ] - [ 0.0000092100000000, -0.0001854600000000, 0.0001620000000000 ] - [ 0.0003405300000000, 0.0002510800000000, -0.0005146600000000 ] - [ 0.0000348600000000, 0.0000385600000000, 0.0000502900000000 ] - [ -0.0002184500000000, 0.0003769100000000, 0.0003100700000000 ]- atom: 55 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000743600000000, -0.0000035400000000, -0.0000748100000000 ] - [ -0.0018080300000000, 0.0008571400000000, -0.0008325100000000 ] - [ -0.0003152500000000, 0.0012039500000000, 0.0005961300000000 ] - [ -0.0000796100000000, -0.0005224600000000, -0.0006970300000000 ] - [ 0.0000576200000000, -0.0001542500000000, -0.0000481300000000 ] - [ 0.0000133500000000, 0.0002645200000000, 0.0000953400000000 ] - [ -0.0002380000000000, 0.0000445600000000, -0.0001871400000000 ] - [ -0.0001278100000000, 0.0000719400000000, 0.0000368900000000 ] - [ 0.0000419900000000, -0.0002771100000000, -0.0000718900000000 ] - [ -0.0000890200000000, 0.0004162500000000, -0.0000680700000000 ] - [ 0.0000038200000000, -0.0001687800000000, 0.0001255000000000 ] - [ -0.0001306000000000, -0.0000224200000000, 0.0001848500000000 ] - [ -0.0003870800000000, -0.0001523700000000, 0.0000136700000000 ] - [ -0.0001659000000000, 0.0000694300000000, 0.0001263100000000 ] - [ -0.0000515000000000, -0.0001988200000000, 0.0001002400000000 ] - [ -0.0002930700000000, 0.0002871500000000, 0.0000760100000000 ] - [ -0.0001556100000000, -0.0002256200000000, -0.0000711100000000 ] - [ -0.0001521000000000, 0.0002161800000000, 0.0000570500000000 ] - [ -0.0000777400000000, 0.0000794200000000, 0.0003208800000000 ] - [ -0.0000715100000000, -0.0000282800000000, 0.0002677000000000 ] - [ -0.0001512300000000, -0.0000370000000000, 0.0000032700000000 ] - [ -0.0001680600000000, 0.0001296100000000, 0.0000521300000000 ] - [ -0.0002372300000000, -0.0001773300000000, 0.0000017700000000 ] - [ -0.0015101500000000, 0.0013609800000000, 0.0008279100000000 ] - [ -0.0000548600000000, -0.0000993700000000, -0.0000694800000000 ] - [ -0.0040059600000000, -0.0005619500000000, -0.0039702800000000 ] - [ -0.0001107900000000, -0.0001056600000000, -0.0000369800000000 ] - [ -0.0005645600000000, 0.0010757400000000, -0.0000960100000000 ] - [ 0.0000734000000000, 0.0000975700000000, -0.0001162400000000 ] - [ -0.0000932500000000, -0.0005938400000000, -0.0003491400000000 ] - [ 0.0000650700000000, -0.0001744700000000, -0.0001286800000000 ] - [ 0.0000666100000000, 0.0001351100000000, -0.0000170000000000 ] - [ 0.0000503100000000, 0.0000655500000000, -0.0000520200000000 ] - [ 0.0000807200000000, -0.0000136500000000, -0.0000477800000000 ] - [ 0.0005285800000000, -0.0000822900000000, 0.0003135400000000 ] - [ 0.0004927300000000, 0.0001130400000000, -0.0004291100000000 ] - [ 0.0001315800000000, 0.0000686700000000, -0.0002379300000000 ] - [ 0.0005399300000000, -0.0019930400000000, -0.0007744700000000 ] - [ 0.0000612600000000, -0.0000258900000000, -0.0000146500000000 ] - [ 0.0004089700000000, 0.0002433700000000, 0.0007117600000000 ] - [ 0.0000767800000000, 0.0003088200000000, -0.0010190700000000 ] - [ 0.0000176500000000, 0.0000160700000000, 0.0000016200000000 ] - [ 0.0003239400000000, -0.0000401700000000, 0.0000347600000000 ] - [ -0.0013364000000000, 0.0027170500000000, -0.0000989900000000 ] - [ 0.0000239400000000, 0.0000437600000000, -0.0000816400000000 ] - [ 0.0001192200000000, 0.0001375300000000, -0.0001726800000000 ] - [ 0.0000178700000000, 0.0001188800000000, 0.0000057400000000 ] - [ -0.0010043100000000, -0.0008603700000000, -0.0008357900000000 ] - [ 0.0001549500000000, -0.0001408100000000, -0.0000718600000000 ] - [ -0.0059348800000000, 0.0015398700000000, 0.0006689700000000 ] - [ -0.0000383900000000, -0.0002389500000000, 0.0000687500000000 ] - [ -0.0001560500000000, -0.0000091100000000, 0.0002775900000000 ] - [ -0.0003309700000000, 0.0000809500000000, -0.0000003700000000 ] - [ -0.0002242600000000, -0.0000034900000000, 0.0000701700000000 ] - [ 0.0277660200000000, -0.0060243900000000, 0.0058520100000000 ] - [ 0.0000413000000000, 0.0000745500000000, 0.0000374600000000 ] - [ 0.0002191400000000, 0.0001430000000000, -0.0000065500000000 ] - [ 0.0003082300000000, 0.0000398200000000, -0.0001821500000000 ] - [ -0.0000211800000000, 0.0000997000000000, -0.0000162700000000 ] - [ -0.0000827600000000, -0.0002008900000000, 0.0002167600000000 ] - [ -0.0001141200000000, -0.0002309100000000, -0.0000799900000000 ] - [ -0.0001488200000000, 0.0000853500000000, -0.0002588900000000 ] - [ -0.0002651800000000, 0.0000633500000000, 0.0001556900000000 ] - [ -0.0012625800000000, -0.0005117600000000, 0.0006527300000000 ] - [ 0.0004309200000000, 0.0006443600000000, -0.0000306100000000 ] - [ -0.0000359200000000, -0.0000165100000000, -0.0002619100000000 ] - [ -0.0000342300000000, 0.0000992600000000, 0.0000570200000000 ] - [ 0.0008311900000000, -0.0004552800000000, 0.0002794800000000 ] - [ 0.0000676300000000, 0.0002176800000000, -0.0002800600000000 ] - [ 0.0002818000000000, -0.0000830800000000, -0.0000356700000000 ] - [ 0.0005513500000000, -0.0003646800000000, -0.0002579600000000 ] - [ 0.0004942600000000, 0.0002792200000000, 0.0009008900000000 ] - [ 0.0002174600000000, -0.0000951700000000, -0.0001177700000000 ] - [ 0.0004752300000000, -0.0003838000000000, -0.0000303500000000 ] - [ 0.0002942400000000, 0.0000982500000000, -0.0000404000000000 ] - [ 0.0005165600000000, -0.0000581500000000, -0.0003397300000000 ] - [ 0.0001239900000000, -0.0003215600000000, -0.0000063200000000 ] - [ -0.0029865600000000, -0.0004868100000000, -0.0014502400000000 ] - [ -0.0000698100000000, 0.0004327600000000, -0.0001095100000000 ] - [ -0.0037343300000000, 0.0016042100000000, 0.0002699000000000 ] - [ -0.0007771900000000, -0.0000657400000000, -0.0003737900000000 ] - [ -0.0006396200000000, 0.0003460800000000, 0.0003462100000000 ] - [ -0.0052489500000000, 0.0006655200000000, 0.0003233000000000 ] - [ -0.0003210300000000, 0.0000267300000000, -0.0000098700000000 ] - [ -0.0000709400000000, -0.0000111100000000, -0.0000865200000000 ] - [ -0.0004052900000000, -0.0000514100000000, 0.0005924100000000 ] - [ -0.0000082900000000, -0.0000774700000000, 0.0000927500000000 ] - [ 0.0002470300000000, -0.0003332200000000, -0.0001697400000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000636800000000, -0.0000173600000000, -0.0000634200000000 ] - [ -0.0006192300000000, -0.0001026200000000, -0.0004853600000000 ] - [ -0.0009993300000000, 0.0018630500000000, 0.0007684000000000 ] - [ 0.0005029800000000, -0.0000202400000000, 0.0010883900000000 ] - [ 0.0000488000000000, -0.0001476300000000, -0.0000001300000000 ] - [ 0.0000439900000000, 0.0001986300000000, 0.0000067400000000 ] - [ -0.0001570300000000, -0.0000157000000000, -0.0000377800000000 ] - [ -0.0000826300000000, 0.0001020400000000, -0.0000086600000000 ] - [ 0.0000801900000000, -0.0002046600000000, -0.0000747000000000 ] - [ -0.0000442300000000, 0.0004118700000000, -0.0000849900000000 ] - [ 0.0000515500000000, -0.0002107300000000, 0.0001109100000000 ] - [ -0.0000578600000000, -0.0000120900000000, 0.0001783400000000 ] - [ -0.0002191700000000, -0.0001375700000000, 0.0000784100000000 ] - [ -0.0000786700000000, 0.0000893700000000, 0.0001157300000000 ] - [ -0.0000108600000000, -0.0001800700000000, 0.0001111600000000 ] - [ -0.0000123400000000, 0.0002157600000000, 0.0000867200000000 ] - [ 0.0000580100000000, -0.0001954800000000, 0.0001243800000000 ] - [ -0.0001540200000000, 0.0002024500000000, 0.0000225900000000 ] - [ -0.0001666700000000, 0.0001431300000000, 0.0003821500000000 ] - [ 0.0001348600000000, 0.0000400000000000, 0.0002223000000000 ] - [ -0.0000177900000000, 0.0001547300000000, 0.0001529500000000 ] - [ -0.0002224300000000, 0.0003387900000000, -0.0000218700000000 ] - [ -0.0001877300000000, -0.0003507500000000, 0.0000129300000000 ] - [ -0.0011863200000000, 0.0000345700000000, 0.0004109000000000 ] - [ -0.0000830900000000, -0.0001536300000000, 0.0000390900000000 ] - [ 0.0002468600000000, -0.0003346800000000, -0.0004102700000000 ] - [ -0.0000882200000000, -0.0001899200000000, 0.0001266500000000 ] - [ -0.0007068800000000, 0.0010939600000000, -0.0006304900000000 ] - [ 0.0000952800000000, 0.0002098800000000, -0.0000451300000000 ] - [ 0.0007941900000000, 0.0012415000000000, 0.0010182500000000 ] - [ -0.0000681200000000, 0.0000266800000000, 0.0001446200000000 ] - [ 0.0000762200000000, 0.0003181400000000, -0.0001806200000000 ] - [ -0.0000301800000000, 0.0002660200000000, -0.0000441800000000 ] - [ 0.0000158500000000, 0.0001926500000000, 0.0000487800000000 ] - [ -0.0001100100000000, 0.0019461400000000, 0.0028222100000000 ] - [ -0.0007340200000000, -0.0007671000000000, -0.0021593500000000 ] - [ -0.0000573600000000, -0.0001128700000000, -0.0000742000000000 ] - [ 0.0005022600000000, 0.0056172400000000, 0.0012554700000000 ] - [ 0.0000516100000000, 0.0000648000000000, 0.0000914600000000 ] - [ -0.0001579300000000, 0.0006147500000000, 0.0010553500000000 ] - [ -0.0002631700000000, 0.0001621300000000, -0.0005596500000000 ] - [ 0.0000927000000000, 0.0001037500000000, -0.0001215300000000 ] - [ 0.0002781100000000, 0.0000003000000000, 0.0000116800000000 ] - [ -0.0036934900000000, 0.0042616800000000, -0.0006380900000000 ] - [ -0.0000379500000000, 0.0001555500000000, -0.0000802700000000 ] - [ 0.0000607700000000, 0.0001078300000000, -0.0001312600000000 ] - [ 0.0000719200000000, 0.0001582700000000, -0.0000992000000000 ] - [ 0.0007609100000000, -0.0007401000000000, 0.0001015000000000 ] - [ 0.0001454000000000, -0.0001195600000000, -0.0000347500000000 ] - [ -0.0003394600000000, -0.0003141900000000, 0.0002180200000000 ] - [ -0.0000515100000000, -0.0002882000000000, 0.0001049300000000 ] - [ 0.0002147000000000, -0.0000973300000000, 0.0000908300000000 ] - [ -0.0002517400000000, 0.0001891400000000, 0.0002336000000000 ] - [ -0.0001458700000000, 0.0002423900000000, -0.0001249500000000 ] - [ 0.0058334600000000, -0.0283869600000000, -0.0067032100000000 ] - [ -0.0000380900000000, -0.0000869100000000, 0.0001879700000000 ] - [ 0.0002521700000000, 0.0002964400000000, -0.0000493500000000 ] - [ 0.0000386000000000, 0.0001221500000000, -0.0000169300000000 ] - [ -0.0000403000000000, 0.0001239500000000, 0.0000882900000000 ] - [ 0.0000131900000000, -0.0000930500000000, 0.0000321000000000 ] - [ -0.0000291000000000, -0.0003779800000000, -0.0002037900000000 ] - [ 0.0001017600000000, -0.0002576300000000, -0.0001157400000000 ] - [ -0.0001736100000000, 0.0001278500000000, -0.0001567300000000 ] - [ 0.0005886600000000, 0.0013036400000000, -0.0006292300000000 ] - [ -0.0004713600000000, 0.0010208300000000, -0.0001905000000000 ] - [ -0.0002157900000000, 0.0001256900000000, -0.0001049100000000 ] - [ -0.0000655800000000, 0.0001121500000000, -0.0000897700000000 ] - [ -0.0001378300000000, -0.0003007300000000, -0.0002162300000000 ] - [ -0.0001033600000000, -0.0000655700000000, -0.0001388100000000 ] - [ 0.0001275800000000, -0.0001379900000000, -0.0000575500000000 ] - [ 0.0006517100000000, 0.0005648000000000, -0.0002449500000000 ] - [ -0.0001865700000000, 0.0001074000000000, 0.0004104700000000 ] - [ 0.0001591800000000, -0.0001695700000000, 0.0000674300000000 ] - [ 0.0002363700000000, -0.0005666800000000, 0.0006706400000000 ] - [ -0.0000236900000000, -0.0000412200000000, 0.0000426000000000 ] - [ -0.0000162900000000, -0.0005726100000000, -0.0005126700000000 ] - [ 0.0003455000000000, 0.0006385300000000, 0.0004125600000000 ] - [ 0.0005258000000000, 0.0052349000000000, 0.0007445300000000 ] - [ -0.0002133700000000, -0.0001249600000000, -0.0003052400000000 ] - [ -0.0015162700000000, 0.0035968200000000, 0.0002450000000000 ] - [ -0.0000200100000000, -0.0003812500000000, -0.0004070800000000 ] - [ 0.0003705900000000, -0.0007300800000000, -0.0003816300000000 ] - [ 0.0003085900000000, 0.0039614600000000, 0.0018242000000000 ] - [ -0.0002182200000000, -0.0000080700000000, 0.0001152200000000 ] - [ -0.0001022400000000, -0.0002351600000000, 0.0001205600000000 ] - [ -0.0002192000000000, -0.0002762500000000, 0.0000055800000000 ] - [ 0.0000304000000000, -0.0002377000000000, 0.0000594700000000 ] - [ 0.0008517800000000, -0.0003409600000000, 0.0003731100000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000750400000000, -0.0000030700000000, -0.0000722500000000 ] - [ 0.0007714600000000, 0.0001151500000000, 0.0003527500000000 ] - [ 0.0007503300000000, -0.0017129100000000, -0.0007073800000000 ] - [ -0.0007618600000000, -0.0001579100000000, -0.0010243700000000 ] - [ 0.0000733900000000, -0.0001938500000000, -0.0000241500000000 ] - [ 0.0000780000000000, 0.0001428200000000, -0.0000317000000000 ] - [ -0.0000200600000000, -0.0001507200000000, 0.0000500600000000 ] - [ -0.0000960500000000, 0.0000632500000000, 0.0000179800000000 ] - [ 0.0000561200000000, -0.0003734600000000, -0.0000456200000000 ] - [ 0.0001811600000000, 0.0001625800000000, -0.0000367300000000 ] - [ -0.0000040400000000, -0.0000567600000000, 0.0001388000000000 ] - [ 0.0001055400000000, 0.0002804600000000, 0.0000722200000000 ] - [ 0.0001117100000000, -0.0000343600000000, 0.0002223500000000 ] - [ -0.0000305700000000, 0.0000840600000000, 0.0001841000000000 ] - [ 0.0000832900000000, -0.0001792500000000, 0.0000627100000000 ] - [ 0.0000867000000000, 0.0001436100000000, 0.0000873300000000 ] - [ -0.0000788300000000, -0.0002112600000000, 0.0000164800000000 ] - [ 0.0001330300000000, 0.0002044600000000, 0.0001191600000000 ] - [ 0.0003024400000000, -0.0001511500000000, 0.0000993600000000 ] - [ -0.0000008900000000, -0.0000330600000000, 0.0002597200000000 ] - [ -0.0001501900000000, -0.0001286600000000, -0.0000061900000000 ] - [ 0.0000546100000000, -0.0003667600000000, 0.0001689100000000 ] - [ -0.0002062600000000, -0.0000552600000000, 0.0000238500000000 ] - [ 0.0007974100000000, 0.0003794100000000, -0.0003738600000000 ] - [ 0.0000545000000000, -0.0000032500000000, -0.0003117200000000 ] - [ -0.0002871100000000, 0.0004936400000000, 0.0001313700000000 ] - [ -0.0000764100000000, -0.0000425500000000, -0.0000605800000000 ] - [ 0.0005501000000000, -0.0008739700000000, 0.0007045800000000 ] - [ 0.0000308400000000, -0.0001251300000000, -0.0002667800000000 ] - [ -0.0006536500000000, -0.0013045100000000, -0.0013058800000000 ] - [ 0.0000038600000000, -0.0001932100000000, -0.0001078800000000 ] - [ -0.0001421600000000, -0.0001530000000000, 0.0002183600000000 ] - [ 0.0000167400000000, -0.0000479000000000, -0.0000818700000000 ] - [ -0.0000277200000000, -0.0004086400000000, -0.0001745400000000 ] - [ 0.0002083900000000, -0.0016973100000000, -0.0027289300000000 ] - [ 0.0008191100000000, 0.0005016600000000, 0.0022802800000000 ] - [ -0.0000135600000000, 0.0001037400000000, -0.0001475000000000 ] - [ -0.0005935700000000, -0.0057270900000000, -0.0014992700000000 ] - [ -0.0001892200000000, -0.0001292600000000, -0.0001622200000000 ] - [ 0.0000191800000000, -0.0005459200000000, -0.0011187400000000 ] - [ 0.0001871900000000, -0.0002414100000000, 0.0005251000000000 ] - [ -0.0001704100000000, -0.0000254700000000, 0.0000848700000000 ] - [ 0.0002261000000000, -0.0000719100000000, -0.0000049700000000 ] - [ 0.0041111300000000, -0.0040942100000000, 0.0006300500000000 ] - [ 0.0000477700000000, -0.0000581600000000, -0.0000777400000000 ] - [ -0.0000515100000000, -0.0002055600000000, -0.0000266900000000 ] - [ 0.0000226600000000, 0.0002608800000000, -0.0000323200000000 ] - [ -0.0006658600000000, 0.0003200600000000, -0.0002334400000000 ] - [ 0.0001425000000000, -0.0000815400000000, -0.0000408000000000 ] - [ 0.0006561900000000, 0.0005071200000000, -0.0002931600000000 ] - [ 0.0003674700000000, 0.0002687300000000, 0.0000541000000000 ] - [ 0.0001003100000000, 0.0001187500000000, 0.0000674600000000 ] - [ -0.0000193300000000, -0.0002566300000000, -0.0000118600000000 ] - [ -0.0001265100000000, -0.0001765100000000, 0.0003477900000000 ] - [ -0.0059925700000000, 0.0286784300000000, 0.0068278800000000 ] - [ -0.0000790200000000, 0.0001949200000000, -0.0001759500000000 ] - [ -0.0001117600000000, -0.0003663900000000, 0.0000354300000000 ] - [ 0.0001026400000000, -0.0000533400000000, 0.0000038200000000 ] - [ -0.0000615200000000, 0.0001799200000000, 0.0001475200000000 ] - [ -0.0001151700000000, -0.0002102700000000, 0.0002033600000000 ] - [ 0.0001972600000000, 0.0000661600000000, -0.0000106400000000 ] - [ 0.0000662700000000, 0.0005715800000000, -0.0000982900000000 ] - [ 0.0001371200000000, -0.0003303200000000, 0.0000114800000000 ] - [ -0.0006599700000000, -0.0011268200000000, 0.0005224300000000 ] - [ 0.0001129900000000, -0.0008044100000000, -0.0001936600000000 ] - [ -0.0001346500000000, -0.0003436100000000, -0.0002757900000000 ] - [ -0.0001318100000000, 0.0000453900000000, 0.0000591400000000 ] - [ -0.0000650200000000, 0.0001434100000000, 0.0001831100000000 ] - [ 0.0001659900000000, 0.0002062000000000, 0.0000155000000000 ] - [ -0.0000639400000000, -0.0000061700000000, -0.0000645400000000 ] - [ -0.0006171000000000, -0.0005346500000000, 0.0001725200000000 ] - [ 0.0002214700000000, -0.0001454500000000, -0.0004767200000000 ] - [ 0.0000406600000000, 0.0001389600000000, -0.0000332600000000 ] - [ -0.0000332300000000, 0.0005956500000000, -0.0006418800000000 ] - [ 0.0003555600000000, 0.0000902300000000, -0.0002360900000000 ] - [ 0.0003437300000000, 0.0005226800000000, 0.0003149100000000 ] - [ -0.0005289000000000, -0.0008946100000000, -0.0002991000000000 ] - [ -0.0005586700000000, -0.0053484900000000, -0.0007748400000000 ] - [ 0.0002270900000000, 0.0002882100000000, 0.0003610800000000 ] - [ 0.0015523800000000, -0.0037209400000000, -0.0001224700000000 ] - [ 0.0001767800000000, 0.0002833600000000, 0.0003099100000000 ] - [ -0.0002207000000000, 0.0008216800000000, 0.0002853900000000 ] - [ -0.0005579600000000, -0.0038673000000000, -0.0017863200000000 ] - [ 0.0000219100000000, -0.0000551400000000, -0.0000563800000000 ] - [ 0.0000345100000000, 0.0000362100000000, -0.0000446000000000 ] - [ 0.0001513700000000, 0.0004750100000000, 0.0000678500000000 ] - [ -0.0000088200000000, 0.0002008900000000, 0.0000823000000000 ] - [ -0.0008254000000000, 0.0003902300000000, -0.0002236800000000 ]- atom: 55 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000747300000000, -0.0000067000000000, -0.0000707700000000 ] - [ 0.0011295300000000, -0.0005675400000000, 0.0000039000000000 ] - [ -0.0005223700000000, 0.0006290400000000, -0.0001314300000000 ] - [ 0.0007782900000000, 0.0007174600000000, 0.0018613400000000 ] - [ 0.0000513800000000, -0.0001777900000000, 0.0000654600000000 ] - [ 0.0000509000000000, 0.0001754500000000, -0.0001589600000000 ] - [ -0.0000079600000000, -0.0001544800000000, 0.0001313900000000 ] - [ -0.0000880400000000, 0.0000571300000000, -0.0000487000000000 ] - [ 0.0000924200000000, -0.0002490900000000, -0.0000575800000000 ] - [ 0.0001332700000000, 0.0002389100000000, -0.0000454900000000 ] - [ 0.0000310300000000, -0.0001433400000000, 0.0001551900000000 ] - [ 0.0000544200000000, 0.0001659000000000, 0.0000481000000000 ] - [ 0.0000790700000000, -0.0000701000000000, 0.0002361200000000 ] - [ -0.0000324500000000, 0.0000891500000000, 0.0001540900000000 ] - [ 0.0000510600000000, -0.0001657500000000, 0.0001104100000000 ] - [ 0.0001484300000000, 0.0001859600000000, -0.0000005200000000 ] - [ 0.0001653700000000, -0.0002062300000000, 0.0002518600000000 ] - [ -0.0000564400000000, 0.0002029600000000, 0.0000274200000000 ] - [ 0.0000290900000000, 0.0000540300000000, 0.0003053400000000 ] - [ 0.0002532900000000, 0.0000629400000000, 0.0001680500000000 ] - [ 0.0000394000000000, 0.0002309800000000, 0.0002239900000000 ] - [ -0.0001581200000000, 0.0001388300000000, -0.0000051100000000 ] - [ -0.0001008900000000, -0.0003013700000000, 0.0000689600000000 ] - [ -0.0006908400000000, 0.0004134100000000, 0.0002430800000000 ] - [ -0.0000428900000000, -0.0000981700000000, -0.0000170800000000 ] - [ 0.0026157500000000, 0.0001888400000000, 0.0014381900000000 ] - [ -0.0000167600000000, -0.0001070300000000, 0.0003536400000000 ] - [ 0.0001224600000000, -0.0005570700000000, -0.0005036500000000 ] - [ 0.0000637500000000, 0.0001582100000000, -0.0000508600000000 ] - [ 0.0002945800000000, 0.0009354900000000, -0.0003473300000000 ] - [ -0.0001498100000000, 0.0000889900000000, 0.0003325700000000 ] - [ 0.0000141900000000, 0.0001929400000000, -0.0001412700000000 ] - [ -0.0000690400000000, 0.0002469000000000, -0.0000831900000000 ] - [ -0.0000020800000000, -0.0000652900000000, -0.0000147700000000 ] - [ -0.0006104900000000, 0.0042044300000000, 0.0042013600000000 ] - [ 0.0014675900000000, -0.0007485000000000, 0.0062968700000000 ] - [ -0.0002397400000000, -0.0001185700000000, 0.0001289100000000 ] - [ 0.0001552300000000, 0.0004401800000000, -0.0004787100000000 ] - [ -0.0000409400000000, -0.0000021200000000, 0.0000249800000000 ] - [ -0.0006536700000000, 0.0008268500000000, 0.0010237300000000 ] - [ 0.0011430400000000, -0.0008702200000000, 0.0012745400000000 ] - [ -0.0001258600000000, -0.0000400600000000, 0.0000063700000000 ] - [ 0.0002367500000000, -0.0000430600000000, 0.0000265800000000 ] - [ 0.0000589700000000, -0.0002442100000000, -0.0004298300000000 ] - [ -0.0000372700000000, 0.0000931100000000, -0.0000822500000000 ] - [ -0.0000293900000000, -0.0001137300000000, -0.0000250100000000 ] - [ -0.0000614500000000, 0.0000888700000000, -0.0000026200000000 ] - [ 0.0011086700000000, -0.0001036900000000, 0.0004913700000000 ] - [ 0.0001417200000000, -0.0000626500000000, 0.0000622200000000 ] - [ -0.0020151900000000, 0.0008365700000000, -0.0006504100000000 ] - [ 0.0001392700000000, 0.0000374100000000, 0.0001606400000000 ] - [ 0.0003482500000000, -0.0000122500000000, -0.0000710700000000 ] - [ -0.0000281500000000, 0.0000903700000000, 0.0003089500000000 ] - [ -0.0001043300000000, 0.0002597800000000, -0.0001638300000000 ] - [ -0.0059329100000000, -0.0068458100000000, -0.0297365600000000 ] - [ -0.0000890500000000, -0.0001294700000000, 0.0003459900000000 ] - [ 0.0000815900000000, -0.0000629600000000, -0.0000944200000000 ] - [ -0.0001214000000000, 0.0000628900000000, 0.0001793700000000 ] - [ -0.0000528100000000, 0.0001833300000000, 0.0002657100000000 ] - [ -0.0000734300000000, -0.0001766100000000, 0.0000785500000000 ] - [ 0.0001327800000000, -0.0002363500000000, -0.0002738900000000 ] - [ 0.0002608300000000, -0.0000694000000000, 0.0001360600000000 ] - [ -0.0000153600000000, -0.0001179900000000, -0.0004898700000000 ] - [ -0.0006168700000000, -0.0006142300000000, 0.0012214300000000 ] - [ -0.0005846300000000, 0.0001729900000000, -0.0005738200000000 ] - [ -0.0001273800000000, 0.0000200600000000, -0.0001684200000000 ] - [ -0.0001113700000000, 0.0000469600000000, -0.0002292800000000 ] - [ 0.0001628500000000, -0.0005134500000000, 0.0007362100000000 ] - [ 0.0000705600000000, 0.0000039600000000, -0.0001671900000000 ] - [ -0.0000539700000000, -0.0000991100000000, -0.0000538700000000 ] - [ -0.0000168200000000, 0.0002143700000000, -0.0004085100000000 ] - [ -0.0004414900000000, 0.0002532900000000, -0.0002572200000000 ] - [ 0.0002508300000000, 0.0002171800000000, -0.0000258800000000 ] - [ 0.0000791400000000, 0.0004131600000000, 0.0009549100000000 ] - [ 0.0001233200000000, 0.0001485600000000, -0.0002221400000000 ] - [ 0.0000202600000000, -0.0006480700000000, 0.0004212500000000 ] - [ -0.0004013100000000, -0.0005080800000000, -0.0007996700000000 ] - [ 0.0016291900000000, -0.0000000300000000, 0.0039047300000000 ] - [ 0.0002860900000000, -0.0007153300000000, -0.0002472700000000 ] - [ 0.0006926100000000, 0.0002727300000000, 0.0066541800000000 ] - [ 0.0005949900000000, -0.0001364100000000, -0.0005649600000000 ] - [ -0.0001243600000000, 0.0000838600000000, -0.0002604800000000 ] - [ -0.0007691100000000, 0.0016410300000000, 0.0031708600000000 ] - [ -0.0000065000000000, 0.0000485900000000, -0.0000948800000000 ] - [ 0.0000221700000000, -0.0000748500000000, 0.0002295800000000 ] - [ -0.0004220700000000, 0.0002572500000000, -0.0004243100000000 ] - [ 0.0000103800000000, -0.0000973500000000, 0.0000197900000000 ] - [ 0.0003555500000000, 0.0001832000000000, 0.0001688300000000 ]- atom: 55 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000656900000000, -0.0000131800000000, -0.0000655300000000 ] - [ -0.0009826800000000, 0.0005863500000000, -0.0001335000000000 ] - [ 0.0002603600000000, -0.0004439900000000, 0.0002075500000000 ] - [ -0.0010276000000000, -0.0008811400000000, -0.0017708800000000 ] - [ 0.0000705000000000, -0.0001598400000000, -0.0000914700000000 ] - [ 0.0000711700000000, 0.0001622100000000, 0.0001321000000000 ] - [ -0.0001695600000000, -0.0000133500000000, -0.0001173500000000 ] - [ -0.0000902400000000, 0.0001098000000000, 0.0000599900000000 ] - [ 0.0000462100000000, -0.0003268700000000, -0.0000631300000000 ] - [ 0.0000051000000000, 0.0003366500000000, -0.0000757400000000 ] - [ 0.0000190600000000, -0.0001273800000000, 0.0000932900000000 ] - [ -0.0000048300000000, 0.0001038500000000, 0.0002006300000000 ] - [ -0.0001872000000000, -0.0001018900000000, 0.0000659000000000 ] - [ -0.0000764400000000, 0.0000832500000000, 0.0001476200000000 ] - [ 0.0000221800000000, -0.0001930500000000, 0.0000611300000000 ] - [ -0.0000756400000000, 0.0001730700000000, 0.0001713300000000 ] - [ -0.0001913100000000, -0.0002002500000000, -0.0001142000000000 ] - [ 0.0000310500000000, 0.0002033500000000, 0.0001098200000000 ] - [ 0.0001026400000000, -0.0000583200000000, 0.0001802500000000 ] - [ -0.0001202200000000, -0.0000580500000000, 0.0003167200000000 ] - [ -0.0002084500000000, -0.0002047500000000, -0.0000776400000000 ] - [ -0.0000122300000000, -0.0001626500000000, 0.0001504300000000 ] - [ -0.0002959400000000, -0.0001042100000000, -0.0000321300000000 ] - [ 0.0002911100000000, -0.0000068500000000, -0.0002032300000000 ] - [ 0.0000130700000000, -0.0000608200000000, -0.0002523900000000 ] - [ -0.0026186700000000, -0.0000250800000000, -0.0016938800000000 ] - [ -0.0001479200000000, -0.0001205800000000, -0.0002909400000000 ] - [ -0.0002872700000000, 0.0007871000000000, 0.0005675400000000 ] - [ 0.0000658300000000, -0.0000688900000000, -0.0002595100000000 ] - [ -0.0001658200000000, -0.0010199300000000, 0.0000289400000000 ] - [ 0.0000878900000000, -0.0002590900000000, -0.0002950800000000 ] - [ -0.0000765800000000, -0.0000224300000000, 0.0001772900000000 ] - [ 0.0000596600000000, -0.0000305600000000, -0.0000408600000000 ] - [ -0.0000070200000000, -0.0001484700000000, -0.0001077700000000 ] - [ 0.0007203400000000, -0.0040297900000000, -0.0041678500000000 ] - [ -0.0013486700000000, 0.0004579000000000, -0.0060396400000000 ] - [ 0.0001697100000000, 0.0001094200000000, -0.0003524700000000 ] - [ -0.0002247000000000, -0.0004054600000000, 0.0002622500000000 ] - [ -0.0000950200000000, -0.0000594300000000, -0.0000906900000000 ] - [ 0.0005087600000000, -0.0007536000000000, -0.0010754000000000 ] - [ -0.0012450900000000, 0.0008093300000000, -0.0013309600000000 ] - [ 0.0000492700000000, 0.0001166400000000, -0.0000402500000000 ] - [ 0.0002686500000000, -0.0000278300000000, -0.0000211100000000 ] - [ 0.0004543800000000, 0.0003046200000000, 0.0004348900000000 ] - [ 0.0000434500000000, 0.0000048400000000, -0.0000739000000000 ] - [ 0.0000357700000000, 0.0000165100000000, -0.0001310700000000 ] - [ 0.0001505800000000, 0.0003264200000000, -0.0001261700000000 ] - [ -0.0010277000000000, -0.0003125800000000, -0.0006238300000000 ] - [ 0.0001436900000000, -0.0001414800000000, -0.0001376700000000 ] - [ 0.0023054000000000, -0.0006392500000000, 0.0005726300000000 ] - [ 0.0001758400000000, -0.0000605400000000, 0.0000004300000000 ] - [ -0.0000308700000000, 0.0000343500000000, 0.0002313000000000 ] - [ -0.0002463600000000, -0.0001582500000000, -0.0000847100000000 ] - [ -0.0001701400000000, -0.0001894000000000, 0.0003857600000000 ] - [ 0.0056904200000000, 0.0066900600000000, 0.0293027400000000 ] - [ -0.0000246100000000, 0.0002328900000000, -0.0003341000000000 ] - [ 0.0000589800000000, -0.0000027900000000, 0.0000772800000000 ] - [ 0.0002593000000000, 0.0000041300000000, -0.0001953700000000 ] - [ -0.0000511700000000, 0.0001216100000000, -0.0000316100000000 ] - [ -0.0000299300000000, -0.0001282600000000, 0.0001548900000000 ] - [ 0.0000365500000000, -0.0000760300000000, 0.0000600200000000 ] - [ -0.0000905200000000, 0.0003788900000000, -0.0003490200000000 ] - [ -0.0000239200000000, -0.0000817900000000, 0.0003431600000000 ] - [ 0.0005401200000000, 0.0007796800000000, -0.0013379200000000 ] - [ 0.0002394400000000, 0.0000433400000000, 0.0001952000000000 ] - [ -0.0002177500000000, -0.0002364300000000, -0.0002108100000000 ] - [ -0.0000821100000000, 0.0001099400000000, 0.0001958300000000 ] - [ -0.0003620600000000, 0.0003613200000000, -0.0007697100000000 ] - [ -0.0000045100000000, 0.0001373800000000, 0.0000470100000000 ] - [ 0.0001194200000000, -0.0000452100000000, -0.0000684800000000 ] - [ 0.0000525300000000, -0.0001787800000000, 0.0003395900000000 ] - [ 0.0004770300000000, -0.0002869300000000, 0.0001852500000000 ] - [ -0.0000490900000000, -0.0002418500000000, 0.0000632500000000 ] - [ 0.0001227000000000, -0.0003911700000000, -0.0009231400000000 ] - [ 0.0001999400000000, -0.0000959300000000, 0.0000342900000000 ] - [ 0.0003066500000000, 0.0005905100000000, -0.0006068000000000 ] - [ 0.0002092200000000, 0.0002408300000000, 0.0009090000000000 ] - [ -0.0018015600000000, 0.0002140600000000, -0.0038212100000000 ] - [ -0.0002799900000000, 0.0008787000000000, 0.0002992200000000 ] - [ -0.0005214300000000, -0.0002639200000000, -0.0061943900000000 ] - [ -0.0004354500000000, 0.0000403600000000, 0.0004650500000000 ] - [ 0.0002875500000000, 0.0000084600000000, 0.0001584900000000 ] - [ 0.0005147400000000, -0.0015608200000000, -0.0031583900000000 ] - [ -0.0001924800000000, -0.0001111000000000, 0.0001508000000000 ] - [ -0.0000893100000000, -0.0001229300000000, -0.0001511400000000 ] - [ 0.0003616400000000, -0.0000591500000000, 0.0004976800000000 ] - [ 0.0000123800000000, 0.0000593200000000, 0.0001216400000000 ] - [ -0.0003359400000000, -0.0001448200000000, -0.0000251200000000 ]- atom: 57 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000819700000000, -0.0004339100000000, -0.0008217100000000 ] - [ 0.0003025300000000, 0.0011819600000000, 0.0005362200000000 ] - [ 0.0017611600000000, 0.0009365800000000, -0.0007561200000000 ] - [ -0.0001338800000000, -0.0000785200000000, 0.0000295800000000 ] - [ 0.0000928900000000, -0.0001602400000000, -0.0000915800000000 ] - [ 0.0006076900000000, 0.0011856600000000, -0.0001545800000000 ] - [ -0.0000518900000000, -0.0001077200000000, 0.0000769400000000 ] - [ 0.0036167400000000, -0.0005400700000000, -0.0034797700000000 ] - [ 0.0001144900000000, -0.0002747300000000, -0.0000634500000000 ] - [ 0.0015155800000000, 0.0014566100000000, 0.0008059300000000 ] - [ 0.0000693800000000, -0.0001362800000000, 0.0000712800000000 ] - [ 0.0001169500000000, 0.0002788600000000, 0.0001053600000000 ] - [ 0.0000954500000000, -0.0000050200000000, 0.0002324300000000 ] - [ 0.0000809300000000, 0.0000656100000000, 0.0001943200000000 ] - [ 0.0001566700000000, -0.0002040400000000, -0.0000372100000000 ] - [ 0.0001812300000000, 0.0001901800000000, 0.0000722400000000 ] - [ 0.0000696900000000, -0.0002193400000000, 0.0000772100000000 ] - [ 0.0003026000000000, 0.0003048200000000, 0.0000440500000000 ] - [ 0.0003872100000000, -0.0000725200000000, 0.0001091200000000 ] - [ 0.0001611000000000, -0.0000139900000000, 0.0002178500000000 ] - [ -0.0000765900000000, -0.0000129700000000, 0.0000813200000000 ] - [ 0.0000689600000000, -0.0001773200000000, 0.0001256300000000 ] - [ -0.0001751700000000, -0.0001845300000000, 0.0000057000000000 ] - [ -0.0000382200000000, 0.0003539800000000, 0.0000177800000000 ] - [ 0.0001440000000000, 0.0000523500000000, -0.0003321500000000 ] - [ 0.0000137200000000, 0.0000797700000000, -0.0001120200000000 ] - [ -0.0000804700000000, -0.0000934000000000, -0.0000078300000000 ] - [ -0.0000329000000000, 0.0002064800000000, 0.0001476600000000 ] - [ 0.0000436100000000, -0.0000278800000000, -0.0002833600000000 ] - [ 0.0001295000000000, -0.0001648200000000, -0.0000329500000000 ] - [ -0.0000400800000000, -0.0001237400000000, -0.0000164800000000 ] - [ 0.0065690200000000, 0.0016472800000000, 0.0008232900000000 ] - [ 0.0000226000000000, 0.0000202600000000, 0.0000239900000000 ] - [ 0.0011423000000000, -0.0007926300000000, -0.0009410300000000 ] - [ -0.0000780300000000, 0.0003378200000000, -0.0000369400000000 ] - [ 0.0000391800000000, -0.0001215200000000, 0.0000680600000000 ] - [ -0.0001011800000000, -0.0000054400000000, -0.0000846400000000 ] - [ 0.0013285100000000, 0.0024002900000000, -0.0001627800000000 ] - [ -0.0002156700000000, 0.0002664500000000, -0.0010050200000000 ] - [ -0.0001220000000000, 0.0000048100000000, -0.0000117700000000 ] - [ -0.0001689400000000, -0.0000341000000000, 0.0000098200000000 ] - [ -0.0005129500000000, 0.0003074500000000, 0.0007643400000000 ] - [ 0.0000882800000000, 0.0000298800000000, -0.0001239000000000 ] - [ -0.0003634000000000, -0.0020768600000000, -0.0007155100000000 ] - [ -0.0004447300000000, 0.0003322600000000, -0.0004145900000000 ] - [ -0.0005364700000000, -0.0002969500000000, 0.0001372200000000 ] - [ -0.0000044700000000, 0.0001728800000000, -0.0000526400000000 ] - [ -0.0000460000000000, -0.0001065700000000, -0.0000363400000000 ] - [ 0.0000398200000000, -0.0001924400000000, -0.0001824800000000 ] - [ 0.0000371300000000, 0.0001432900000000, -0.0000631400000000 ] - [ 0.0003660800000000, 0.0001202100000000, -0.0000289500000000 ] - [ 0.0002601400000000, -0.0000184100000000, 0.0000211500000000 ] - [ 0.0000593100000000, -0.0002783600000000, 0.0000895900000000 ] - [ 0.0001735100000000, -0.0000001900000000, 0.0003294200000000 ] - [ -0.0002034700000000, 0.0001313700000000, 0.0000150100000000 ] - [ -0.0002927000000000, 0.0000838000000000, -0.0001874700000000 ] - [ -0.0303405900000000, -0.0063117800000000, 0.0072257000000000 ] - [ -0.0000284800000000, 0.0000425800000000, 0.0000274400000000 ] - [ -0.0000679100000000, 0.0001829300000000, 0.0001382000000000 ] - [ 0.0003611200000000, -0.0013422100000000, -0.0005558300000000 ] - [ 0.0003289700000000, 0.0000175900000000, 0.0001343800000000 ] - [ 0.0012600700000000, -0.0003630600000000, 0.0005065400000000 ] - [ 0.0001824200000000, -0.0001868200000000, -0.0000385500000000 ] - [ 0.0002025600000000, 0.0000090300000000, -0.0002243700000000 ] - [ -0.0002859000000000, 0.0001992000000000, -0.0001384800000000 ] - [ -0.0005267900000000, -0.0003228900000000, -0.0003565600000000 ] - [ -0.0002150800000000, 0.0000412700000000, -0.0001986600000000 ] - [ -0.0004925300000000, -0.0004838200000000, -0.0000749200000000 ] - [ -0.0004920400000000, -0.0002654400000000, -0.0002681600000000 ] - [ -0.0004206600000000, 0.0002449300000000, 0.0007861100000000 ] - [ -0.0000294600000000, 0.0001530900000000, -0.0002448300000000 ] - [ -0.0002295800000000, -0.0000280100000000, -0.0000041700000000 ] - [ 0.0000435500000000, 0.0000011200000000, 0.0001054700000000 ] - [ -0.0008104600000000, -0.0003287200000000, 0.0003507100000000 ] - [ -0.0004094300000000, 0.0006027900000000, 0.0000233400000000 ] - [ 0.0000357400000000, 0.0000861500000000, -0.0001803700000000 ] - [ -0.0000797900000000, -0.0002056000000000, 0.0000743000000000 ] - [ -0.0002682800000000, -0.0002790300000000, -0.0002365100000000 ] - [ 0.0004243400000000, -0.0000772500000000, 0.0005893100000000 ] - [ 0.0000304500000000, -0.0000032000000000, -0.0000851400000000 ] - [ 0.0002923000000000, 0.0000043500000000, -0.0000918700000000 ] - [ 0.0065505600000000, 0.0012004800000000, -0.0003262300000000 ] - [ 0.0006216100000000, 0.0003509400000000, 0.0004095800000000 ] - [ 0.0007099100000000, -0.0000489800000000, -0.0003476300000000 ] - [ 0.0042032300000000, 0.0008891200000000, -0.0008170500000000 ] - [ 0.0000561600000000, 0.0004791500000000, -0.0000485000000000 ] - [ -0.0002660400000000, -0.0002441600000000, 0.0000144900000000 ] - [ 0.0031393100000000, 0.0006498600000000, -0.0011438600000000 ]- atom: 57 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000692100000000, 0.0004125300000000, 0.0006719900000000 ] - [ -0.0001535400000000, -0.0011586200000000, -0.0006745800000000 ] - [ -0.0019990700000000, -0.0007547900000000, 0.0008166800000000 ] - [ -0.0001249700000000, -0.0000942900000000, 0.0000386500000000 ] - [ 0.0000288400000000, -0.0001739700000000, 0.0000618300000000 ] - [ -0.0004902900000000, -0.0008592200000000, 0.0001271300000000 ] - [ -0.0001266500000000, -0.0000606900000000, -0.0000638800000000 ] - [ -0.0038807200000000, 0.0007193100000000, 0.0035718200000000 ] - [ 0.0000260400000000, -0.0003004300000000, -0.0000580900000000 ] - [ -0.0014022900000000, -0.0009091900000000, -0.0009431700000000 ] - [ -0.0000171200000000, -0.0001372200000000, 0.0001753100000000 ] - [ -0.0000653700000000, -0.0000060500000000, 0.0001429300000000 ] - [ -0.0002032700000000, -0.0001661100000000, 0.0000721300000000 ] - [ -0.0001897600000000, 0.0001056500000000, 0.0001091900000000 ] - [ -0.0000807600000000, -0.0001535800000000, 0.0002051700000000 ] - [ -0.0001079100000000, 0.0001679700000000, 0.0000967900000000 ] - [ -0.0000978700000000, -0.0001864000000000, 0.0000565700000000 ] - [ -0.0003313600000000, 0.0001010400000000, 0.0000881000000000 ] - [ -0.0002548100000000, 0.0000691000000000, 0.0003788500000000 ] - [ -0.0000296500000000, 0.0000173300000000, 0.0002697800000000 ] - [ -0.0000952800000000, 0.0000371500000000, 0.0000632500000000 ] - [ -0.0002403400000000, 0.0001525500000000, 0.0000201200000000 ] - [ -0.0002239000000000, -0.0002194600000000, 0.0000306700000000 ] - [ -0.0003604400000000, 0.0000498100000000, 0.0000190100000000 ] - [ -0.0001740100000000, -0.0002121500000000, 0.0000624300000000 ] - [ -0.0000441300000000, 0.0000807900000000, -0.0001565000000000 ] - [ -0.0000850000000000, -0.0001323000000000, 0.0000695100000000 ] - [ -0.0001322600000000, 0.0000193000000000, -0.0000846800000000 ] - [ 0.0000874300000000, 0.0001205100000000, -0.0000288600000000 ] - [ 0.0000023200000000, 0.0000714400000000, -0.0002789000000000 ] - [ -0.0000196600000000, -0.0000497600000000, 0.0000529600000000 ] - [ -0.0064907600000000, -0.0014469800000000, -0.0007592300000000 ] - [ -0.0000277100000000, 0.0001951200000000, -0.0001448000000000 ] - [ -0.0011298000000000, 0.0005686400000000, 0.0008080300000000 ] - [ 0.0001753100000000, -0.0000699900000000, 0.0001667000000000 ] - [ 0.0000582500000000, -0.0001455100000000, 0.0000617800000000 ] - [ 0.0000315300000000, -0.0000015900000000, -0.0001418900000000 ] - [ -0.0013855800000000, -0.0023679200000000, -0.0000681800000000 ] - [ 0.0000730900000000, -0.0003254100000000, 0.0009378900000000 ] - [ -0.0000151500000000, 0.0000549700000000, -0.0000511700000000 ] - [ 0.0000931600000000, -0.0000397300000000, -0.0000397200000000 ] - [ 0.0004394100000000, -0.0002315200000000, -0.0007950100000000 ] - [ 0.0004174800000000, -0.0001004700000000, 0.0001270000000000 ] - [ 0.0008684000000000, 0.0021530800000000, 0.0007273300000000 ] - [ 0.0004546600000000, -0.0002357500000000, 0.0002327200000000 ] - [ 0.0005393000000000, 0.0002106900000000, -0.0002772500000000 ] - [ 0.0000879100000000, 0.0002405600000000, -0.0000736300000000 ] - [ 0.0001297900000000, -0.0003070800000000, -0.0000895300000000 ] - [ 0.0002428000000000, -0.0000150500000000, 0.0001057200000000 ] - [ 0.0002457600000000, 0.0000636300000000, -0.0000118400000000 ] - [ -0.0000478600000000, -0.0001447300000000, 0.0001900200000000 ] - [ 0.0000577500000000, 0.0000421900000000, 0.0001408600000000 ] - [ -0.0003348700000000, 0.0002051600000000, 0.0001352500000000 ] - [ -0.0004488500000000, 0.0000713100000000, -0.0001021400000000 ] - [ 0.0000923200000000, -0.0002325700000000, -0.0000052400000000 ] - [ 0.0001812100000000, 0.0000198600000000, 0.0001950900000000 ] - [ 0.0300309800000000, 0.0061196300000000, -0.0071943300000000 ] - [ 0.0001652600000000, 0.0000225500000000, -0.0000474700000000 ] - [ -0.0000372300000000, 0.0001237000000000, 0.0000940400000000 ] - [ -0.0004630800000000, 0.0010390500000000, 0.0007879800000000 ] - [ -0.0001581800000000, -0.0003272000000000, -0.0003451500000000 ] - [ -0.0010645600000000, 0.0006387100000000, -0.0006870000000000 ] - [ -0.0002227200000000, -0.0000127700000000, -0.0001070200000000 ] - [ -0.0002420100000000, 0.0001922600000000, 0.0000776400000000 ] - [ -0.0000462400000000, 0.0000156000000000, -0.0002412100000000 ] - [ 0.0001937100000000, 0.0001096800000000, -0.0000209900000000 ] - [ 0.0000293800000000, 0.0001163000000000, 0.0001699400000000 ] - [ 0.0003068700000000, 0.0003271900000000, 0.0000457100000000 ] - [ 0.0005570100000000, 0.0004159600000000, 0.0001439000000000 ] - [ 0.0004782400000000, -0.0003961700000000, -0.0009116900000000 ] - [ 0.0000639300000000, -0.0001137700000000, 0.0001708000000000 ] - [ 0.0002551300000000, -0.0000082000000000, -0.0000649300000000 ] - [ 0.0001522100000000, -0.0000326100000000, -0.0000734400000000 ] - [ 0.0010096000000000, 0.0003573000000000, -0.0003088100000000 ] - [ 0.0007274800000000, -0.0005415800000000, -0.0002179500000000 ] - [ 0.0002834300000000, -0.0001463300000000, -0.0000125200000000 ] - [ -0.0001120500000000, -0.0000497500000000, 0.0000299000000000 ] - [ 0.0000751300000000, 0.0005384200000000, 0.0003358600000000 ] - [ -0.0004076100000000, 0.0002385400000000, -0.0005217200000000 ] - [ -0.0000169100000000, -0.0001564500000000, 0.0001499000000000 ] - [ -0.0001337300000000, -0.0001040600000000, -0.0000116300000000 ] - [ -0.0059988500000000, -0.0009418700000000, 0.0000554300000000 ] - [ -0.0008263500000000, -0.0002949500000000, -0.0003646100000000 ] - [ -0.0009137300000000, -0.0000105900000000, 0.0004086600000000 ] - [ -0.0042962700000000, -0.0010668800000000, 0.0009513200000000 ] - [ -0.0001169700000000, -0.0002893900000000, 0.0001268500000000 ] - [ 0.0002939700000000, 0.0002119400000000, 0.0001341500000000 ] - [ -0.0031568100000000, -0.0006854600000000, 0.0012674100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004995000000000, 0.0000233000000000, 0.0008068100000000 ] - [ 0.0009715900000000, 0.0018688700000000, 0.0007135600000000 ] - [ 0.0005744200000000, -0.0000101900000000, -0.0004168000000000 ] - [ -0.0001246300000000, -0.0000892100000000, 0.0000402000000000 ] - [ 0.0000603700000000, -0.0002201800000000, 0.0000786100000000 ] - [ 0.0007299100000000, 0.0011941200000000, -0.0006906100000000 ] - [ -0.0000406300000000, -0.0001564400000000, 0.0001728700000000 ] - [ -0.0001540700000000, -0.0002873700000000, -0.0004907400000000 ] - [ 0.0000564900000000, -0.0004225700000000, -0.0000766600000000 ] - [ 0.0010724500000000, 0.0000989600000000, 0.0003297500000000 ] - [ -0.0000151200000000, -0.0000396400000000, 0.0001864600000000 ] - [ 0.0001724600000000, 0.0004485400000000, 0.0000420400000000 ] - [ 0.0001731300000000, 0.0000389500000000, 0.0002792400000000 ] - [ -0.0000924500000000, 0.0001073400000000, 0.0001414000000000 ] - [ -0.0000159100000000, -0.0001666100000000, 0.0001194700000000 ] - [ 0.0001635500000000, 0.0001774900000000, 0.0000437100000000 ] - [ 0.0000335800000000, -0.0002040300000000, 0.0000941300000000 ] - [ 0.0000564200000000, 0.0002440900000000, 0.0000817900000000 ] - [ 0.0002357800000000, -0.0000605800000000, 0.0001632500000000 ] - [ 0.0000901000000000, 0.0000007400000000, 0.0002196700000000 ] - [ -0.0001076200000000, -0.0000489800000000, 0.0000715100000000 ] - [ -0.0000061900000000, -0.0001573600000000, 0.0001254700000000 ] - [ -0.0002067300000000, -0.0001318000000000, 0.0000064400000000 ] - [ -0.0001123500000000, 0.0003147500000000, 0.0000089500000000 ] - [ 0.0000617500000000, -0.0000092400000000, -0.0001801600000000 ] - [ -0.0000196600000000, 0.0000902100000000, -0.0001488700000000 ] - [ -0.0000723400000000, -0.0000955000000000, 0.0000423700000000 ] - [ -0.0000726400000000, 0.0001473300000000, 0.0000575500000000 ] - [ 0.0000512300000000, -0.0000175400000000, -0.0001922000000000 ] - [ -0.0000202400000000, -0.0000107000000000, -0.0002404300000000 ] - [ -0.0000303100000000, -0.0000969800000000, 0.0000230300000000 ] - [ 0.0005457100000000, -0.0003740500000000, 0.0002930300000000 ] - [ -0.0000281100000000, 0.0000639400000000, -0.0000907900000000 ] - [ -0.0007373100000000, -0.0005921500000000, 0.0001360900000000 ] - [ -0.0000121800000000, 0.0002891700000000, 0.0000183500000000 ] - [ 0.0000780400000000, -0.0000422700000000, 0.0000588600000000 ] - [ -0.0000699400000000, 0.0000230600000000, -0.0000991500000000 ] - [ 0.0033321000000000, 0.0037931100000000, -0.0006160900000000 ] - [ 0.0001290500000000, 0.0001533900000000, -0.0005674300000000 ] - [ -0.0001821400000000, 0.0000912400000000, -0.0001407800000000 ] - [ -0.0001461400000000, 0.0000411900000000, 0.0001019700000000 ] - [ 0.0000007400000000, 0.0006992900000000, 0.0010502800000000 ] - [ 0.0002687500000000, -0.0001204000000000, 0.0000272500000000 ] - [ -0.0003206300000000, 0.0059341800000000, 0.0014868200000000 ] - [ 0.0008958300000000, -0.0006460500000000, -0.0024388500000000 ] - [ 0.0001949800000000, 0.0018002900000000, 0.0028926700000000 ] - [ 0.0000696900000000, 0.0003599300000000, -0.0000454500000000 ] - [ 0.0000486200000000, 0.0000492300000000, 0.0000303900000000 ] - [ 0.0001682800000000, 0.0000042200000000, 0.0000621100000000 ] - [ 0.0000452100000000, 0.0003086000000000, -0.0002291400000000 ] - [ 0.0002794800000000, 0.0001942600000000, 0.0001718600000000 ] - [ 0.0001297300000000, 0.0002299700000000, -0.0000975900000000 ] - [ 0.0000660700000000, -0.0003152800000000, 0.0001245200000000 ] - [ -0.0001629100000000, -0.0000613200000000, 0.0001350400000000 ] - [ -0.0002334700000000, 0.0002774800000000, -0.0000219300000000 ] - [ -0.0000526800000000, 0.0001410200000000, -0.0000213500000000 ] - [ -0.0060742600000000, -0.0338058700000000, -0.0101927900000000 ] - [ 0.0000605900000000, -0.0000709700000000, 0.0001351200000000 ] - [ -0.0000845200000000, 0.0002305100000000, 0.0002131500000000 ] - [ -0.0015926300000000, 0.0026230400000000, 0.0022160400000000 ] - [ 0.0002160000000000, 0.0000536000000000, -0.0001482000000000 ] - [ -0.0004789700000000, 0.0012278700000000, -0.0006113100000000 ] - [ 0.0000919500000000, -0.0002936600000000, -0.0001401600000000 ] - [ -0.0000116900000000, -0.0002071500000000, -0.0000737900000000 ] - [ 0.0000648300000000, 0.0001196000000000, -0.0000696900000000 ] - [ -0.0001555500000000, -0.0002947500000000, -0.0007634500000000 ] - [ -0.0001424800000000, -0.0001941500000000, 0.0001426100000000 ] - [ -0.0002193600000000, -0.0006482800000000, 0.0005552500000000 ] - [ -0.0005404900000000, 0.0006268000000000, -0.0002261700000000 ] - [ 0.0001268500000000, 0.0000420000000000, 0.0004830100000000 ] - [ 0.0001170300000000, -0.0001119500000000, -0.0001221100000000 ] - [ -0.0000463500000000, -0.0000671700000000, -0.0000402800000000 ] - [ 0.0000674600000000, 0.0000128900000000, -0.0000402300000000 ] - [ 0.0001129200000000, -0.0002274700000000, -0.0002005700000000 ] - [ 0.0004789700000000, 0.0009479100000000, -0.0001137600000000 ] - [ 0.0002057800000000, 0.0001904600000000, -0.0000445000000000 ] - [ -0.0001107800000000, -0.0003250700000000, 0.0000420200000000 ] - [ -0.0008045000000000, -0.0002457000000000, 0.0002747100000000 ] - [ 0.0002413600000000, -0.0003003300000000, 0.0000327600000000 ] - [ 0.0000775300000000, -0.0002018100000000, 0.0001033600000000 ] - [ 0.0001846600000000, -0.0000246300000000, 0.0000272500000000 ] - [ 0.0002152600000000, 0.0039587800000000, 0.0016256400000000 ] - [ -0.0004634600000000, -0.0006072900000000, -0.0002846000000000 ] - [ 0.0000864900000000, -0.0003788400000000, -0.0002933200000000 ] - [ 0.0007526200000000, 0.0047994100000000, 0.0019277400000000 ] - [ 0.0001699200000000, -0.0000737000000000, -0.0002276700000000 ] - [ -0.0004378100000000, 0.0006872500000000, 0.0003607800000000 ] - [ 0.0006730600000000, 0.0077268700000000, 0.0018206300000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006427400000000, -0.0000491300000000, -0.0009525700000000 ] - [ -0.0008387900000000, -0.0018709700000000, -0.0008593600000000 ] - [ -0.0008456600000000, 0.0001751500000000, 0.0004891100000000 ] - [ -0.0001333300000000, -0.0000828200000000, 0.0000295100000000 ] - [ 0.0000611900000000, -0.0001172400000000, -0.0001043300000000 ] - [ -0.0006180100000000, -0.0008702200000000, 0.0006730000000000 ] - [ -0.0001375000000000, -0.0000107500000000, -0.0001609800000000 ] - [ -0.0000136200000000, 0.0004559000000000, 0.0004949500000000 ] - [ 0.0000818200000000, -0.0001534200000000, -0.0000441100000000 ] - [ -0.0009381200000000, 0.0004841400000000, -0.0004503000000000 ] - [ 0.0000657600000000, -0.0002326200000000, 0.0000616600000000 ] - [ -0.0001227600000000, -0.0001795400000000, 0.0002073500000000 ] - [ -0.0002829900000000, -0.0002113900000000, 0.0000225700000000 ] - [ -0.0000163900000000, 0.0000654800000000, 0.0001603500000000 ] - [ 0.0000883600000000, -0.0001922000000000, 0.0000521400000000 ] - [ -0.0000907400000000, 0.0001820500000000, 0.0001284700000000 ] - [ -0.0000591200000000, -0.0002021000000000, 0.0000433400000000 ] - [ -0.0000835500000000, 0.0001615500000000, 0.0000567100000000 ] - [ -0.0001041400000000, 0.0000558300000000, 0.0003226900000000 ] - [ 0.0000417800000000, 0.0000044300000000, 0.0002656900000000 ] - [ -0.0000620800000000, 0.0000746500000000, 0.0000742600000000 ] - [ -0.0001645500000000, 0.0001331200000000, 0.0000209700000000 ] - [ -0.0001897700000000, -0.0002732700000000, 0.0000306600000000 ] - [ -0.0002849100000000, 0.0000884300000000, 0.0000277700000000 ] - [ -0.0000922600000000, -0.0001499200000000, -0.0000885800000000 ] - [ -0.0000101000000000, 0.0000690900000000, -0.0001202500000000 ] - [ -0.0000927700000000, -0.0001338000000000, 0.0000211500000000 ] - [ -0.0000928700000000, 0.0000815900000000, 0.0000058400000000 ] - [ 0.0000774000000000, 0.0001071300000000, -0.0001194700000000 ] - [ 0.0001497600000000, -0.0000784900000000, -0.0000713000000000 ] - [ -0.0000316200000000, -0.0000728200000000, 0.0000139900000000 ] - [ -0.0006388100000000, 0.0005345000000000, -0.0002563500000000 ] - [ 0.0000191000000000, 0.0001527800000000, -0.0000330800000000 ] - [ 0.0007285300000000, 0.0003763000000000, -0.0002599100000000 ] - [ 0.0001073300000000, -0.0000228300000000, 0.0001102000000000 ] - [ 0.0000167100000000, -0.0002251000000000, 0.0000693100000000 ] - [ 0.0000005100000000, -0.0000313400000000, -0.0001247800000000 ] - [ -0.0033244600000000, -0.0036983600000000, 0.0003785600000000 ] - [ -0.0002660500000000, -0.0002171500000000, 0.0005043300000000 ] - [ 0.0000458400000000, -0.0000293500000000, 0.0000731900000000 ] - [ 0.0000699200000000, -0.0001170000000000, -0.0001351300000000 ] - [ -0.0000771100000000, -0.0006173900000000, -0.0010737700000000 ] - [ 0.0002367600000000, 0.0000497700000000, -0.0000218400000000 ] - [ 0.0008487800000000, -0.0059908000000000, -0.0015068100000000 ] - [ -0.0008824500000000, 0.0007438800000000, 0.0022800500000000 ] - [ -0.0001964300000000, -0.0019147800000000, -0.0030821700000000 ] - [ 0.0000195200000000, 0.0000558500000000, -0.0000829600000000 ] - [ 0.0000386000000000, -0.0004643500000000, -0.0001591600000000 ] - [ 0.0001170000000000, -0.0002081500000000, -0.0001378700000000 ] - [ 0.0002407900000000, -0.0001052800000000, 0.0001543500000000 ] - [ 0.0000352400000000, -0.0002177700000000, -0.0000108300000000 ] - [ 0.0001846700000000, -0.0002070800000000, 0.0002604800000000 ] - [ -0.0003418500000000, 0.0002476700000000, 0.0000987200000000 ] - [ -0.0001127300000000, 0.0001304200000000, 0.0000870600000000 ] - [ 0.0001220400000000, -0.0003832600000000, 0.0000340200000000 ] - [ -0.0000605200000000, -0.0000362600000000, 0.0000332200000000 ] - [ 0.0063488700000000, 0.0341827800000000, 0.0102972700000000 ] - [ 0.0000792400000000, 0.0001380400000000, -0.0001530800000000 ] - [ -0.0000192300000000, 0.0000744800000000, 0.0000217100000000 ] - [ 0.0014487200000000, -0.0028634200000000, -0.0019371800000000 ] - [ -0.0000478200000000, -0.0003666200000000, -0.0000655600000000 ] - [ 0.0006805400000000, -0.0009409800000000, 0.0004318700000000 ] - [ -0.0001318500000000, 0.0000945000000000, -0.0000053600000000 ] - [ -0.0000275200000000, 0.0004112900000000, -0.0000711100000000 ] - [ -0.0004091700000000, 0.0000891200000000, -0.0003135000000000 ] - [ -0.0001852800000000, 0.0000894000000000, 0.0003768500000000 ] - [ -0.0000475600000000, 0.0003496100000000, -0.0001706800000000 ] - [ 0.0000265600000000, 0.0004894000000000, -0.0005872100000000 ] - [ 0.0006110100000000, -0.0004903400000000, 0.0000983100000000 ] - [ -0.0000588900000000, -0.0001886200000000, -0.0006013500000000 ] - [ -0.0000834400000000, 0.0001460700000000, 0.0000530400000000 ] - [ 0.0000763900000000, 0.0000310000000000, -0.0000292400000000 ] - [ 0.0001298900000000, -0.0000416000000000, 0.0000731900000000 ] - [ 0.0000906800000000, 0.0002564100000000, 0.0002282000000000 ] - [ -0.0001500800000000, -0.0008891500000000, -0.0000839800000000 ] - [ 0.0001141600000000, -0.0002514900000000, -0.0001501800000000 ] - [ -0.0000822000000000, 0.0000694800000000, 0.0000622000000000 ] - [ 0.0006081400000000, 0.0005128000000000, -0.0001663000000000 ] - [ -0.0002297600000000, 0.0004603600000000, 0.0000288800000000 ] - [ -0.0000644400000000, 0.0000408100000000, -0.0000408000000000 ] - [ -0.0000277300000000, -0.0000736300000000, -0.0001289200000000 ] - [ -0.0000046000000000, -0.0038344000000000, -0.0017469600000000 ] - [ 0.0002711100000000, 0.0006665000000000, 0.0003382400000000 ] - [ -0.0002885500000000, 0.0003134400000000, 0.0003477400000000 ] - [ -0.0008449500000000, -0.0049567400000000, -0.0017743900000000 ] - [ -0.0002332800000000, 0.0002701600000000, 0.0003015500000000 ] - [ 0.0004605400000000, -0.0007223000000000, -0.0002132500000000 ] - [ -0.0008436500000000, -0.0081291300000000, -0.0018497700000000 ]- atom: 57 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ -0.0008785100000000, 0.0007579500000000, 0.0018645400000000 ] - [ 0.0004889800000000, 0.0005917600000000, -0.0002408700000000 ] - [ -0.0012303400000000, -0.0005385400000000, 0.0001092600000000 ] - [ -0.0001370000000000, -0.0000808000000000, 0.0000276400000000 ] - [ -0.0000007300000000, -0.0001375800000000, 0.0002864500000000 ] - [ -0.0001973700000000, -0.0005829000000000, -0.0005573600000000 ] - [ -0.0000769700000000, -0.0001064000000000, 0.0001178700000000 ] - [ -0.0025130100000000, 0.0001924000000000, 0.0014467600000000 ] - [ -0.0000185000000000, -0.0003739600000000, -0.0000173800000000 ] - [ 0.0005968900000000, 0.0005023300000000, 0.0001838800000000 ] - [ -0.0000649500000000, 0.0000256300000000, 0.0002443800000000 ] - [ 0.0000857700000000, 0.0002929800000000, 0.0000381800000000 ] - [ -0.0000367800000000, -0.0000329600000000, 0.0002091400000000 ] - [ -0.0002076500000000, 0.0001427300000000, 0.0000823100000000 ] - [ -0.0001147800000000, -0.0001707800000000, 0.0002468500000000 ] - [ 0.0000672500000000, 0.0001819300000000, 0.0000483900000000 ] - [ -0.0000231900000000, -0.0001935700000000, 0.0000886300000000 ] - [ -0.0001311100000000, 0.0002073400000000, -0.0000202600000000 ] - [ -0.0000686200000000, 0.0000146000000000, 0.0003276700000000 ] - [ 0.0000538000000000, -0.0000012900000000, 0.0002456400000000 ] - [ -0.0000846000000000, -0.0000079500000000, 0.0001003400000000 ] - [ -0.0001209000000000, 0.0000215900000000, -0.0000119500000000 ] - [ -0.0002206200000000, -0.0001712200000000, 0.0000205700000000 ] - [ -0.0002789400000000, 0.0001341200000000, 0.0000388100000000 ] - [ -0.0000981100000000, -0.0001527000000000, -0.0000077500000000 ] - [ -0.0000117900000000, 0.0000528000000000, -0.0001917200000000 ] - [ -0.0000731500000000, -0.0001230400000000, 0.0001078100000000 ] - [ -0.0000717000000000, 0.0001214500000000, -0.0001154600000000 ] - [ 0.0000534700000000, 0.0000750800000000, -0.0000158200000000 ] - [ 0.0000975700000000, -0.0000749800000000, -0.0001923500000000 ] - [ -0.0000231500000000, -0.0000524400000000, 0.0001173200000000 ] - [ 0.0023416100000000, 0.0008975900000000, -0.0005752000000000 ] - [ 0.0001051200000000, -0.0000172900000000, 0.0000107400000000 ] - [ -0.0011609800000000, 0.0000264500000000, 0.0005787700000000 ] - [ 0.0000949100000000, 0.0000511000000000, 0.0001340900000000 ] - [ 0.0000779500000000, -0.0001116300000000, 0.0000553800000000 ] - [ -0.0000316700000000, -0.0000195200000000, -0.0000846800000000 ] - [ 0.0001264900000000, -0.0003552100000000, -0.0004897000000000 ] - [ -0.0011812000000000, -0.0007738800000000, 0.0012284500000000 ] - [ 0.0000252700000000, -0.0000606000000000, 0.0000063100000000 ] - [ -0.0000564100000000, -0.0000207100000000, 0.0000438500000000 ] - [ 0.0005511400000000, 0.0009156800000000, 0.0010675800000000 ] - [ 0.0004492300000000, -0.0001221300000000, 0.0002205200000000 ] - [ 0.0000414700000000, 0.0004397200000000, -0.0004196800000000 ] - [ -0.0013674600000000, -0.0005084000000000, 0.0057862400000000 ] - [ 0.0007304500000000, 0.0044294600000000, 0.0047850600000000 ] - [ 0.0000890300000000, 0.0003372600000000, -0.0000996400000000 ] - [ 0.0000359400000000, -0.0001628600000000, -0.0000197700000000 ] - [ 0.0002544000000000, 0.0000580600000000, 0.0002483700000000 ] - [ 0.0000929300000000, 0.0002120000000000, -0.0001904400000000 ] - [ 0.0000458500000000, 0.0000816100000000, 0.0002568400000000 ] - [ 0.0001248100000000, 0.0002166400000000, -0.0001569400000000 ] - [ -0.0001303800000000, 0.0000210900000000, 0.0001932800000000 ] - [ -0.0003063600000000, 0.0000316900000000, -0.0000378900000000 ] - [ -0.0000559800000000, -0.0000932300000000, -0.0000824500000000 ] - [ 0.0001200200000000, 0.0000620800000000, 0.0001911300000000 ] - [ 0.0073838000000000, -0.0103164800000000, -0.0332722300000000 ] - [ 0.0001061800000000, -0.0001117600000000, 0.0002979600000000 ] - [ -0.0000664600000000, 0.0002150100000000, 0.0002214100000000 ] - [ -0.0004264700000000, 0.0009378800000000, 0.0001945400000000 ] - [ 0.0000553400000000, -0.0001832300000000, -0.0004881400000000 ] - [ 0.0005508900000000, -0.0004630500000000, 0.0009705100000000 ] - [ -0.0000755400000000, -0.0001542000000000, -0.0002190100000000 ] - [ -0.0001692500000000, -0.0000620400000000, 0.0001451800000000 ] - [ -0.0000784200000000, 0.0002691700000000, -0.0003282600000000 ] - [ -0.0001011600000000, -0.0005338200000000, 0.0001979900000000 ] - [ -0.0002662900000000, 0.0002707900000000, 0.0000421200000000 ] - [ -0.0000259600000000, 0.0003569000000000, 0.0008761600000000 ] - [ 0.0001221200000000, 0.0002794800000000, -0.0004408800000000 ] - [ 0.0004050500000000, 0.0001169900000000, -0.0002276100000000 ] - [ -0.0000172400000000, -0.0000579100000000, -0.0001572900000000 ] - [ 0.0000889500000000, -0.0000354600000000, -0.0000205100000000 ] - [ 0.0001024700000000, -0.0000403800000000, -0.0001972600000000 ] - [ -0.0001834100000000, -0.0004393600000000, 0.0007829600000000 ] - [ 0.0005874200000000, 0.0001032200000000, -0.0004478300000000 ] - [ 0.0000885600000000, 0.0000793800000000, -0.0000864100000000 ] - [ -0.0000892600000000, -0.0001868600000000, 0.0000011200000000 ] - [ -0.0004640500000000, 0.0003499000000000, 0.0001581300000000 ] - [ 0.0003656400000000, 0.0002260000000000, -0.0004284500000000 ] - [ -0.0000494100000000, -0.0000196900000000, 0.0002249800000000 ] - [ -0.0000136100000000, 0.0000451100000000, -0.0001871700000000 ] - [ 0.0000759900000000, 0.0015610100000000, 0.0033296600000000 ] - [ 0.0000972300000000, 0.0001075600000000, -0.0002090300000000 ] - [ -0.0005236600000000, -0.0001391800000000, -0.0004151700000000 ] - [ -0.0018985000000000, 0.0018854100000000, 0.0089727400000000 ] - [ -0.0003360800000000, -0.0007102600000000, -0.0002176000000000 ] - [ 0.0002934700000000, -0.0003977500000000, -0.0007307900000000 ] - [ -0.0013158000000000, 0.0009990800000000, 0.0044265100000000 ]- atom: 57 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0010114900000000, -0.0007679800000000, -0.0019792900000000 ] - [ -0.0003425600000000, -0.0005584600000000, 0.0001106500000000 ] - [ 0.0009649500000000, 0.0007102800000000, -0.0000331400000000 ] - [ -0.0001216700000000, -0.0000920900000000, 0.0000407400000000 ] - [ 0.0001222300000000, -0.0001941700000000, -0.0003147600000000 ] - [ 0.0003183400000000, 0.0009167700000000, 0.0005299300000000 ] - [ -0.0001008600000000, -0.0000623200000000, -0.0001037100000000 ] - [ 0.0023098700000000, -0.0000201600000000, -0.0014196000000000 ] - [ 0.0001596200000000, -0.0002021700000000, -0.0001032900000000 ] - [ -0.0004525700000000, 0.0000738700000000, -0.0003020000000000 ] - [ 0.0001164300000000, -0.0002975600000000, 0.0000038400000000 ] - [ -0.0000334100000000, -0.0000184400000000, 0.0002090800000000 ] - [ -0.0000717300000000, -0.0001372600000000, 0.0000955000000000 ] - [ 0.0000973900000000, 0.0000285400000000, 0.0002215700000000 ] - [ 0.0001889800000000, -0.0001875100000000, -0.0000776400000000 ] - [ 0.0000061300000000, 0.0001768500000000, 0.0001201500000000 ] - [ -0.0000054100000000, -0.0002119400000000, 0.0000454300000000 ] - [ 0.0001027700000000, 0.0001981600000000, 0.0001542100000000 ] - [ 0.0001993600000000, -0.0000177000000000, 0.0001606500000000 ] - [ 0.0000770900000000, 0.0000043000000000, 0.0002425400000000 ] - [ -0.0000875600000000, 0.0000318500000000, 0.0000443700000000 ] - [ -0.0000512600000000, -0.0000463300000000, 0.0001566900000000 ] - [ -0.0001792300000000, -0.0002326500000000, 0.0000160300000000 ] - [ -0.0001205200000000, 0.0002703600000000, -0.0000020500000000 ] - [ 0.0000664600000000, -0.0000086400000000, -0.0002595000000000 ] - [ -0.0000193200000000, 0.0001079100000000, -0.0000768000000000 ] - [ -0.0000924400000000, -0.0001026300000000, -0.0000454200000000 ] - [ -0.0000943600000000, 0.0001042200000000, 0.0001771900000000 ] - [ 0.0000780200000000, 0.0000184300000000, -0.0002963600000000 ] - [ 0.0000338100000000, -0.0000186600000000, -0.0001202900000000 ] - [ -0.0000363600000000, -0.0001211300000000, -0.0000799100000000 ] - [ -0.0024062900000000, -0.0007314100000000, 0.0006092600000000 ] - [ -0.0001098200000000, 0.0002321100000000, -0.0001311400000000 ] - [ 0.0011660100000000, -0.0002423600000000, -0.0007033900000000 ] - [ 0.0000032400000000, 0.0002154300000000, -0.0000035900000000 ] - [ 0.0000202500000000, -0.0001548100000000, 0.0000746400000000 ] - [ -0.0000373500000000, 0.0000126400000000, -0.0001418500000000 ] - [ -0.0002035800000000, 0.0003518200000000, 0.0002626600000000 ] - [ 0.0010699700000000, 0.0007293000000000, -0.0013123200000000 ] - [ -0.0001617100000000, 0.0001197100000000, -0.0000688400000000 ] - [ -0.0000189500000000, -0.0000531100000000, -0.0000732500000000 ] - [ -0.0006177600000000, -0.0008277000000000, -0.0010798000000000 ] - [ 0.0000582800000000, 0.0000510600000000, -0.0002157500000000 ] - [ 0.0004657900000000, -0.0003407100000000, 0.0004319700000000 ] - [ 0.0013459600000000, 0.0005841500000000, -0.0058163300000000 ] - [ -0.0007437100000000, -0.0046295300000000, -0.0050537100000000 ] - [ -0.0000044900000000, 0.0000762900000000, -0.0000265500000000 ] - [ 0.0000483200000000, -0.0002488400000000, -0.0001053600000000 ] - [ 0.0000287900000000, -0.0002654500000000, -0.0003230000000000 ] - [ 0.0001900500000000, -0.0000034300000000, 0.0001140800000000 ] - [ 0.0002716100000000, -0.0001049600000000, -0.0000940500000000 ] - [ 0.0001922200000000, -0.0001909500000000, 0.0003180900000000 ] - [ -0.0001449800000000, -0.0000926200000000, 0.0000324300000000 ] - [ 0.0000282700000000, 0.0000387500000000, 0.0002623800000000 ] - [ -0.0000556000000000, -0.0000087600000000, 0.0000914100000000 ] - [ -0.0002294000000000, 0.0000414400000000, -0.0001814600000000 ] - [ -0.0070756100000000, 0.0101737800000000, 0.0327574800000000 ] - [ 0.0000315100000000, 0.0001741900000000, -0.0003161200000000 ] - [ -0.0000395300000000, 0.0000919500000000, 0.0000124200000000 ] - [ 0.0003236700000000, -0.0012465300000000, 0.0000289200000000 ] - [ 0.0001154500000000, -0.0001272500000000, 0.0002740500000000 ] - [ -0.0003472800000000, 0.0007415100000000, -0.0011593000000000 ] - [ 0.0000347800000000, -0.0000456300000000, 0.0000725500000000 ] - [ 0.0001276300000000, 0.0002618700000000, -0.0002907000000000 ] - [ -0.0002534900000000, -0.0000569400000000, -0.0000481400000000 ] - [ -0.0002337500000000, 0.0003178000000000, -0.0005714900000000 ] - [ 0.0000757100000000, -0.0001066300000000, -0.0000679200000000 ] - [ -0.0001644200000000, -0.0005241600000000, -0.0009063100000000 ] - [ -0.0000531900000000, -0.0001364900000000, 0.0003172200000000 ] - [ -0.0003397500000000, -0.0002605900000000, 0.0001028700000000 ] - [ 0.0000468800000000, 0.0000930500000000, 0.0000921900000000 ] - [ -0.0000621200000000, -0.0000010100000000, -0.0000483700000000 ] - [ 0.0000919400000000, 0.0000094700000000, 0.0002274600000000 ] - [ 0.0003858700000000, 0.0004751300000000, -0.0007546800000000 ] - [ -0.0002701100000000, -0.0000424300000000, 0.0002557500000000 ] - [ 0.0002279300000000, -0.0001415700000000, -0.0001073800000000 ] - [ -0.0001049500000000, -0.0000684500000000, 0.0001015900000000 ] - [ 0.0002735300000000, -0.0000940000000000, -0.0000545400000000 ] - [ -0.0003605000000000, -0.0000662400000000, 0.0004906500000000 ] - [ 0.0000632600000000, -0.0001399700000000, -0.0001579100000000 ] - [ 0.0001716000000000, -0.0001449700000000, 0.0000824800000000 ] - [ 0.0001437200000000, -0.0014410400000000, -0.0034771000000000 ] - [ -0.0003070600000000, -0.0000476700000000, 0.0002573900000000 ] - [ 0.0003159100000000, 0.0000764800000000, 0.0004666500000000 ] - [ 0.0016408800000000, -0.0018695300000000, -0.0084253600000000 ] - [ 0.0002818200000000, 0.0009043000000000, 0.0002850500000000 ] - [ -0.0002622400000000, 0.0003511500000000, 0.0008785000000000 ] - [ 0.0013231000000000, -0.0010113600000000, -0.0042992400000000 ]- atom: 59 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000415800000000, 0.0000258900000000, -0.0000330000000000 ] - [ -0.0006587000000000, 0.0001298800000000, -0.0002350500000000 ] - [ -0.0001379700000000, 0.0000811700000000, 0.0000299900000000 ] - [ -0.0001396500000000, -0.0001062200000000, 0.0000560600000000 ] - [ 0.0000552100000000, -0.0002525300000000, 0.0001017400000000 ] - [ 0.0000922600000000, 0.0001644700000000, -0.0001304100000000 ] - [ 0.0008045200000000, -0.0022656300000000, -0.0014412600000000 ] - [ -0.0000959000000000, 0.0000618500000000, -0.0000296400000000 ] - [ 0.0000659600000000, -0.0003160900000000, -0.0000535300000000 ] - [ 0.0000657000000000, 0.0001883400000000, -0.0001938300000000 ] - [ 0.0021800000000000, 0.0029631100000000, 0.0023822400000000 ] - [ 0.0010060100000000, 0.0005901800000000, -0.0012700100000000 ] - [ 0.0041024200000000, -0.0018356900000000, -0.0033333600000000 ] - [ -0.0000369800000000, 0.0000824600000000, 0.0001606200000000 ] - [ 0.0000245300000000, -0.0002001900000000, 0.0000936900000000 ] - [ -0.0000029300000000, 0.0001090700000000, -0.0000644400000000 ] - [ 0.0002848600000000, -0.0003755500000000, 0.0000970900000000 ] - [ 0.0000336800000000, 0.0002243400000000, 0.0000603300000000 ] - [ 0.0001336500000000, 0.0000227800000000, 0.0002285700000000 ] - [ 0.0000928600000000, 0.0000282800000000, 0.0002063900000000 ] - [ -0.0000780000000000, 0.0000497600000000, 0.0000770300000000 ] - [ -0.0000707000000000, -0.0000254000000000, 0.0000727400000000 ] - [ -0.0001621700000000, -0.0002621600000000, -0.0000000100000000 ] - [ -0.0001150600000000, 0.0002730700000000, 0.0000175000000000 ] - [ 0.0000077400000000, -0.0000874000000000, -0.0001073000000000 ] - [ 0.0000029600000000, 0.0000508400000000, -0.0001987500000000 ] - [ -0.0000791900000000, -0.0001129900000000, 0.0000591900000000 ] - [ -0.0000733600000000, 0.0001163000000000, 0.0000241000000000 ] - [ 0.0000783900000000, 0.0000390800000000, -0.0001413800000000 ] - [ 0.0000572200000000, -0.0000300400000000, -0.0001859200000000 ] - [ -0.0000180600000000, -0.0000834000000000, 0.0000201300000000 ] - [ -0.0000271300000000, 0.0000912600000000, 0.0000043400000000 ] - [ -0.0000141700000000, 0.0001749300000000, -0.0001045900000000 ] - [ 0.0000179200000000, -0.0000893100000000, -0.0000522500000000 ] - [ 0.0001524100000000, 0.0000204000000000, 0.0001515700000000 ] - [ 0.0000331900000000, -0.0001425100000000, 0.0000357100000000 ] - [ 0.0022547300000000, 0.0004021500000000, -0.0012399700000000 ] - [ -0.0000051400000000, -0.0000205500000000, -0.0001261200000000 ] - [ -0.0000657800000000, -0.0000473300000000, -0.0000228900000000 ] - [ -0.0001034700000000, 0.0000429800000000, -0.0000655500000000 ] - [ 0.0023864600000000, 0.0018990700000000, 0.0033968400000000 ] - [ -0.0000261200000000, 0.0000393000000000, -0.0000359000000000 ] - [ 0.0002295100000000, 0.0000051100000000, -0.0000160000000000 ] - [ 0.0001531900000000, 0.0000472100000000, 0.0000881000000000 ] - [ 0.0000051600000000, 0.0000419900000000, -0.0001027300000000 ] - [ 0.0002479800000000, -0.0000132700000000, 0.0004581600000000 ] - [ 0.0001953300000000, 0.0001551000000000, -0.0002447600000000 ] - [ -0.0001718500000000, 0.0001138400000000, 0.0017739700000000 ] - [ 0.0001280200000000, -0.0016297500000000, -0.0003348800000000 ] - [ 0.0000933800000000, 0.0001816500000000, 0.0000550200000000 ] - [ 0.0007310300000000, 0.0008333800000000, -0.0002767200000000 ] - [ 0.0002057800000000, 0.0000632900000000, -0.0000865300000000 ] - [ -0.0000763000000000, -0.0000470000000000, 0.0001336300000000 ] - [ -0.0001405900000000, 0.0000507300000000, 0.0000896800000000 ] - [ -0.0000873900000000, -0.0000425100000000, 0.0000052100000000 ] - [ -0.0000257200000000, -0.0000107500000000, -0.0000161900000000 ] - [ 0.0000554600000000, -0.0000678300000000, -0.0000211100000000 ] - [ 0.0004822600000000, 0.0015614900000000, -0.0003838100000000 ] - [ -0.0308585600000000, -0.0096802600000000, 0.0008223400000000 ] - [ 0.0000045600000000, -0.0001420200000000, 0.0000677900000000 ] - [ 0.0001115400000000, -0.0001855900000000, -0.0001361600000000 ] - [ 0.0001082500000000, 0.0001521600000000, -0.0000678100000000 ] - [ 0.0065244500000000, -0.0031097500000000, 0.0021338100000000 ] - [ 0.0000098000000000, 0.0000892600000000, -0.0000776500000000 ] - [ 0.0041367400000000, 0.0010685200000000, -0.0074571400000000 ] - [ -0.0003849800000000, -0.0000073900000000, 0.0001027100000000 ] - [ -0.0000064200000000, 0.0004650500000000, -0.0002614700000000 ] - [ -0.0003917200000000, -0.0004410700000000, -0.0002412500000000 ] - [ 0.0007923100000000, -0.0001530700000000, 0.0003598800000000 ] - [ 0.0000429100000000, -0.0000247800000000, -0.0000605700000000 ] - [ -0.0001726700000000, -0.0000292600000000, -0.0000390200000000 ] - [ 0.0000315600000000, 0.0000178400000000, 0.0001831900000000 ] - [ 0.0001716500000000, -0.0000869800000000, -0.0001554500000000 ] - [ 0.0000777700000000, 0.0000035800000000, 0.0000706500000000 ] - [ 0.0000843300000000, 0.0000748300000000, -0.0000684200000000 ] - [ 0.0001465600000000, -0.0000607000000000, -0.0000774800000000 ] - [ -0.0001897400000000, 0.0000861000000000, 0.0000086300000000 ] - [ -0.0002187400000000, 0.0001385500000000, 0.0000152700000000 ] - [ -0.0000279200000000, 0.0001789100000000, -0.0000193200000000 ] - [ 0.0000179500000000, -0.0000620300000000, 0.0000905100000000 ] - [ 0.0001511100000000, -0.0002805600000000, 0.0000622000000000 ] - [ 0.0001167500000000, 0.0000478300000000, -0.0000606400000000 ] - [ 0.0009944700000000, -0.0006512200000000, -0.0004367200000000 ] - [ -0.0000696800000000, -0.0001333100000000, 0.0001948400000000 ] - [ -0.0000437500000000, -0.0001033800000000, 0.0001233000000000 ] - [ 0.0049450000000000, 0.0097331400000000, 0.0049321700000000 ] - [ 0.0001614700000000, -0.0000526600000000, 0.0000276400000000 ] - [ -0.0003540400000000, 0.0002876300000000, 0.0006324100000000 ]- atom: 59 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000967100000000, -0.0000463400000000, -0.0001023500000000 ] - [ 0.0007989700000000, -0.0001113700000000, 0.0000973700000000 ] - [ -0.0001189800000000, 0.0000909600000000, 0.0000408000000000 ] - [ -0.0001179700000000, -0.0000654800000000, 0.0000147300000000 ] - [ 0.0000666600000000, -0.0000894900000000, -0.0001246000000000 ] - [ 0.0000290100000000, 0.0001760000000000, 0.0001045800000000 ] - [ -0.0009775000000000, 0.0021137100000000, 0.0014541500000000 ] - [ -0.0000824600000000, 0.0001039000000000, 0.0000391000000000 ] - [ 0.0000704900000000, -0.0002631600000000, -0.0000664100000000 ] - [ 0.0000711100000000, 0.0003892000000000, 0.0000729100000000 ] - [ -0.0021509600000000, -0.0032888400000000, -0.0021749200000000 ] - [ -0.0009540500000000, -0.0003071200000000, 0.0015001200000000 ] - [ -0.0043073500000000, 0.0016846100000000, 0.0037159700000000 ] - [ -0.0000731300000000, 0.0000900600000000, 0.0001392100000000 ] - [ 0.0000459600000000, -0.0001598100000000, 0.0000805700000000 ] - [ 0.0000757100000000, 0.0002515900000000, 0.0002385700000000 ] - [ -0.0003249100000000, -0.0000217100000000, 0.0000371400000000 ] - [ -0.0000546900000000, 0.0001820700000000, 0.0000807300000000 ] - [ 0.0000010900000000, -0.0000302200000000, 0.0002540400000000 ] - [ 0.0000413000000000, -0.0000217500000000, 0.0002765300000000 ] - [ -0.0000894500000000, -0.0000227000000000, 0.0000698800000000 ] - [ -0.0000973500000000, -0.0000015800000000, 0.0000738700000000 ] - [ -0.0002313500000000, -0.0001454100000000, 0.0000371800000000 ] - [ -0.0002793500000000, 0.0001342700000000, 0.0000200900000000 ] - [ -0.0000367200000000, -0.0000701900000000, -0.0001645400000000 ] - [ -0.0000325800000000, 0.0001076600000000, -0.0000716800000000 ] - [ -0.0000856100000000, -0.0001192300000000, 0.0000068900000000 ] - [ -0.0000917500000000, 0.0001160700000000, 0.0000416000000000 ] - [ 0.0000476700000000, 0.0000462500000000, -0.0001721000000000 ] - [ 0.0000696400000000, -0.0000562100000000, -0.0001271300000000 ] - [ -0.0000468400000000, -0.0000835500000000, 0.0000174000000000 ] - [ -0.0000381800000000, 0.0000747400000000, 0.0000329300000000 ] - [ 0.0000010100000000, 0.0000434100000000, -0.0000217600000000 ] - [ -0.0000316700000000, -0.0001274800000000, -0.0000730800000000 ] - [ -0.0000600600000000, 0.0002466600000000, -0.0000249800000000 ] - [ 0.0000591300000000, -0.0001248000000000, 0.0000906400000000 ] - [ -0.0022649300000000, -0.0004028000000000, 0.0009879800000000 ] - [ -0.0000651500000000, 0.0000291200000000, -0.0000953800000000 ] - [ -0.0000717200000000, -0.0000173000000000, -0.0000472200000000 ] - [ -0.0000342000000000, 0.0000212400000000, -0.0000063400000000 ] - [ -0.0024143000000000, -0.0019404200000000, -0.0033866400000000 ] - [ -0.0000510000000000, 0.0000388500000000, -0.0000005200000000 ] - [ 0.0002751700000000, -0.0000759700000000, 0.0000228700000000 ] - [ 0.0003514000000000, 0.0000250400000000, -0.0000803200000000 ] - [ 0.0000043900000000, 0.0000554000000000, -0.0000554100000000 ] - [ -0.0002478600000000, -0.0001088700000000, -0.0006192300000000 ] - [ -0.0001009500000000, 0.0002607900000000, 0.0001114600000000 ] - [ 0.0002596100000000, -0.0005382000000000, -0.0019033500000000 ] - [ 0.0001538500000000, 0.0014245700000000, 0.0002573700000000 ] - [ 0.0001936400000000, 0.0000193300000000, -0.0001294400000000 ] - [ -0.0004213100000000, -0.0008616600000000, 0.0004422500000000 ] - [ 0.0001076100000000, -0.0000419600000000, 0.0002457800000000 ] - [ -0.0001957200000000, -0.0000203500000000, 0.0000888500000000 ] - [ -0.0001329400000000, 0.0000161700000000, 0.0001318700000000 ] - [ -0.0000277000000000, -0.0000636100000000, 0.0000078300000000 ] - [ -0.0000891500000000, 0.0001171400000000, 0.0000288200000000 ] - [ 0.0000854100000000, -0.0000005400000000, 0.0000055800000000 ] - [ -0.0003421700000000, -0.0014796700000000, 0.0003658200000000 ] - [ 0.0306107500000000, 0.0101156000000000, -0.0007263400000000 ] - [ -0.0001068500000000, -0.0001616800000000, 0.0001664300000000 ] - [ 0.0000571100000000, -0.0001267200000000, -0.0000789900000000 ] - [ 0.0000593600000000, 0.0001599500000000, -0.0001462600000000 ] - [ -0.0063404300000000, 0.0027757400000000, -0.0022031600000000 ] - [ -0.0000477400000000, 0.0001140100000000, -0.0000660600000000 ] - [ -0.0044315100000000, -0.0008865600000000, 0.0071195000000000 ] - [ 0.0000396200000000, -0.0002049900000000, -0.0004780300000000 ] - [ -0.0001851400000000, -0.0003008000000000, 0.0002289800000000 ] - [ 0.0002007200000000, 0.0002899100000000, 0.0002223100000000 ] - [ -0.0007326400000000, 0.0002934800000000, -0.0004772300000000 ] - [ 0.0000265000000000, -0.0001205200000000, -0.0000634700000000 ] - [ 0.0002060100000000, 0.0000651700000000, -0.0000286100000000 ] - [ -0.0000007700000000, -0.0000558300000000, -0.0002556800000000 ] - [ 0.0000237300000000, 0.0000599800000000, 0.0001882300000000 ] - [ 0.0001220700000000, 0.0000240200000000, -0.0000388300000000 ] - [ 0.0002387000000000, -0.0000162600000000, -0.0001241200000000 ] - [ 0.0001763700000000, 0.0000028700000000, -0.0001170500000000 ] - [ 0.0000002200000000, -0.0003429300000000, 0.0000956600000000 ] - [ 0.0000258800000000, 0.0001200800000000, 0.0000885100000000 ] - [ 0.0000379800000000, -0.0000159200000000, 0.0000806000000000 ] - [ -0.0000048500000000, -0.0001007100000000, -0.0000310300000000 ] - [ 0.0000080600000000, 0.0001842500000000, -0.0001614400000000 ] - [ 0.0000424800000000, 0.0000474000000000, -0.0000395700000000 ] - [ -0.0011937600000000, 0.0007235200000000, 0.0004880900000000 ] - [ -0.0001325800000000, 0.0000688900000000, -0.0001377600000000 ] - [ -0.0000199300000000, -0.0000940400000000, -0.0000451000000000 ] - [ -0.0050909500000000, -0.0095357800000000, -0.0048784100000000 ] - [ -0.0001344400000000, 0.0000162800000000, 0.0001135700000000 ] - [ 0.0003824700000000, -0.0002494600000000, -0.0004807700000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000524300000000, 0.0000446500000000, -0.0000453900000000 ] - [ 0.0002059300000000, -0.0000883100000000, 0.0005770500000000 ] - [ -0.0001165100000000, 0.0000632500000000, 0.0000350500000000 ] - [ -0.0001258400000000, -0.0000712900000000, 0.0000239200000000 ] - [ 0.0000741000000000, -0.0000141900000000, -0.0000709100000000 ] - [ 0.0000805900000000, 0.0003433300000000, 0.0001957000000000 ] - [ -0.0030743500000000, 0.0043907700000000, 0.0016265400000000 ] - [ -0.0000862600000000, 0.0001011100000000, 0.0000367300000000 ] - [ 0.0000689100000000, -0.0002896200000000, -0.0000732400000000 ] - [ 0.0000556000000000, 0.0002073700000000, 0.0000402200000000 ] - [ 0.0028683400000000, 0.0036344400000000, 0.0031251300000000 ] - [ -0.0004771000000000, -0.0006697400000000, -0.0001253700000000 ] - [ -0.0000908100000000, 0.0000180800000000, 0.0002766500000000 ] - [ -0.0000087500000000, 0.0001223600000000, 0.0002048000000000 ] - [ 0.0001006000000000, -0.0001429600000000, 0.0000690400000000 ] - [ -0.0000171700000000, 0.0001723000000000, 0.0001713200000000 ] - [ 0.0000174200000000, -0.0001496200000000, 0.0001196300000000 ] - [ 0.0000064400000000, 0.0002178200000000, 0.0000479200000000 ] - [ 0.0001251000000000, 0.0000726300000000, 0.0002392800000000 ] - [ 0.0000520200000000, -0.0000149200000000, 0.0002688400000000 ] - [ -0.0000889300000000, -0.0000184500000000, 0.0000587500000000 ] - [ -0.0000917700000000, 0.0000198300000000, 0.0000717200000000 ] - [ -0.0002528900000000, -0.0001447100000000, 0.0000296800000000 ] - [ -0.0002192900000000, 0.0001725400000000, 0.0000089200000000 ] - [ -0.0000137400000000, -0.0000655000000000, -0.0001482500000000 ] - [ -0.0000262600000000, 0.0001093300000000, -0.0000685200000000 ] - [ -0.0000956500000000, -0.0001216500000000, 0.0000085400000000 ] - [ -0.0000880500000000, 0.0001151600000000, 0.0000292700000000 ] - [ 0.0000695700000000, 0.0000687100000000, -0.0001608600000000 ] - [ 0.0000743700000000, -0.0000591400000000, -0.0001272100000000 ] - [ 0.0000084800000000, -0.0001565500000000, -0.0000706900000000 ] - [ -0.0000162300000000, 0.0001036300000000, 0.0000225800000000 ] - [ 0.0000369600000000, 0.0000420000000000, -0.0000546400000000 ] - [ 0.0000677800000000, -0.0000180600000000, -0.0000361200000000 ] - [ -0.0000350200000000, 0.0002034100000000, -0.0000022600000000 ] - [ 0.0000506200000000, -0.0001261700000000, 0.0001051900000000 ] - [ -0.0002507100000000, -0.0003845700000000, 0.0001258600000000 ] - [ -0.0000690400000000, 0.0000416600000000, -0.0001013000000000 ] - [ -0.0000077600000000, 0.0000324900000000, -0.0000115400000000 ] - [ -0.0000647600000000, 0.0000179300000000, 0.0000039700000000 ] - [ 0.0018213500000000, -0.0003554600000000, 0.0008317700000000 ] - [ -0.0000849800000000, 0.0000678900000000, 0.0000386700000000 ] - [ 0.0002018200000000, 0.0001791400000000, -0.0000031000000000 ] - [ 0.0002377200000000, -0.0000554200000000, -0.0000159300000000 ] - [ -0.0000141900000000, 0.0000814000000000, -0.0000847300000000 ] - [ 0.0015001700000000, 0.0038263900000000, 0.0006149600000000 ] - [ 0.0001428000000000, 0.0003057200000000, -0.0000649900000000 ] - [ -0.0005997100000000, 0.0000963100000000, -0.0028665800000000 ] - [ -0.0003137400000000, 0.0044055300000000, 0.0012127000000000 ] - [ 0.0001752600000000, 0.0000016200000000, 0.0000065000000000 ] - [ 0.0011671300000000, 0.0012158800000000, -0.0008509200000000 ] - [ 0.0001254500000000, 0.0000082300000000, 0.0001165000000000 ] - [ -0.0001998100000000, 0.0000069000000000, 0.0000704200000000 ] - [ -0.0001380700000000, 0.0000256500000000, 0.0001181200000000 ] - [ -0.0000032000000000, -0.0000793100000000, 0.0000364700000000 ] - [ -0.0001048000000000, 0.0001105400000000, 0.0000295000000000 ] - [ 0.0000985100000000, 0.0000467200000000, 0.0000523600000000 ] - [ 0.0012736200000000, 0.0028029800000000, -0.0011124500000000 ] - [ -0.0101232700000000, -0.0564565400000000, -0.0211733900000000 ] - [ -0.0000625200000000, -0.0001295900000000, 0.0001187900000000 ] - [ -0.0001032600000000, -0.0002219800000000, 0.0000478300000000 ] - [ 0.0000508700000000, 0.0001516300000000, -0.0001590400000000 ] - [ -0.0023571300000000, 0.0007402100000000, -0.0008503000000000 ] - [ -0.0000343200000000, 0.0001345000000000, -0.0000526800000000 ] - [ 0.0017852400000000, 0.0056059800000000, -0.0022307000000000 ] - [ -0.0001317300000000, 0.0001059100000000, -0.0000677200000000 ] - [ -0.0003880100000000, 0.0005068600000000, -0.0000737500000000 ] - [ 0.0000188300000000, -0.0010640900000000, -0.0013329700000000 ] - [ -0.0004846700000000, 0.0005107000000000, 0.0000651500000000 ] - [ 0.0000148600000000, -0.0000720300000000, -0.0000403000000000 ] - [ -0.0002709000000000, 0.0000378500000000, 0.0000501100000000 ] - [ -0.0000086500000000, -0.0001483200000000, -0.0002387500000000 ] - [ -0.0000738200000000, 0.0001426800000000, 0.0002064800000000 ] - [ 0.0001051400000000, -0.0000063500000000, -0.0000090700000000 ] - [ 0.0001267600000000, -0.0000689300000000, -0.0000896700000000 ] - [ 0.0001667700000000, 0.0000033800000000, -0.0001125000000000 ] - [ 0.0001795100000000, -0.0002062400000000, -0.0000245700000000 ] - [ -0.0000131700000000, 0.0001897300000000, 0.0001086400000000 ] - [ 0.0000229500000000, -0.0000069000000000, 0.0000715600000000 ] - [ 0.0000101900000000, -0.0001112300000000, -0.0000462800000000 ] - [ 0.0000343400000000, 0.0003136200000000, -0.0000249000000000 ] - [ 0.0000350500000000, -0.0000726200000000, -0.0001050400000000 ] - [ -0.0003910600000000, 0.0005169900000000, 0.0005884600000000 ] - [ 0.0000717800000000, -0.0001563500000000, -0.0005814700000000 ] - [ 0.0000427000000000, -0.0001457000000000, -0.0000609000000000 ] - [ 0.0077125500000000, 0.0297700300000000, 0.0207183700000000 ] - [ 0.0001958800000000, -0.0001100300000000, 0.0002124500000000 ] - [ -0.0001146200000000, -0.0002232300000000, 0.0005309000000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000896900000000, -0.0000648800000000, -0.0000921600000000 ] - [ -0.0000629300000000, 0.0000918200000000, -0.0007126100000000 ] - [ -0.0001425600000000, 0.0001095200000000, 0.0000335200000000 ] - [ -0.0001330900000000, -0.0001015200000000, 0.0000438800000000 ] - [ 0.0000478500000000, -0.0003194500000000, 0.0000420900000000 ] - [ 0.0000411500000000, -0.0000081700000000, -0.0002234100000000 ] - [ 0.0028347600000000, -0.0044488700000000, -0.0015818800000000 ] - [ -0.0000918900000000, 0.0000674200000000, -0.0000230300000000 ] - [ 0.0000716100000000, -0.0002863700000000, -0.0000474700000000 ] - [ 0.0000844900000000, 0.0003654800000000, -0.0001610500000000 ] - [ -0.0028807100000000, -0.0039757300000000, -0.0029491800000000 ] - [ 0.0005365700000000, 0.0009435600000000, 0.0003501200000000 ] - [ 0.0000001600000000, -0.0001934300000000, 0.0000119800000000 ] - [ -0.0001015900000000, 0.0000476900000000, 0.0000976800000000 ] - [ -0.0000269800000000, -0.0002152500000000, 0.0000995800000000 ] - [ 0.0000897200000000, 0.0001854100000000, -0.0000027100000000 ] - [ -0.0000445700000000, -0.0002566500000000, 0.0000148100000000 ] - [ -0.0000358800000000, 0.0001874400000000, 0.0000862900000000 ] - [ 0.0000044900000000, -0.0000765800000000, 0.0002492000000000 ] - [ 0.0000785700000000, 0.0000178600000000, 0.0002194600000000 ] - [ -0.0000830200000000, 0.0000419300000000, 0.0000858000000000 ] - [ -0.0000801200000000, -0.0000439300000000, 0.0000730200000000 ] - [ -0.0001459900000000, -0.0002592100000000, 0.0000069100000000 ] - [ -0.0001794900000000, 0.0002324100000000, 0.0000276100000000 ] - [ -0.0000171100000000, -0.0000947500000000, -0.0001209300000000 ] - [ -0.0000045400000000, 0.0000515900000000, -0.0001990300000000 ] - [ -0.0000694200000000, -0.0001041100000000, 0.0000534000000000 ] - [ -0.0000772200000000, 0.0001109000000000, 0.0000328700000000 ] - [ 0.0000616600000000, 0.0000246700000000, -0.0001510800000000 ] - [ 0.0000577000000000, -0.0000348000000000, -0.0001840000000000 ] - [ -0.0000686900000000, -0.0000169300000000, 0.0001072500000000 ] - [ -0.0000436000000000, 0.0000693400000000, 0.0000147800000000 ] - [ -0.0000411700000000, 0.0001721900000000, -0.0000658000000000 ] - [ -0.0000724500000000, -0.0001966900000000, -0.0000842900000000 ] - [ 0.0001328700000000, 0.0000635300000000, 0.0001320200000000 ] - [ 0.0000473200000000, -0.0001407900000000, 0.0000250700000000 ] - [ 0.0001731000000000, 0.0003748900000000, -0.0003483100000000 ] - [ 0.0000000000000000, -0.0000344100000000, -0.0001251200000000 ] - [ -0.0001282900000000, -0.0000913800000000, -0.0000503800000000 ] - [ -0.0000711500000000, 0.0000412300000000, -0.0000658800000000 ] - [ -0.0018841400000000, 0.0002730700000000, -0.0008656900000000 ] - [ 0.0000094600000000, 0.0000067200000000, -0.0000690000000000 ] - [ 0.0003063900000000, -0.0002518300000000, 0.0000070300000000 ] - [ 0.0002695800000000, 0.0001259400000000, 0.0000194000000000 ] - [ 0.0000171900000000, 0.0000151400000000, -0.0000691600000000 ] - [ -0.0014956800000000, -0.0038971200000000, -0.0007608700000000 ] - [ -0.0000585300000000, 0.0001073400000000, -0.0000602400000000 ] - [ 0.0006899700000000, -0.0005089700000000, 0.0027536500000000 ] - [ 0.0006293800000000, -0.0047377800000000, -0.0013087800000000 ] - [ 0.0001074900000000, 0.0002050600000000, -0.0000801100000000 ] - [ -0.0008725700000000, -0.0012683700000000, 0.0010315900000000 ] - [ 0.0001912700000000, 0.0000155900000000, 0.0000450200000000 ] - [ -0.0000767200000000, -0.0000784400000000, 0.0001547000000000 ] - [ -0.0001385900000000, 0.0000452300000000, 0.0001074000000000 ] - [ -0.0001066600000000, -0.0000229600000000, -0.0000268500000000 ] - [ -0.0000060700000000, -0.0000069700000000, -0.0000207500000000 ] - [ 0.0000390700000000, -0.0001102200000000, -0.0000709900000000 ] - [ -0.0011087800000000, -0.0026821800000000, 0.0010711500000000 ] - [ 0.0096655900000000, 0.0558368900000000, 0.0207163400000000 ] - [ -0.0000429300000000, -0.0001774900000000, 0.0001138800000000 ] - [ 0.0002738700000000, -0.0000871600000000, -0.0002582100000000 ] - [ 0.0001193700000000, 0.0001584700000000, -0.0000541000000000 ] - [ 0.0023638700000000, -0.0009368700000000, 0.0007195400000000 ] - [ -0.0000069100000000, 0.0000663800000000, -0.0000939400000000 ] - [ -0.0020971600000000, -0.0053452200000000, 0.0017795300000000 ] - [ -0.0002064900000000, -0.0003238400000000, -0.0003115600000000 ] - [ 0.0001947900000000, -0.0003727800000000, 0.0000370100000000 ] - [ -0.0001979700000000, 0.0009134200000000, 0.0013015300000000 ] - [ 0.0005526200000000, -0.0003566500000000, -0.0001841100000000 ] - [ 0.0000557800000000, -0.0000715300000000, -0.0000839100000000 ] - [ 0.0003034300000000, -0.0000051300000000, -0.0001182400000000 ] - [ 0.0000345900000000, 0.0001117100000000, 0.0001669000000000 ] - [ 0.0002671200000000, -0.0001719800000000, -0.0001735300000000 ] - [ 0.0000909300000000, 0.0000374000000000, 0.0000380400000000 ] - [ 0.0001909800000000, 0.0001307300000000, -0.0001033200000000 ] - [ 0.0001502900000000, -0.0000637200000000, -0.0000819100000000 ] - [ -0.0003714200000000, -0.0000490100000000, 0.0001276300000000 ] - [ -0.0001822800000000, 0.0000636200000000, -0.0000070200000000 ] - [ -0.0000118200000000, 0.0001656000000000, -0.0000033200000000 ] - [ 0.0000035600000000, -0.0000487600000000, 0.0001108400000000 ] - [ 0.0001260400000000, -0.0004128600000000, -0.0000814100000000 ] - [ 0.0001233100000000, 0.0001711700000000, -0.0000004100000000 ] - [ 0.0001716100000000, -0.0004574900000000, -0.0005418300000000 ] - [ -0.0002783000000000, 0.0000876100000000, 0.0006363100000000 ] - [ -0.0001045600000000, -0.0000475900000000, 0.0001391400000000 ] - [ -0.0074237700000000, -0.0286228400000000, -0.0198282600000000 ] - [ -0.0001684700000000, 0.0000793300000000, -0.0000705600000000 ] - [ 0.0001430000000000, 0.0002643600000000, -0.0003675500000000 ]- atom: 59 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000741900000000, 0.0000071800000000, -0.0001621300000000 ] - [ -0.0000959600000000, 0.0006698900000000, 0.0009034100000000 ] - [ -0.0001254100000000, 0.0000835300000000, 0.0000425400000000 ] - [ -0.0000737800000000, -0.0000550900000000, -0.0000095700000000 ] - [ 0.0001087700000000, -0.0000358300000000, -0.0001390000000000 ] - [ 0.0000548300000000, 0.0003800400000000, 0.0004716900000000 ] - [ -0.0009498400000000, -0.0000644300000000, -0.0007374500000000 ] - [ -0.0000797400000000, 0.0001176900000000, 0.0001157900000000 ] - [ 0.0000962100000000, -0.0002780200000000, -0.0000575900000000 ] - [ -0.0000070600000000, 0.0003184100000000, -0.0000787100000000 ] - [ 0.0020474300000000, 0.0036338600000000, 0.0023630500000000 ] - [ -0.0027084900000000, -0.0029276200000000, 0.0047656100000000 ] - [ -0.0026294800000000, 0.0009503900000000, 0.0004827400000000 ] - [ 0.0000479000000000, 0.0001169600000000, 0.0002909800000000 ] - [ 0.0001581500000000, -0.0000980300000000, 0.0000536600000000 ] - [ 0.0000232300000000, 0.0002758300000000, 0.0000595200000000 ] - [ 0.0005114100000000, -0.0003636100000000, 0.0002322400000000 ] - [ -0.0000615800000000, 0.0001774600000000, 0.0000693600000000 ] - [ 0.0000849500000000, -0.0000061500000000, 0.0002201900000000 ] - [ 0.0000036900000000, -0.0000250000000000, 0.0003006400000000 ] - [ -0.0000883600000000, -0.0000242600000000, 0.0000599200000000 ] - [ -0.0000917000000000, 0.0000053100000000, 0.0000812100000000 ] - [ -0.0003310000000000, -0.0000558000000000, 0.0000490500000000 ] - [ -0.0002667400000000, 0.0001005500000000, 0.0000053000000000 ] - [ -0.0000121500000000, -0.0000529600000000, -0.0002121800000000 ] - [ -0.0000577300000000, 0.0001535700000000, 0.0000363300000000 ] - [ -0.0001239800000000, -0.0001185700000000, -0.0000635800000000 ] - [ -0.0000771900000000, 0.0001139300000000, 0.0000812600000000 ] - [ 0.0000475500000000, 0.0000338800000000, -0.0002296900000000 ] - [ 0.0000847000000000, -0.0000718700000000, -0.0000587700000000 ] - [ -0.0000386200000000, -0.0001635900000000, -0.0001292600000000 ] - [ -0.0000219200000000, 0.0000661100000000, 0.0000721000000000 ] - [ -0.0000181300000000, 0.0000044300000000, 0.0000078500000000 ] - [ 0.0000749900000000, -0.0000334300000000, -0.0000470900000000 ] - [ 0.0000366700000000, 0.0001282600000000, -0.0000204600000000 ] - [ 0.0000583200000000, -0.0001159100000000, 0.0001743700000000 ] - [ -0.0018644700000000, -0.0003932400000000, 0.0006711000000000 ] - [ 0.0000025000000000, -0.0000270100000000, -0.0001124200000000 ] - [ -0.0000104300000000, 0.0000319700000000, -0.0000627400000000 ] - [ -0.0000483600000000, 0.0000162200000000, 0.0000636000000000 ] - [ 0.0013391600000000, -0.0000627100000000, 0.0010556900000000 ] - [ -0.0001074500000000, 0.0000607200000000, 0.0001246900000000 ] - [ 0.0002236700000000, -0.0001024000000000, 0.0000661500000000 ] - [ 0.0003315600000000, 0.0000806300000000, 0.0001727600000000 ] - [ 0.0000054800000000, 0.0000222600000000, 0.0000131000000000 ] - [ 0.0020936600000000, 0.0037902800000000, -0.0004071500000000 ] - [ 0.0000838100000000, 0.0006048200000000, 0.0003766500000000 ] - [ 0.0021167000000000, -0.0007752600000000, 0.0027310000000000 ] - [ 0.0003811600000000, 0.0011129300000000, 0.0005472600000000 ] - [ 0.0002478400000000, 0.0001235500000000, 0.0000938000000000 ] - [ -0.0000055100000000, -0.0006588700000000, -0.0000561000000000 ] - [ 0.0000464000000000, -0.0000739200000000, 0.0002001600000000 ] - [ -0.0002615300000000, -0.0000212900000000, -0.0000139000000000 ] - [ -0.0001042200000000, 0.0000051400000000, 0.0001683000000000 ] - [ 0.0000745400000000, -0.0000825900000000, 0.0001540100000000 ] - [ -0.0001565700000000, 0.0001393300000000, -0.0000312300000000 ] - [ 0.0000929200000000, 0.0000590000000000, 0.0000958800000000 ] - [ -0.0005984700000000, -0.0020370400000000, 0.0000764700000000 ] - [ 0.0009743400000000, -0.0208914100000000, -0.0716991400000000 ] - [ -0.0001003500000000, -0.0001542400000000, 0.0003407200000000 ] - [ -0.0000708100000000, -0.0001809100000000, 0.0002914100000000 ] - [ 0.0000337200000000, 0.0001385900000000, -0.0002750500000000 ] - [ 0.0033270600000000, -0.0016214500000000, 0.0012054300000000 ] - [ -0.0000579800000000, 0.0001768800000000, -0.0002648900000000 ] - [ -0.0079544400000000, -0.0002279300000000, 0.0366338300000000 ] - [ -0.0000433000000000, -0.0000248900000000, -0.0007434000000000 ] - [ -0.0005109700000000, -0.0003195300000000, 0.0003691600000000 ] - [ -0.0002884000000000, -0.0007196900000000, -0.0013044600000000 ] - [ -0.0001622000000000, 0.0005459700000000, 0.0011269300000000 ] - [ -0.0000643300000000, -0.0001218300000000, -0.0000944500000000 ] - [ 0.0000117400000000, 0.0001087600000000, 0.0001031900000000 ] - [ 0.0000930400000000, -0.0002023400000000, -0.0004515500000000 ] - [ -0.0001130800000000, 0.0001764800000000, 0.0004560700000000 ] - [ 0.0001433700000000, 0.0000362300000000, -0.0001497000000000 ] - [ 0.0001143900000000, -0.0000677100000000, -0.0000475100000000 ] - [ 0.0001759400000000, 0.0000270300000000, -0.0001490900000000 ] - [ 0.0003657600000000, -0.0005096900000000, 0.0000423100000000 ] - [ -0.0000579000000000, 0.0002480800000000, 0.0000423700000000 ] - [ -0.0000010800000000, 0.0000280300000000, 0.0002547600000000 ] - [ -0.0000082500000000, -0.0001829700000000, -0.0002771400000000 ] - [ 0.0003473600000000, 0.0004418300000000, -0.0003187200000000 ] - [ -0.0000036700000000, -0.0000016200000000, -0.0000997400000000 ] - [ 0.0004721900000000, -0.0000024600000000, 0.0009738400000000 ] - [ 0.0000994600000000, -0.0003225700000000, -0.0006219200000000 ] - [ 0.0000224400000000, 0.0000226900000000, -0.0003030100000000 ] - [ 0.0038423200000000, 0.0191622900000000, 0.0218013500000000 ] - [ -0.0003184200000000, 0.0002026600000000, 0.0000907200000000 ] - [ 0.0001954900000000, -0.0004239300000000, -0.0018527200000000 ]- atom: 59 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000656800000000, -0.0000268200000000, 0.0000259900000000 ] - [ 0.0002360800000000, -0.0006286600000000, -0.0010247300000000 ] - [ -0.0001324500000000, 0.0000888300000000, 0.0000270100000000 ] - [ -0.0001844800000000, -0.0001173200000000, 0.0000795000000000 ] - [ 0.0000126600000000, -0.0003040800000000, 0.0001166500000000 ] - [ 0.0000668900000000, -0.0000418100000000, -0.0004962500000000 ] - [ 0.0007770100000000, -0.0001299300000000, 0.0007442800000000 ] - [ -0.0000994000000000, 0.0000483800000000, -0.0001062900000000 ] - [ 0.0000413800000000, -0.0002995500000000, -0.0000629900000000 ] - [ 0.0001455500000000, 0.0002542300000000, -0.0000433800000000 ] - [ -0.0020242000000000, -0.0039639900000000, -0.0021363900000000 ] - [ 0.0027292300000000, 0.0031654500000000, -0.0044542300000000 ] - [ 0.0025038200000000, -0.0011188200000000, -0.0001881600000000 ] - [ -0.0001600300000000, 0.0000541200000000, 0.0000081900000000 ] - [ -0.0000875700000000, -0.0002631900000000, 0.0001182100000000 ] - [ 0.0000524300000000, 0.0000841000000000, 0.0001079400000000 ] - [ -0.0005446300000000, -0.0000403400000000, -0.0000960700000000 ] - [ 0.0000365700000000, 0.0002288300000000, 0.0000674300000000 ] - [ 0.0000494500000000, 0.0000010800000000, 0.0002647400000000 ] - [ 0.0001294500000000, 0.0000308400000000, 0.0001836600000000 ] - [ -0.0000815200000000, 0.0000507800000000, 0.0000863100000000 ] - [ -0.0000782300000000, -0.0000314700000000, 0.0000646300000000 ] - [ -0.0000646700000000, -0.0003507400000000, -0.0000122100000000 ] - [ -0.0001298000000000, 0.0003055900000000, 0.0000317600000000 ] - [ -0.0000173100000000, -0.0001058300000000, -0.0000579300000000 ] - [ 0.0000278000000000, 0.0000049300000000, -0.0003083300000000 ] - [ -0.0000409700000000, -0.0001110500000000, 0.0001298500000000 ] - [ -0.0000885000000000, 0.0001152000000000, -0.0000182200000000 ] - [ 0.0000815600000000, 0.0000557900000000, -0.0000819400000000 ] - [ 0.0000441500000000, -0.0000173000000000, -0.0002553100000000 ] - [ -0.0000235300000000, -0.0000051300000000, 0.0001694200000000 ] - [ -0.0000411100000000, 0.0001032800000000, -0.0000350600000000 ] - [ 0.0000097000000000, 0.0002129400000000, -0.0001316000000000 ] - [ -0.0000837000000000, -0.0001829000000000, -0.0000751700000000 ] - [ 0.0000565500000000, 0.0001408900000000, 0.0001480800000000 ] - [ 0.0000359200000000, -0.0001521700000000, -0.0000475000000000 ] - [ 0.0018085200000000, 0.0003859000000000, -0.0008947000000000 ] - [ -0.0000727700000000, 0.0000353100000000, -0.0001116700000000 ] - [ -0.0001262000000000, -0.0000930300000000, -0.0000020000000000 ] - [ -0.0000892500000000, 0.0000456900000000, -0.0001323500000000 ] - [ -0.0014143900000000, -0.0000216100000000, -0.0010915700000000 ] - [ 0.0000319900000000, 0.0000147300000000, -0.0001591300000000 ] - [ 0.0002836900000000, 0.0000327500000000, -0.0000603700000000 ] - [ 0.0001720500000000, -0.0000132200000000, -0.0001701900000000 ] - [ 0.0000017000000000, 0.0000740100000000, -0.0001703500000000 ] - [ -0.0020685700000000, -0.0038612600000000, 0.0002427100000000 ] - [ 0.0000091900000000, -0.0002069500000000, -0.0005225900000000 ] - [ -0.0019969700000000, 0.0003374500000000, -0.0028182700000000 ] - [ -0.0000970700000000, -0.0013012300000000, -0.0006135800000000 ] - [ 0.0000376300000000, 0.0000841600000000, -0.0001760600000000 ] - [ 0.0003274200000000, 0.0006386000000000, 0.0002121800000000 ] - [ 0.0002703100000000, 0.0000988400000000, -0.0000416300000000 ] - [ -0.0000105600000000, -0.0000481600000000, 0.0002401600000000 ] - [ -0.0001715900000000, 0.0000641800000000, 0.0000540300000000 ] - [ -0.0001906500000000, -0.0000210000000000, -0.0001443400000000 ] - [ 0.0000435800000000, -0.0000342700000000, 0.0000440900000000 ] - [ 0.0000459600000000, -0.0001282300000000, -0.0001156700000000 ] - [ 0.0007431100000000, 0.0021120500000000, -0.0000916500000000 ] - [ -0.0006504900000000, 0.0209862800000000, 0.0701625600000000 ] - [ -0.0000036100000000, -0.0001508900000000, -0.0001093200000000 ] - [ 0.0002377600000000, -0.0001310100000000, -0.0005070600000000 ] - [ 0.0001362900000000, 0.0001731300000000, 0.0000648200000000 ] - [ -0.0033564200000000, 0.0014135100000000, -0.0013807800000000 ] - [ 0.0000179100000000, 0.0000235600000000, 0.0001229200000000 ] - [ 0.0071022200000000, 0.0003042100000000, -0.0355110700000000 ] - [ -0.0002952700000000, -0.0001891000000000, 0.0003738900000000 ] - [ 0.0003171600000000, 0.0004889200000000, -0.0004134100000000 ] - [ 0.0000915000000000, 0.0005485100000000, 0.0012737700000000 ] - [ 0.0002196600000000, -0.0003871600000000, -0.0012440400000000 ] - [ 0.0001375700000000, -0.0000226400000000, -0.0000284100000000 ] - [ 0.0000120800000000, -0.0000736100000000, -0.0001685400000000 ] - [ -0.0000630800000000, 0.0001670700000000, 0.0003875100000000 ] - [ 0.0003135500000000, -0.0002086700000000, -0.0004311100000000 ] - [ 0.0000549400000000, -0.0000067200000000, 0.0001823600000000 ] - [ 0.0002037700000000, 0.0001303000000000, -0.0001461600000000 ] - [ 0.0001420600000000, -0.0000887100000000, -0.0000448300000000 ] - [ -0.0005616100000000, 0.0002563500000000, 0.0000604600000000 ] - [ -0.0001358600000000, 0.0000064700000000, 0.0000607200000000 ] - [ 0.0000113200000000, 0.0001316300000000, -0.0001931300000000 ] - [ 0.0000216900000000, 0.0000233300000000, 0.0003447700000000 ] - [ -0.0001945600000000, -0.0005417900000000, 0.0002183800000000 ] - [ 0.0001639900000000, 0.0000985100000000, -0.0000045200000000 ] - [ -0.0006508400000000, 0.0000680300000000, -0.0008858700000000 ] - [ -0.0003055700000000, 0.0002621600000000, 0.0006707000000000 ] - [ -0.0000840400000000, -0.0002162100000000, 0.0003868200000000 ] - [ -0.0038229300000000, -0.0185306200000000, -0.0214856500000000 ] - [ 0.0003497000000000, -0.0002404100000000, 0.0000515700000000 ] - [ -0.0001657900000000, 0.0004567100000000, 0.0019737200000000 ]- atom: 61 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0001384500000000, -0.0001101900000000, 0.0000192500000000 ] - [ 0.0001636400000000, 0.0001888000000000, -0.0001828300000000 ] - [ -0.0001064500000000, 0.0003056400000000, 0.0002704200000000 ] - [ -0.0000878500000000, -0.0001570900000000, -0.0000918900000000 ] - [ -0.0002519700000000, 0.0002742800000000, -0.0005999700000000 ] - [ -0.0000275400000000, 0.0001945000000000, 0.0004409500000000 ] - [ -0.0003669500000000, -0.0001951500000000, 0.0000760800000000 ] - [ -0.0001628700000000, 0.0000616600000000, -0.0000484800000000 ] - [ -0.0000842900000000, -0.0003036800000000, -0.0001459400000000 ] - [ -0.0002205500000000, 0.0002772500000000, -0.0000161700000000 ] - [ -0.0000634600000000, -0.0000427600000000, 0.0001275400000000 ] - [ -0.0000665800000000, 0.0000126400000000, 0.0001899800000000 ] - [ -0.0002962000000000, -0.0001027300000000, 0.0000729400000000 ] - [ -0.0002309000000000, 0.0001070400000000, 0.0000765400000000 ] - [ -0.0002622800000000, -0.0001892500000000, 0.0001078500000000 ] - [ -0.0001818100000000, 0.0002003800000000, 0.0001446600000000 ] - [ -0.0003954000000000, -0.0000835700000000, 0.0000120500000000 ] - [ -0.0002237100000000, 0.0001665300000000, -0.0000128800000000 ] - [ -0.0003920000000000, -0.0001110800000000, 0.0001899300000000 ] - [ -0.0000925400000000, 0.0000156800000000, 0.0003192400000000 ] - [ -0.0001112300000000, 0.0001463000000000, 0.0002733900000000 ] - [ -0.0003489600000000, 0.0002090100000000, -0.0002515700000000 ] - [ -0.0002475100000000, -0.0001694200000000, 0.0000332900000000 ] - [ -0.0002837300000000, 0.0000596100000000, 0.0000032700000000 ] - [ -0.0001561100000000, -0.0003030000000000, -0.0002645800000000 ] - [ -0.0000689000000000, 0.0001183200000000, -0.0000864500000000 ] - [ -0.0001188700000000, 0.0000784800000000, 0.0001236100000000 ] - [ -0.0000924400000000, 0.0000544000000000, -0.0001099000000000 ] - [ 0.0046104000000000, 0.0008198300000000, -0.0031029000000000 ] - [ 0.0000843900000000, -0.0000082300000000, -0.0001292100000000 ] - [ 0.0017637300000000, -0.0030531900000000, 0.0002868300000000 ] - [ 0.0000266800000000, 0.0000412300000000, -0.0001485500000000 ] - [ 0.0000432400000000, 0.0002050700000000, 0.0001353300000000 ] - [ 0.0009130500000000, -0.0014657900000000, 0.0013796800000000 ] - [ 0.0003695100000000, -0.0002644000000000, 0.0001854500000000 ] - [ 0.0001215300000000, -0.0000792200000000, 0.0001168700000000 ] - [ 0.0002490700000000, 0.0001182900000000, -0.0001332200000000 ] - [ 0.0002842600000000, -0.0001700500000000, -0.0002824000000000 ] - [ 0.0011669700000000, -0.0008259600000000, -0.0002524000000000 ] - [ 0.0003598400000000, 0.0000152400000000, 0.0001670800000000 ] - [ 0.0002006100000000, -0.0003144600000000, -0.0000265300000000 ] - [ 0.0000834300000000, 0.0001525600000000, -0.0002032500000000 ] - [ 0.0000043600000000, -0.0008618800000000, 0.0015014400000000 ] - [ 0.0005444000000000, -0.0000104200000000, 0.0002440400000000 ] - [ 0.0000288900000000, 0.0000605300000000, -0.0002635100000000 ] - [ 0.0034904800000000, -0.0000944100000000, -0.0027168400000000 ] - [ 0.0000966300000000, 0.0003530300000000, -0.0001283400000000 ] - [ 0.0001175500000000, -0.0003117400000000, -0.0000731300000000 ] - [ 0.0001678800000000, -0.0000066700000000, -0.0000205400000000 ] - [ 0.0002252700000000, 0.0000373400000000, 0.0000489100000000 ] - [ -0.0000630800000000, -0.0001129900000000, 0.0001782200000000 ] - [ -0.0000024400000000, 0.0000687200000000, 0.0001699400000000 ] - [ -0.0005353700000000, 0.0002309900000000, 0.0000256800000000 ] - [ -0.0003136800000000, -0.0000041100000000, 0.0000001900000000 ] - [ 0.0001431400000000, -0.0001646400000000, 0.0000541500000000 ] - [ 0.0001763600000000, 0.0000341700000000, 0.0001814000000000 ] - [ 0.0003137400000000, 0.0000999200000000, -0.0000389200000000 ] - [ 0.0012207200000000, 0.0005979900000000, 0.0004268800000000 ] - [ -0.0000239000000000, -0.0000360900000000, -0.0000362000000000 ] - [ -0.0000256000000000, -0.0001180200000000, 0.0000657400000000 ] - [ -0.0151267000000000, 0.0001081100000000, 0.0000248700000000 ] - [ -0.0002455900000000, 0.0001283100000000, -0.0001003700000000 ] - [ -0.0003001800000000, -0.0000359700000000, -0.0000547500000000 ] - [ -0.0002254700000000, 0.0001001700000000, 0.0000049700000000 ] - [ -0.0000328300000000, 0.0002958200000000, 0.0000093600000000 ] - [ -0.0001046600000000, -0.0001826300000000, -0.0001636200000000 ] - [ 0.0002821400000000, -0.0004174300000000, 0.0001158100000000 ] - [ 0.0000461800000000, -0.0001084500000000, -0.0001931000000000 ] - [ 0.0008307700000000, -0.0001202600000000, 0.0001170300000000 ] - [ 0.0005531600000000, 0.0000690600000000, -0.0000999000000000 ] - [ 0.0006313100000000, 0.0000222500000000, -0.0002108100000000 ] - [ 0.0005344100000000, -0.0000579200000000, 0.0000132900000000 ] - [ 0.0017077200000000, -0.0008089800000000, -0.0005042700000000 ] - [ 0.0003699500000000, -0.0002728600000000, 0.0001944800000000 ] - [ 0.0029070300000000, 0.0001009300000000, 0.0025904400000000 ] - [ 0.0003133700000000, -0.0000834500000000, -0.0003019100000000 ] - [ -0.0002386300000000, -0.0001504100000000, 0.0001131900000000 ] - [ -0.0003267500000000, 0.0004089500000000, -0.0000010000000000 ] - [ -0.0013478200000000, 0.0029011500000000, 0.0013729500000000 ] - [ -0.0002034000000000, -0.0001150500000000, 0.0000019100000000 ] - [ -0.0019175100000000, -0.0004323200000000, -0.0014110300000000 ] - [ -0.0011185100000000, 0.0013195700000000, -0.0000144400000000 ] - [ -0.0006932100000000, 0.0000086000000000, -0.0000148400000000 ] - [ -0.0000532200000000, -0.0008528900000000, 0.0003063600000000 ] - [ -0.0001035000000000, -0.0000731100000000, 0.0000793800000000 ] - [ 0.0008661100000000, 0.0025443000000000, 0.0002882400000000 ] - [ 0.0011580800000000, -0.0004314500000000, 0.0015594500000000 ] - [ 0.0006346900000000, 0.0005007100000000, -0.0020038900000000 ]- atom: 61 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000020700000000, 0.0000909400000000, -0.0001557600000000 ] - [ -0.0000240400000000, -0.0001695400000000, 0.0000469600000000 ] - [ -0.0001519600000000, -0.0001319900000000, -0.0001992200000000 ] - [ -0.0001710500000000, -0.0000150300000000, 0.0001619500000000 ] - [ 0.0003770700000000, -0.0006170300000000, 0.0005821000000000 ] - [ 0.0001488400000000, 0.0001433000000000, -0.0004673800000000 ] - [ 0.0001898700000000, 0.0000269000000000, -0.0000633100000000 ] - [ -0.0000148200000000, 0.0001066300000000, 0.0000608100000000 ] - [ 0.0002218000000000, -0.0002738200000000, 0.0000249900000000 ] - [ 0.0003590300000000, 0.0002987000000000, -0.0001054800000000 ] - [ 0.0001140500000000, -0.0002292600000000, 0.0001202400000000 ] - [ 0.0001166200000000, 0.0002586800000000, 0.0000577400000000 ] - [ 0.0001877900000000, -0.0000684600000000, 0.0002301900000000 ] - [ 0.0001222100000000, 0.0000647600000000, 0.0002265200000000 ] - [ 0.0003348400000000, -0.0001692400000000, 0.0000636200000000 ] - [ 0.0002541500000000, 0.0001581500000000, 0.0000257200000000 ] - [ 0.0003720200000000, -0.0003224700000000, 0.0001249100000000 ] - [ 0.0001980300000000, 0.0002387900000000, 0.0001495400000000 ] - [ 0.0005258300000000, 0.0001059600000000, 0.0002952300000000 ] - [ 0.0002243400000000, -0.0000109000000000, 0.0001667200000000 ] - [ -0.0000588800000000, -0.0001200200000000, -0.0001280800000000 ] - [ 0.0001784600000000, -0.0002319300000000, 0.0003959800000000 ] - [ -0.0001494300000000, -0.0002359600000000, 0.0000027700000000 ] - [ -0.0001129700000000, 0.0003464000000000, 0.0000330500000000 ] - [ 0.0001257000000000, 0.0001430800000000, -0.0000058800000000 ] - [ 0.0000381200000000, 0.0000418500000000, -0.0001827400000000 ] - [ -0.0000463800000000, -0.0003076800000000, -0.0000599200000000 ] - [ -0.0000729900000000, 0.0001742300000000, 0.0001735400000000 ] - [ -0.0042518400000000, -0.0006065400000000, 0.0027575600000000 ] - [ 0.0000455400000000, -0.0000822000000000, -0.0001833700000000 ] - [ -0.0017872100000000, 0.0027866400000000, -0.0002860200000000 ] - [ -0.0000886000000000, 0.0001294400000000, 0.0001859600000000 ] - [ -0.0000510000000000, 0.0000111500000000, -0.0002587800000000 ] - [ -0.0009059700000000, 0.0012515100000000, -0.0014613600000000 ] - [ -0.0002715600000000, 0.0005293200000000, -0.0000562700000000 ] - [ -0.0000256200000000, -0.0001871200000000, 0.0000113200000000 ] - [ -0.0003186200000000, -0.0001251400000000, -0.0000917800000000 ] - [ -0.0003531400000000, 0.0001781600000000, 0.0000584700000000 ] - [ -0.0012864100000000, 0.0007544200000000, 0.0001842200000000 ] - [ -0.0004974600000000, 0.0000462700000000, -0.0002341500000000 ] - [ -0.0002789900000000, 0.0002390500000000, -0.0000062400000000 ] - [ -0.0001609300000000, -0.0000760100000000, 0.0001692900000000 ] - [ 0.0005043600000000, 0.0008046000000000, -0.0015107500000000 ] - [ -0.0000401500000000, 0.0000815800000000, -0.0002403700000000 ] - [ -0.0000249000000000, 0.0000381500000000, 0.0001076200000000 ] - [ -0.0036366900000000, -0.0000800900000000, 0.0027131100000000 ] - [ -0.0000081600000000, 0.0000647900000000, -0.0000010100000000 ] - [ -0.0000294800000000, -0.0001044800000000, -0.0000555300000000 ] - [ 0.0001156600000000, -0.0001983400000000, -0.0000557200000000 ] - [ 0.0000593300000000, 0.0001676300000000, -0.0001252900000000 ] - [ 0.0003793500000000, 0.0000893100000000, -0.0000173200000000 ] - [ 0.0003188000000000, -0.0000451300000000, -0.0000090300000000 ] - [ 0.0002588900000000, -0.0003001200000000, 0.0001983100000000 ] - [ 0.0000379800000000, 0.0000741300000000, 0.0002236500000000 ] - [ -0.0002545600000000, 0.0000616300000000, -0.0000449200000000 ] - [ -0.0002876200000000, 0.0000689200000000, -0.0001721200000000 ] - [ -0.0001765600000000, -0.0001650300000000, 0.0000199600000000 ] - [ -0.0011084500000000, -0.0005618000000000, -0.0004732800000000 ] - [ -0.0000810000000000, 0.0003420000000000, 0.0002699800000000 ] - [ -0.0000789700000000, -0.0001876300000000, 0.0001670600000000 ] - [ 0.0151720000000000, -0.0003394800000000, -0.0002847700000000 ] - [ 0.0004145400000000, 0.0001833300000000, -0.0001133400000000 ] - [ 0.0002612500000000, -0.0001644300000000, -0.0000903100000000 ] - [ 0.0001863000000000, 0.0001018500000000, -0.0001500400000000 ] - [ -0.0003032400000000, -0.0000805500000000, -0.0003897900000000 ] - [ -0.0002323700000000, -0.0000323600000000, -0.0002154100000000 ] - [ -0.0004725500000000, 0.0005828500000000, -0.0001533500000000 ] - [ -0.0002350300000000, -0.0000505300000000, 0.0001614400000000 ] - [ -0.0007580800000000, 0.0002621900000000, -0.0002419200000000 ] - [ -0.0004814800000000, -0.0002128600000000, -0.0000248900000000 ] - [ -0.0006015700000000, 0.0000115700000000, 0.0001433400000000 ] - [ -0.0005070900000000, 0.0000229700000000, -0.0000821700000000 ] - [ -0.0015163600000000, 0.0007780500000000, 0.0005329800000000 ] - [ -0.0001713500000000, 0.0002999800000000, -0.0001666300000000 ] - [ -0.0025753400000000, -0.0000366100000000, -0.0027632700000000 ] - [ 0.0000056800000000, 0.0000199700000000, 0.0001063300000000 ] - [ 0.0000447400000000, -0.0001050500000000, -0.0000122100000000 ] - [ 0.0001306500000000, -0.0001535500000000, 0.0000999900000000 ] - [ 0.0013470200000000, -0.0027313700000000, -0.0013025200000000 ] - [ 0.0002180500000000, -0.0000476400000000, 0.0000625600000000 ] - [ 0.0020780700000000, 0.0003353900000000, 0.0013106700000000 ] - [ 0.0012737300000000, -0.0012263600000000, -0.0001025700000000 ] - [ 0.0004877200000000, 0.0000572100000000, 0.0000642000000000 ] - [ -0.0001511300000000, 0.0007770100000000, -0.0002517300000000 ] - [ 0.0000420800000000, -0.0001216400000000, 0.0000001500000000 ] - [ -0.0009278100000000, -0.0023564000000000, -0.0002102500000000 ] - [ -0.0011241100000000, 0.0003997800000000, -0.0014307500000000 ] - [ -0.0006086500000000, -0.0004674200000000, 0.0021462400000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000777700000000, 0.0000151400000000, -0.0001456800000000 ] - [ 0.0001530700000000, 0.0000692900000000, -0.0001584000000000 ] - [ 0.0000990200000000, 0.0000962200000000, 0.0002564800000000 ] - [ -0.0002526300000000, 0.0000118200000000, 0.0002209400000000 ] - [ 0.0002576500000000, -0.0002181800000000, 0.0001500700000000 ] - [ 0.0000271200000000, 0.0002029600000000, 0.0001422600000000 ] - [ -0.0002351100000000, -0.0001339900000000, 0.0000345500000000 ] - [ -0.0000460900000000, 0.0001321500000000, 0.0000586200000000 ] - [ 0.0002608600000000, 0.0001798800000000, -0.0000580500000000 ] - [ -0.0001078500000000, 0.0003998100000000, 0.0000129100000000 ] - [ 0.0000954800000000, -0.0003045900000000, 0.0001106700000000 ] - [ -0.0000481700000000, -0.0000319500000000, 0.0001713500000000 ] - [ -0.0001139100000000, -0.0001413100000000, 0.0001358600000000 ] - [ 0.0000030200000000, 0.0000559000000000, 0.0001770400000000 ] - [ 0.0000617900000000, -0.0001710000000000, 0.0001289300000000 ] - [ -0.0000228600000000, 0.0001783700000000, 0.0001184200000000 ] - [ 0.0004619400000000, -0.0003362700000000, 0.0001031000000000 ] - [ -0.0001514100000000, 0.0001872600000000, 0.0000081700000000 ] - [ -0.0000750200000000, -0.0000033100000000, 0.0001654500000000 ] - [ 0.0001566600000000, 0.0000567600000000, 0.0001927800000000 ] - [ 0.0001283500000000, 0.0002877600000000, -0.0000343100000000 ] - [ -0.0002167900000000, 0.0003261100000000, -0.0000754300000000 ] - [ -0.0001190200000000, -0.0004147100000000, 0.0000297400000000 ] - [ -0.0002921200000000, 0.0000051700000000, -0.0000052600000000 ] - [ -0.0003140000000000, -0.0003635600000000, 0.0000807900000000 ] - [ 0.0000669200000000, -0.0000170300000000, -0.0002742900000000 ] - [ -0.0000375600000000, -0.0004136000000000, 0.0000164200000000 ] - [ -0.0001039400000000, 0.0000535000000000, -0.0001235600000000 ] - [ 0.0017606800000000, 0.0009658300000000, -0.0015915500000000 ] - [ 0.0000591300000000, 0.0000442100000000, -0.0002532700000000 ] - [ -0.0027184600000000, 0.0038676400000000, -0.0000341900000000 ] - [ 0.0000982900000000, 0.0003920500000000, -0.0003689300000000 ] - [ 0.0000014100000000, 0.0003609300000000, -0.0003628900000000 ] - [ -0.0002725300000000, 0.0011478900000000, -0.0008568600000000 ] - [ 0.0000405200000000, -0.0003554600000000, 0.0000229200000000 ] - [ -0.0000682400000000, -0.0003747300000000, -0.0000008100000000 ] - [ -0.0000213800000000, -0.0003309300000000, -0.0001562100000000 ] - [ -0.0001237800000000, -0.0001809600000000, -0.0003664000000000 ] - [ -0.0028330900000000, 0.0038757300000000, 0.0005726600000000 ] - [ -0.0002753000000000, 0.0000285100000000, -0.0003256100000000 ] - [ -0.0004606800000000, -0.0003603100000000, 0.0002498600000000 ] - [ 0.0000337700000000, -0.0000435500000000, 0.0001629900000000 ] - [ 0.0003798500000000, 0.0017364600000000, -0.0030549400000000 ] - [ 0.0002690900000000, 0.0000575000000000, 0.0001049900000000 ] - [ -0.0000172700000000, 0.0003506400000000, 0.0000337700000000 ] - [ 0.0013260600000000, -0.0003762100000000, -0.0008507600000000 ] - [ -0.0000325600000000, -0.0001728400000000, 0.0000593400000000 ] - [ 0.0000818600000000, -0.0004924100000000, -0.0000778000000000 ] - [ 0.0003043500000000, -0.0001956200000000, 0.0000491900000000 ] - [ 0.0001899600000000, -0.0000218600000000, 0.0000928700000000 ] - [ 0.0000340900000000, -0.0002099900000000, 0.0000485800000000 ] - [ 0.0002606200000000, -0.0001633000000000, 0.0001288600000000 ] - [ -0.0001448400000000, 0.0002214900000000, 0.0002926500000000 ] - [ -0.0000793000000000, 0.0002552300000000, -0.0000207400000000 ] - [ 0.0000167600000000, -0.0002763800000000, -0.0000726800000000 ] - [ -0.0001290900000000, -0.0003620600000000, 0.0002320400000000 ] - [ 0.0002440900000000, 0.0001756000000000, -0.0000348500000000 ] - [ 0.0005576900000000, 0.0011063000000000, 0.0005814900000000 ] - [ -0.0000803000000000, 0.0000837700000000, 0.0000931400000000 ] - [ -0.0000471400000000, -0.0001553600000000, 0.0001359400000000 ] - [ 0.0002602300000000, -0.0154951500000000, 0.0004299100000000 ] - [ 0.0001122700000000, -0.0001251100000000, -0.0000381500000000 ] - [ -0.0001033200000000, 0.0004592700000000, -0.0000866800000000 ] - [ -0.0000133100000000, 0.0003614400000000, -0.0000306300000000 ] - [ -0.0001611400000000, 0.0005710000000000, -0.0000926100000000 ] - [ -0.0001431700000000, 0.0003924400000000, -0.0001916700000000 ] - [ -0.0002600900000000, 0.0003089700000000, -0.0000744700000000 ] - [ -0.0000697700000000, -0.0000146700000000, -0.0000830200000000 ] - [ 0.0000462100000000, -0.0000197400000000, -0.0000387400000000 ] - [ -0.0000199200000000, -0.0003473400000000, -0.0000983900000000 ] - [ 0.0002206200000000, 0.0002830900000000, -0.0003335100000000 ] - [ -0.0002235900000000, 0.0001038300000000, -0.0000661700000000 ] - [ -0.0020966700000000, 0.0006045900000000, 0.0004458500000000 ] - [ 0.0000987200000000, -0.0002823000000000, 0.0003407800000000 ] - [ 0.0002260600000000, -0.0012359000000000, 0.0011379200000000 ] - [ 0.0000886400000000, -0.0006662100000000, -0.0000976800000000 ] - [ 0.0001062800000000, 0.0006006800000000, -0.0001353700000000 ] - [ -0.0002542400000000, 0.0007062400000000, 0.0000380900000000 ] - [ 0.0025890000000000, 0.0029368800000000, 0.0001794700000000 ] - [ 0.0002184200000000, 0.0000134600000000, 0.0002292300000000 ] - [ 0.0003519700000000, 0.0008337800000000, 0.0025764000000000 ] - [ 0.0013581200000000, -0.0013310100000000, 0.0026611300000000 ] - [ -0.0000068000000000, 0.0003336700000000, -0.0004097100000000 ] - [ -0.0006742100000000, 0.0016968000000000, -0.0007477600000000 ] - [ 0.0000542300000000, -0.0002507800000000, 0.0000102800000000 ] - [ 0.0013310100000000, 0.0012781800000000, -0.0003674800000000 ] - [ -0.0012350300000000, -0.0020618100000000, -0.0002912700000000 ] - [ 0.0002876000000000, 0.0000393000000000, -0.0007381000000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002164900000000, -0.0000368900000000, 0.0000100700000000 ] - [ -0.0000141700000000, -0.0000488400000000, 0.0000239300000000 ] - [ -0.0003544700000000, 0.0000752400000000, -0.0001847600000000 ] - [ -0.0000044000000000, -0.0001839700000000, -0.0001507000000000 ] - [ -0.0001354500000000, -0.0001227600000000, -0.0001750800000000 ] - [ 0.0000941700000000, 0.0001391100000000, -0.0001654100000000 ] - [ 0.0000574500000000, -0.0000338200000000, -0.0000229200000000 ] - [ -0.0001320800000000, 0.0000334100000000, -0.0000488200000000 ] - [ -0.0001242200000000, -0.0007585600000000, -0.0000623700000000 ] - [ 0.0002436300000000, 0.0001761900000000, -0.0001340500000000 ] - [ -0.0000477900000000, 0.0000363600000000, 0.0001389400000000 ] - [ 0.0000952200000000, 0.0002992700000000, 0.0000785100000000 ] - [ 0.0000058000000000, -0.0000316100000000, 0.0001642200000000 ] - [ -0.0001122600000000, 0.0001170400000000, 0.0001226300000000 ] - [ 0.0000101300000000, -0.0001884200000000, 0.0000451400000000 ] - [ 0.0000947900000000, 0.0001807800000000, 0.0000553200000000 ] - [ -0.0004839100000000, -0.0000708100000000, 0.0000375700000000 ] - [ 0.0001290100000000, 0.0002185700000000, 0.0001324800000000 ] - [ 0.0002105700000000, -0.0000036700000000, 0.0003174700000000 ] - [ -0.0000228900000000, -0.0000504700000000, 0.0002899000000000 ] - [ -0.0002965400000000, -0.0002617600000000, 0.0001815400000000 ] - [ 0.0000500100000000, -0.0003523600000000, 0.0002227300000000 ] - [ -0.0002748100000000, 0.0000080900000000, 0.0000071900000000 ] - [ -0.0001012700000000, 0.0004018800000000, 0.0000424600000000 ] - [ 0.0002852600000000, 0.0002057900000000, -0.0003508300000000 ] - [ -0.0000962500000000, 0.0001749800000000, 0.0000040100000000 ] - [ -0.0001270600000000, 0.0001803100000000, 0.0000487400000000 ] - [ -0.0000608300000000, 0.0001787300000000, 0.0001889300000000 ] - [ -0.0015903100000000, -0.0008636100000000, 0.0012803000000000 ] - [ 0.0000681800000000, -0.0001308200000000, -0.0000593200000000 ] - [ 0.0028140100000000, -0.0042072400000000, -0.0000088800000000 ] - [ -0.0001621000000000, -0.0002243800000000, 0.0004044200000000 ] - [ -0.0000137500000000, -0.0001456300000000, 0.0002366700000000 ] - [ 0.0002569000000000, -0.0013464300000000, 0.0007212000000000 ] - [ 0.0000514900000000, 0.0006229600000000, 0.0001033800000000 ] - [ 0.0001611300000000, 0.0001077400000000, 0.0001272800000000 ] - [ -0.0000482800000000, 0.0003217100000000, -0.0000655900000000 ] - [ 0.0000534000000000, 0.0001895000000000, 0.0001441400000000 ] - [ 0.0026656800000000, -0.0037332200000000, -0.0005342700000000 ] - [ 0.0001390200000000, 0.0000347300000000, 0.0002537600000000 ] - [ 0.0003895500000000, 0.0002859000000000, -0.0002906300000000 ] - [ -0.0001117900000000, 0.0001213800000000, -0.0002001000000000 ] - [ 0.0000846900000000, -0.0017643500000000, 0.0029609500000000 ] - [ 0.0002355900000000, 0.0000129800000000, -0.0000988700000000 ] - [ 0.0000266700000000, -0.0002533600000000, -0.0001910800000000 ] - [ -0.0013291600000000, 0.0002818500000000, 0.0007037500000000 ] - [ 0.0001269000000000, 0.0005921700000000, -0.0001908400000000 ] - [ 0.0000129900000000, 0.0000732500000000, -0.0000540900000000 ] - [ -0.0000159300000000, -0.0000057700000000, -0.0001242300000000 ] - [ 0.0000975600000000, 0.0002233100000000, -0.0001694900000000 ] - [ 0.0002807100000000, 0.0001881500000000, 0.0001111500000000 ] - [ 0.0000537000000000, 0.0001846700000000, 0.0000310800000000 ] - [ -0.0001284600000000, -0.0002893500000000, -0.0000710900000000 ] - [ -0.0001942800000000, -0.0001885800000000, 0.0002423300000000 ] - [ -0.0001312300000000, 0.0001698900000000, 0.0000855800000000 ] - [ 0.0000139600000000, 0.0004670900000000, -0.0002188600000000 ] - [ -0.0001028100000000, -0.0002438800000000, 0.0000192600000000 ] - [ -0.0004452700000000, -0.0010630700000000, -0.0006251900000000 ] - [ -0.0000214600000000, 0.0002186100000000, 0.0001416800000000 ] - [ -0.0000548800000000, -0.0001486300000000, 0.0000991200000000 ] - [ -0.0001938900000000, 0.0151233700000000, -0.0005285600000000 ] - [ 0.0000559500000000, 0.0004372000000000, -0.0001766900000000 ] - [ 0.0000655500000000, -0.0006612300000000, -0.0000588100000000 ] - [ -0.0000246200000000, -0.0001589000000000, -0.0001142700000000 ] - [ -0.0001896600000000, -0.0003560500000000, -0.0002889200000000 ] - [ -0.0002076000000000, -0.0006074300000000, -0.0001899900000000 ] - [ 0.0000615900000000, -0.0001529700000000, 0.0000451100000000 ] - [ -0.0001260400000000, -0.0001438400000000, 0.0000551300000000 ] - [ 0.0000175100000000, 0.0001633300000000, -0.0000865400000000 ] - [ 0.0000829100000000, 0.0002025300000000, -0.0000256300000000 ] - [ -0.0001837800000000, -0.0002463400000000, 0.0002621200000000 ] - [ 0.0002597000000000, -0.0001414600000000, -0.0000059900000000 ] - [ 0.0022990300000000, -0.0006366000000000, -0.0004132100000000 ] - [ 0.0001023000000000, 0.0003104000000000, -0.0003075000000000 ] - [ 0.0000874800000000, 0.0012826500000000, -0.0013341900000000 ] - [ 0.0002372900000000, 0.0006148000000000, -0.0000940000000000 ] - [ -0.0002947600000000, -0.0008611400000000, 0.0002417700000000 ] - [ 0.0000637400000000, -0.0004471500000000, 0.0000680200000000 ] - [ -0.0025576000000000, -0.0027626900000000, -0.0001190300000000 ] - [ -0.0002062200000000, -0.0001765800000000, -0.0001720900000000 ] - [ -0.0001980200000000, -0.0009303300000000, -0.0026809100000000 ] - [ -0.0011956600000000, 0.0014113700000000, -0.0027519200000000 ] - [ -0.0001915900000000, -0.0002723400000000, 0.0004728100000000 ] - [ 0.0004790400000000, -0.0017636600000000, 0.0008036200000000 ] - [ -0.0001210100000000, 0.0000498400000000, 0.0000637800000000 ] - [ -0.0014068800000000, -0.0010709300000000, 0.0004457600000000 ] - [ 0.0012593500000000, 0.0020216500000000, 0.0004372500000000 ] - [ -0.0002606100000000, 0.0000031300000000, 0.0008725700000000 ]- atom: 61 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0002667200000000, -0.0001139200000000, 0.0000447600000000 ] - [ 0.0000000800000000, -0.0001216300000000, -0.0000515900000000 ] - [ 0.0001095000000000, 0.0003188300000000, 0.0000385800000000 ] - [ -0.0002232100000000, -0.0000050600000000, 0.0000919800000000 ] - [ -0.0001929300000000, -0.0001007300000000, 0.0002555700000000 ] - [ 0.0001500900000000, 0.0001200500000000, -0.0004070700000000 ] - [ 0.0000276900000000, -0.0000813800000000, 0.0002624200000000 ] - [ -0.0001347700000000, 0.0000013100000000, -0.0002019100000000 ] - [ -0.0002020300000000, -0.0004817200000000, -0.0001081500000000 ] - [ 0.0002545600000000, 0.0003800000000000, -0.0001022100000000 ] - [ -0.0000084200000000, -0.0000410400000000, 0.0001884700000000 ] - [ 0.0000470900000000, 0.0001956600000000, 0.0000806100000000 ] - [ -0.0000224600000000, -0.0000368600000000, 0.0001926500000000 ] - [ -0.0001998200000000, 0.0001436600000000, 0.0000632000000000 ] - [ -0.0000746400000000, -0.0001728500000000, 0.0001514300000000 ] - [ 0.0000687800000000, 0.0001982600000000, 0.0000464700000000 ] - [ 0.0001518200000000, -0.0002522500000000, 0.0001081100000000 ] - [ -0.0001792300000000, 0.0001729400000000, 0.0000035900000000 ] - [ -0.0003226500000000, 0.0000663600000000, 0.0004986400000000 ] - [ 0.0001882500000000, 0.0000193500000000, 0.0001565300000000 ] - [ 0.0000019800000000, 0.0000029800000000, 0.0000496200000000 ] - [ -0.0002923600000000, -0.0001567600000000, -0.0000506400000000 ] - [ -0.0001537200000000, -0.0002648700000000, 0.0000146100000000 ] - [ -0.0002833700000000, 0.0000770800000000, 0.0000160100000000 ] - [ -0.0001598200000000, -0.0002189600000000, 0.0001783000000000 ] - [ 0.0000279400000000, 0.0000067500000000, -0.0002826300000000 ] - [ -0.0000141400000000, -0.0002858600000000, 0.0001404900000000 ] - [ -0.0001037100000000, 0.0000417800000000, -0.0001699900000000 ] - [ -0.0007629600000000, -0.0001890200000000, 0.0010767800000000 ] - [ 0.0000448000000000, -0.0000067700000000, -0.0004372600000000 ] - [ -0.0007621600000000, 0.0012856900000000, -0.0003034100000000 ] - [ -0.0000569700000000, 0.0000656100000000, -0.0004766200000000 ] - [ 0.0002717100000000, -0.0003748800000000, -0.0003820300000000 ] - [ 0.0007986300000000, -0.0029599700000000, 0.0038975300000000 ] - [ -0.0000029000000000, -0.0000145900000000, 0.0001177100000000 ] - [ 0.0000104400000000, -0.0001997900000000, -0.0000240500000000 ] - [ -0.0000520800000000, -0.0001800000000000, -0.0000834200000000 ] - [ 0.0002305500000000, -0.0003442700000000, -0.0004545100000000 ] - [ -0.0013839000000000, 0.0013368200000000, 0.0007941000000000 ] - [ -0.0000972800000000, -0.0000405800000000, -0.0001940900000000 ] - [ 0.0000519000000000, 0.0001573000000000, 0.0000287000000000 ] - [ -0.0000252300000000, 0.0001445700000000, -0.0003237300000000 ] - [ 0.0003777400000000, -0.0026795400000000, 0.0038887600000000 ] - [ 0.0003569400000000, 0.0002106500000000, -0.0000674100000000 ] - [ -0.0000672600000000, 0.0001009700000000, -0.0003854100000000 ] - [ -0.0028204800000000, 0.0002483400000000, 0.0017534900000000 ] - [ 0.0001089100000000, 0.0006705000000000, -0.0002223300000000 ] - [ 0.0000818900000000, -0.0001719400000000, -0.0000407400000000 ] - [ 0.0000911800000000, 0.0001397000000000, 0.0002623800000000 ] - [ 0.0001388500000000, 0.0001956000000000, -0.0001968400000000 ] - [ 0.0000273200000000, 0.0000359700000000, 0.0002769300000000 ] - [ 0.0002102900000000, 0.0001002100000000, -0.0000681300000000 ] - [ -0.0001536000000000, 0.0001717800000000, 0.0003191200000000 ] - [ -0.0002250200000000, 0.0001296000000000, -0.0000987400000000 ] - [ -0.0000843300000000, -0.0001502500000000, -0.0001592600000000 ] - [ 0.0000926000000000, 0.0000626400000000, 0.0002496100000000 ] - [ 0.0003115300000000, -0.0000750100000000, -0.0003889300000000 ] - [ 0.0006527100000000, 0.0005423600000000, 0.0010470600000000 ] - [ -0.0000800800000000, 0.0003049900000000, 0.0005181700000000 ] - [ -0.0000124200000000, -0.0000990000000000, -0.0000519400000000 ] - [ 0.0002973100000000, 0.0002658200000000, -0.0153644000000000 ] - [ 0.0000905200000000, 0.0000872000000000, 0.0004578000000000 ] - [ -0.0000491900000000, -0.0000853200000000, -0.0003663500000000 ] - [ -0.0000945100000000, 0.0000788200000000, 0.0001956700000000 ] - [ -0.0001979900000000, 0.0000624000000000, -0.0004399800000000 ] - [ -0.0002074700000000, -0.0002960500000000, -0.0000813300000000 ] - [ -0.0001037600000000, 0.0000137900000000, -0.0005973400000000 ] - [ -0.0001272100000000, -0.0000369800000000, 0.0004567400000000 ] - [ 0.0000243300000000, 0.0001251700000000, -0.0001587300000000 ] - [ 0.0002532400000000, 0.0001532500000000, 0.0000049200000000 ] - [ 0.0003760900000000, -0.0000058400000000, -0.0003100100000000 ] - [ -0.0000877900000000, 0.0000013000000000, 0.0000059700000000 ] - [ -0.0007289500000000, 0.0002476800000000, -0.0000267300000000 ] - [ 0.0000980600000000, -0.0001554000000000, 0.0006150000000000 ] - [ 0.0027305700000000, 0.0012388500000000, -0.0014364100000000 ] - [ -0.0002994200000000, 0.0000609800000000, 0.0002185900000000 ] - [ -0.0000648100000000, -0.0000982100000000, -0.0000338100000000 ] - [ -0.0003766900000000, 0.0002835500000000, 0.0003015900000000 ] - [ 0.0012082400000000, 0.0000583200000000, -0.0011499600000000 ] - [ 0.0001262000000000, -0.0000989400000000, 0.0004672300000000 ] - [ -0.0003338300000000, 0.0013994200000000, 0.0011104900000000 ] - [ 0.0001506300000000, 0.0028518300000000, 0.0028573200000000 ] - [ -0.0001500700000000, -0.0001453600000000, 0.0001718700000000 ] - [ 0.0004302300000000, -0.0022479700000000, 0.0006829300000000 ] - [ -0.0002109300000000, 0.0000532900000000, 0.0007235200000000 ] - [ -0.0004688400000000, -0.0012686300000000, -0.0019473100000000 ] - [ 0.0024644800000000, 0.0001645100000000, 0.0008284200000000 ] - [ -0.0007470200000000, -0.0005363100000000, 0.0017349200000000 ]- atom: 61 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ -0.0001290400000000, 0.0000932100000000, -0.0001798100000000 ] - [ 0.0001388400000000, 0.0001423500000000, -0.0000830500000000 ] - [ -0.0003652300000000, -0.0001451000000000, 0.0000324200000000 ] - [ -0.0000336900000000, -0.0001662700000000, -0.0000195900000000 ] - [ 0.0003147200000000, -0.0002398200000000, -0.0002813400000000 ] - [ -0.0000289800000000, 0.0002228000000000, 0.0003851700000000 ] - [ -0.0002046300000000, -0.0000852200000000, -0.0002505600000000 ] - [ -0.0000433900000000, 0.0001648900000000, 0.0002125600000000 ] - [ 0.0003385700000000, -0.0000949600000000, -0.0000119400000000 ] - [ -0.0001186500000000, 0.0001967800000000, -0.0000180100000000 ] - [ 0.0000561900000000, -0.0002270400000000, 0.0000614400000000 ] - [ -0.0000000200000000, 0.0000724200000000, 0.0001698700000000 ] - [ -0.0000855300000000, -0.0001354100000000, 0.0001086500000000 ] - [ 0.0000913300000000, 0.0000297100000000, 0.0002378600000000 ] - [ 0.0001468600000000, -0.0001859000000000, 0.0000232100000000 ] - [ 0.0000031800000000, 0.0001614900000000, 0.0001281500000000 ] - [ -0.0001714100000000, -0.0001546500000000, 0.0000336700000000 ] - [ 0.0001571800000000, 0.0002334100000000, 0.0001384900000000 ] - [ 0.0004554300000000, -0.0000728900000000, -0.0000134000000000 ] - [ -0.0000556600000000, -0.0000120500000000, 0.0003272100000000 ] - [ -0.0001699000000000, 0.0000241500000000, 0.0000964200000000 ] - [ 0.0001242000000000, 0.0001300500000000, 0.0001982100000000 ] - [ -0.0002400100000000, -0.0001409100000000, 0.0000230100000000 ] - [ -0.0001100200000000, 0.0003301300000000, 0.0000220600000000 ] - [ 0.0001318600000000, 0.0000628000000000, -0.0004486500000000 ] - [ -0.0000570200000000, 0.0001516200000000, 0.0000128500000000 ] - [ -0.0001504200000000, 0.0000524800000000, -0.0000748700000000 ] - [ -0.0000610700000000, 0.0001908900000000, 0.0002363600000000 ] - [ 0.0008774200000000, 0.0002716900000000, -0.0013700400000000 ] - [ 0.0000819900000000, -0.0000777000000000, 0.0001253400000000 ] - [ 0.0007075100000000, -0.0014628100000000, 0.0003449200000000 ] - [ -0.0000081000000000, 0.0000998900000000, 0.0005152800000000 ] - [ -0.0002884200000000, 0.0006000600000000, 0.0002594200000000 ] - [ -0.0006987800000000, 0.0027118600000000, -0.0038096800000000 ] - [ 0.0000957300000000, 0.0002824600000000, 0.0000098600000000 ] - [ 0.0000819600000000, -0.0000669600000000, 0.0001506800000000 ] - [ -0.0000176500000000, 0.0001706700000000, -0.0001380900000000 ] - [ -0.0002991900000000, 0.0003531400000000, 0.0002339200000000 ] - [ 0.0012484700000000, -0.0013620900000000, -0.0008488300000000 ] - [ -0.0000410900000000, 0.0001052900000000, 0.0001208700000000 ] - [ -0.0001296100000000, -0.0002339900000000, -0.0000650700000000 ] - [ -0.0000527900000000, -0.0000661300000000, 0.0002873300000000 ] - [ 0.0000438400000000, 0.0027675900000000, -0.0040441100000000 ] - [ 0.0001488400000000, -0.0001376500000000, 0.0000752800000000 ] - [ 0.0000766500000000, -0.0000025700000000, 0.0002283100000000 ] - [ 0.0027299500000000, -0.0003849600000000, -0.0018647800000000 ] - [ -0.0000148000000000, -0.0002526100000000, 0.0000917100000000 ] - [ 0.0000121400000000, -0.0002470200000000, -0.0000901000000000 ] - [ 0.0001968900000000, -0.0003415300000000, -0.0003385900000000 ] - [ 0.0001487000000000, 0.0000057900000000, 0.0001219500000000 ] - [ 0.0002874100000000, -0.0000575000000000, -0.0001168800000000 ] - [ 0.0001044600000000, -0.0000783600000000, 0.0002291000000000 ] - [ -0.0001200900000000, -0.0002389300000000, -0.0000956500000000 ] - [ -0.0000490800000000, -0.0000617900000000, 0.0003215500000000 ] - [ -0.0000293700000000, 0.0000450500000000, 0.0001721800000000 ] - [ -0.0002074900000000, 0.0000427500000000, -0.0002374800000000 ] - [ -0.0001706500000000, 0.0000078100000000, 0.0003726200000000 ] - [ -0.0005409100000000, -0.0005025700000000, -0.0010854100000000 ] - [ -0.0000224100000000, -0.0000005400000000, -0.0002826200000000 ] - [ -0.0000901400000000, -0.0002047500000000, 0.0002876600000000 ] - [ -0.0000265100000000, -0.0006915800000000, 0.0149967900000000 ] - [ 0.0000766000000000, 0.0002248900000000, -0.0006724200000000 ] - [ 0.0000118000000000, -0.0001153800000000, 0.0002227900000000 ] - [ 0.0000568500000000, 0.0001246800000000, -0.0003399500000000 ] - [ -0.0001487300000000, 0.0001537200000000, 0.0000598600000000 ] - [ -0.0001389600000000, 0.0000825300000000, -0.0002988200000000 ] - [ -0.0000919700000000, 0.0001433500000000, 0.0005683100000000 ] - [ -0.0000679900000000, -0.0001216200000000, -0.0004862000000000 ] - [ 0.0000432400000000, 0.0000177800000000, 0.0000362600000000 ] - [ -0.0001864200000000, -0.0002978500000000, -0.0001268600000000 ] - [ -0.0003407000000000, 0.0000401100000000, 0.0002422300000000 ] - [ 0.0001200700000000, -0.0000367700000000, -0.0000762800000000 ] - [ 0.0009196500000000, -0.0002715100000000, 0.0000608600000000 ] - [ 0.0001025900000000, 0.0001823500000000, -0.0005834900000000 ] - [ -0.0023980500000000, -0.0011764700000000, 0.0012320400000000 ] - [ 0.0006319600000000, -0.0001230200000000, -0.0004117400000000 ] - [ -0.0001264100000000, -0.0001594700000000, 0.0001392500000000 ] - [ 0.0001824800000000, -0.0000255900000000, -0.0001960500000000 ] - [ -0.0012015000000000, 0.0000909900000000, 0.0012061200000000 ] - [ -0.0001128000000000, -0.0000651500000000, -0.0004071400000000 ] - [ 0.0004946100000000, -0.0015073100000000, -0.0012003500000000 ] - [ 0.0000103500000000, -0.0027335100000000, -0.0029432400000000 ] - [ -0.0000507700000000, 0.0002089600000000, -0.0001169100000000 ] - [ -0.0006311700000000, 0.0021843900000000, -0.0006296500000000 ] - [ 0.0001453800000000, -0.0002507100000000, -0.0006468000000000 ] - [ 0.0004080800000000, 0.0014698800000000, 0.0020257700000000 ] - [ -0.0024471000000000, -0.0002037900000000, -0.0006858600000000 ] - [ 0.0007703200000000, 0.0005735800000000, -0.0015955300000000 ]- atom: 63 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0001167200000000, 0.0000568100000000, 0.0000575400000000 ] - [ 0.0001020800000000, -0.0001963700000000, -0.0002650300000000 ] - [ -0.0000296900000000, -0.0001048600000000, 0.0001511300000000 ] - [ -0.0000694600000000, 0.0000218600000000, -0.0000407600000000 ] - [ 0.0000254400000000, -0.0003528100000000, -0.0001024600000000 ] - [ 0.0000546000000000, 0.0002229500000000, 0.0001119700000000 ] - [ -0.0002638700000000, 0.0001910000000000, 0.0001970400000000 ] - [ -0.0001457000000000, 0.0000423700000000, -0.0000375600000000 ] - [ 0.0000246800000000, -0.0003088400000000, -0.0000766600000000 ] - [ -0.0000145200000000, 0.0004293000000000, -0.0000376100000000 ] - [ -0.0000020000000000, -0.0002564200000000, -0.0000553400000000 ] - [ -0.0002468700000000, -0.0000488100000000, 0.0004073700000000 ] - [ -0.0005482300000000, 0.0000339900000000, 0.0002335200000000 ] - [ -0.0002240100000000, 0.0000709300000000, 0.0000724200000000 ] - [ -0.0003612300000000, -0.0003056000000000, 0.0001503300000000 ] - [ -0.0001694600000000, 0.0002155900000000, 0.0001696900000000 ] - [ -0.0003616400000000, -0.0001877300000000, 0.0000350300000000 ] - [ -0.0002406400000000, 0.0001814300000000, 0.0000027100000000 ] - [ -0.0001665800000000, 0.0000364600000000, 0.0003248800000000 ] - [ -0.0001083300000000, -0.0000212100000000, 0.0003125100000000 ] - [ -0.0001707800000000, -0.0001155600000000, 0.0000483400000000 ] - [ -0.0001776100000000, 0.0001367700000000, -0.0000009800000000 ] - [ -0.0003502500000000, -0.0001973000000000, 0.0001064900000000 ] - [ -0.0005047500000000, 0.0002168100000000, -0.0000299200000000 ] - [ -0.0003070500000000, 0.0000280100000000, -0.0002065200000000 ] - [ -0.0000950900000000, 0.0001015100000000, -0.0000880900000000 ] - [ -0.0004144200000000, -0.0006172000000000, 0.0006788100000000 ] - [ -0.0001757400000000, 0.0000856300000000, -0.0004431200000000 ] - [ 0.0000882600000000, 0.0003515200000000, 0.0000460000000000 ] - [ 0.0000861800000000, -0.0000945400000000, -0.0000977800000000 ] - [ 0.0000061200000000, -0.0001952000000000, -0.0000057800000000 ] - [ 0.0000527600000000, 0.0001640600000000, -0.0000770700000000 ] - [ 0.0000522700000000, -0.0000242400000000, -0.0000119400000000 ] - [ 0.0000731100000000, 0.0000094400000000, -0.0000481600000000 ] - [ 0.0053908100000000, -0.0007049400000000, 0.0042232900000000 ] - [ 0.0000732300000000, -0.0001467700000000, 0.0002400500000000 ] - [ -0.0003812900000000, 0.0005820600000000, -0.0012525000000000 ] - [ 0.0002441000000000, 0.0000624300000000, -0.0003608900000000 ] - [ 0.0001873400000000, 0.0002566700000000, -0.0000252000000000 ] - [ 0.0000523100000000, -0.0000820700000000, 0.0001373000000000 ] - [ 0.0010364500000000, 0.0004339600000000, 0.0000986100000000 ] - [ 0.0004068600000000, 0.0000627400000000, -0.0002072300000000 ] - [ 0.0005636800000000, -0.0001335200000000, 0.0000338700000000 ] - [ 0.0005778600000000, 0.0002122100000000, 0.0001986000000000 ] - [ 0.0000776900000000, -0.0000095300000000, -0.0001304300000000 ] - [ 0.0002805600000000, 0.0003024200000000, -0.0001848600000000 ] - [ 0.0000868400000000, 0.0001221000000000, -0.0002449900000000 ] - [ 0.0008996200000000, 0.0012098700000000, -0.0014117200000000 ] - [ 0.0015846800000000, 0.0021649400000000, -0.0004732100000000 ] - [ 0.0002011700000000, 0.0001483100000000, 0.0001518500000000 ] - [ -0.0002150000000000, -0.0002536500000000, 0.0001709300000000 ] - [ -0.0000158300000000, 0.0000591100000000, 0.0001802900000000 ] - [ -0.0003486800000000, 0.0000681300000000, 0.0000317600000000 ] - [ -0.0002987100000000, -0.0000142600000000, 0.0000155500000000 ] - [ 0.0001907700000000, -0.0002071700000000, 0.0000068300000000 ] - [ 0.0011888800000000, -0.0005878100000000, -0.0005889700000000 ] - [ 0.0002717400000000, 0.0000791700000000, -0.0000656600000000 ] - [ 0.0002894500000000, 0.0000239600000000, -0.0001585500000000 ] - [ 0.0062654400000000, -0.0021446700000000, 0.0034241200000000 ] - [ -0.0000240500000000, -0.0001403800000000, 0.0000774500000000 ] - [ -0.0001976200000000, -0.0002397700000000, -0.0001370400000000 ] - [ -0.0001226700000000, 0.0001488700000000, -0.0001821100000000 ] - [ -0.0177899500000000, 0.0026302100000000, -0.0031060700000000 ] - [ -0.0003527100000000, 0.0001247400000000, -0.0000742100000000 ] - [ 0.0021007500000000, -0.0001791200000000, -0.0019377500000000 ] - [ -0.0000042500000000, -0.0000736900000000, -0.0000232500000000 ] - [ 0.0014931400000000, 0.0008146500000000, 0.0004332600000000 ] - [ 0.0001461300000000, 0.0001636000000000, -0.0002020400000000 ] - [ 0.0006320200000000, 0.0000711200000000, 0.0000471500000000 ] - [ 0.0005580300000000, -0.0000430900000000, -0.0001072300000000 ] - [ 0.0008135000000000, 0.0002170500000000, -0.0002045900000000 ] - [ 0.0005553700000000, -0.0001485700000000, 0.0000364300000000 ] - [ 0.0004943300000000, 0.0005268200000000, -0.0001524700000000 ] - [ 0.0002380400000000, 0.0000533800000000, 0.0002270000000000 ] - [ 0.0002770600000000, -0.0002045100000000, -0.0003385400000000 ] - [ 0.0002264700000000, 0.0000512100000000, -0.0000979700000000 ] - [ 0.0009897000000000, 0.0003376200000000, -0.0015287600000000 ] - [ 0.0005886200000000, -0.0003479000000000, 0.0022434000000000 ] - [ 0.0008671000000000, -0.0025326700000000, -0.0002000200000000 ] - [ -0.0000732100000000, -0.0000955800000000, -0.0000006400000000 ] - [ 0.0000760800000000, 0.0007278500000000, -0.0002853800000000 ] - [ -0.0005275700000000, 0.0000501000000000, -0.0000194900000000 ] - [ -0.0012602200000000, -0.0013388400000000, -0.0001913000000000 ] - [ -0.0021005800000000, 0.0003393100000000, 0.0013348200000000 ] - [ -0.0002572800000000, -0.0000604600000000, 0.0000685900000000 ] - [ -0.0011394000000000, -0.0016496300000000, -0.0010423400000000 ] - [ -0.0001389600000000, -0.0000182000000000, 0.0000071400000000 ] - [ -0.0002121300000000, -0.0002575600000000, 0.0000661600000000 ]- atom: 63 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000265200000000, -0.0000757200000000, -0.0001944700000000 ] - [ 0.0000402700000000, 0.0002167900000000, 0.0001288200000000 ] - [ -0.0002286200000000, 0.0002771900000000, -0.0000823600000000 ] - [ -0.0001895300000000, -0.0001937800000000, 0.0001087700000000 ] - [ 0.0000966400000000, 0.0000185200000000, 0.0000745900000000 ] - [ 0.0000674800000000, 0.0001112900000000, -0.0001399900000000 ] - [ 0.0000854200000000, -0.0003588800000000, -0.0001842600000000 ] - [ -0.0000323600000000, 0.0001258700000000, 0.0000506900000000 ] - [ 0.0001161300000000, -0.0002662500000000, -0.0000444700000000 ] - [ 0.0001551600000000, 0.0001456700000000, -0.0000836300000000 ] - [ 0.0000537500000000, -0.0000148700000000, 0.0003039000000000 ] - [ 0.0002988200000000, 0.0003221500000000, -0.0001593700000000 ] - [ 0.0004375400000000, -0.0002049800000000, 0.0000704700000000 ] - [ 0.0001148200000000, 0.0001006300000000, 0.0002313500000000 ] - [ 0.0004335600000000, -0.0000531400000000, 0.0000187600000000 ] - [ 0.0002432200000000, 0.0001428900000000, -0.0000007500000000 ] - [ 0.0003331100000000, -0.0002180500000000, 0.0000997900000000 ] - [ 0.0002124900000000, 0.0002238800000000, 0.0001313200000000 ] - [ 0.0002983800000000, -0.0000398100000000, 0.0001631100000000 ] - [ 0.0002398300000000, 0.0000247200000000, 0.0001753700000000 ] - [ -0.0000009000000000, 0.0001388800000000, 0.0000964700000000 ] - [ 0.0000062900000000, -0.0001609400000000, 0.0001457300000000 ] - [ -0.0000476300000000, -0.0002074200000000, -0.0000697200000000 ] - [ 0.0001067100000000, 0.0001873400000000, 0.0000663700000000 ] - [ 0.0002767000000000, -0.0001879200000000, -0.0000626700000000 ] - [ 0.0000650500000000, 0.0000588700000000, -0.0001805900000000 ] - [ 0.0002455900000000, 0.0003849700000000, -0.0006080200000000 ] - [ 0.0000111800000000, 0.0001406600000000, 0.0005058400000000 ] - [ 0.0000441600000000, -0.0002575400000000, -0.0003570700000000 ] - [ 0.0000463300000000, 0.0000009500000000, -0.0002140600000000 ] - [ -0.0000643600000000, 0.0000218100000000, 0.0000432200000000 ] - [ -0.0001122500000000, 0.0000090300000000, 0.0001142200000000 ] - [ -0.0000567400000000, 0.0002411700000000, -0.0001091800000000 ] - [ -0.0000771300000000, -0.0002243900000000, -0.0000717700000000 ] - [ -0.0050973200000000, 0.0008668400000000, -0.0038940500000000 ] - [ 0.0000255600000000, -0.0001200100000000, -0.0001102400000000 ] - [ 0.0003067800000000, -0.0005817600000000, 0.0010197500000000 ] - [ -0.0003129400000000, -0.0000544200000000, 0.0001338900000000 ] - [ -0.0003216000000000, -0.0003157000000000, -0.0000358400000000 ] - [ -0.0001878600000000, 0.0001415600000000, -0.0002005100000000 ] - [ -0.0011255400000000, -0.0005176500000000, -0.0001308900000000 ] - [ -0.0004820100000000, 0.0000120000000000, 0.0001774400000000 ] - [ -0.0000557500000000, 0.0000635500000000, -0.0000291300000000 ] - [ -0.0000705200000000, -0.0001409900000000, -0.0001932000000000 ] - [ -0.0000743900000000, 0.0001063300000000, -0.0000234900000000 ] - [ -0.0002784800000000, -0.0003993800000000, 0.0000315800000000 ] - [ -0.0000025900000000, 0.0002910400000000, 0.0001192800000000 ] - [ -0.0008361700000000, -0.0016231700000000, 0.0013317400000000 ] - [ -0.0013418200000000, -0.0024533800000000, 0.0003671500000000 ] - [ 0.0000822700000000, 0.0000588000000000, -0.0002264800000000 ] - [ 0.0005334900000000, 0.0002291100000000, -0.0000087500000000 ] - [ 0.0003335500000000, -0.0000344500000000, -0.0000179700000000 ] - [ 0.0000725300000000, -0.0001395900000000, 0.0001937100000000 ] - [ 0.0000223300000000, 0.0000856200000000, 0.0002097500000000 ] - [ -0.0003003200000000, 0.0001042200000000, 0.0000017500000000 ] - [ -0.0012747400000000, 0.0006617400000000, 0.0005687200000000 ] - [ -0.0001344000000000, -0.0001427200000000, 0.0000459200000000 ] - [ -0.0001526200000000, 0.0000392500000000, 0.0001391000000000 ] - [ -0.0065976600000000, 0.0025789600000000, -0.0032630500000000 ] - [ -0.0000810500000000, -0.0001665400000000, 0.0001546800000000 ] - [ 0.0003683100000000, -0.0000711300000000, -0.0000749800000000 ] - [ 0.0002934800000000, 0.0001609600000000, -0.0000303600000000 ] - [ 0.0177839500000000, -0.0027294700000000, 0.0028716100000000 ] - [ 0.0003129900000000, 0.0000770200000000, -0.0000710200000000 ] - [ -0.0024376800000000, 0.0003968300000000, 0.0015692500000000 ] - [ -0.0003236500000000, -0.0001411300000000, -0.0003580600000000 ] - [ -0.0016772900000000, -0.0006588900000000, -0.0004666800000000 ] - [ -0.0003326100000000, -0.0003225000000000, 0.0001709300000000 ] - [ -0.0005593900000000, 0.0000708500000000, -0.0001726200000000 ] - [ -0.0004859700000000, -0.0001018600000000, -0.0000174400000000 ] - [ -0.0007839400000000, -0.0001821400000000, 0.0001379100000000 ] - [ -0.0005265400000000, 0.0001127700000000, -0.0001052400000000 ] - [ -0.0002972200000000, -0.0005502100000000, 0.0001801300000000 ] - [ -0.0000417200000000, -0.0000231600000000, -0.0001959500000000 ] - [ 0.0000396800000000, 0.0002662700000000, 0.0001433700000000 ] - [ 0.0000910200000000, -0.0001136300000000, -0.0000971100000000 ] - [ -0.0011898400000000, -0.0005896900000000, 0.0016170300000000 ] - [ -0.0007813600000000, 0.0006001700000000, -0.0021440700000000 ] - [ -0.0008549700000000, 0.0026862400000000, 0.0002659800000000 ] - [ 0.0000867300000000, -0.0000643800000000, 0.0000673500000000 ] - [ 0.0000803300000000, -0.0008365200000000, 0.0001823400000000 ] - [ 0.0006869500000000, 0.0000487800000000, -0.0000879900000000 ] - [ 0.0010589300000000, 0.0013993700000000, 0.0002272500000000 ] - [ 0.0018933500000000, -0.0004013400000000, -0.0012855600000000 ] - [ 0.0001984200000000, -0.0001314200000000, 0.0000101300000000 ] - [ 0.0010905700000000, 0.0018430700000000, 0.0011251800000000 ] - [ 0.0001694900000000, -0.0000173300000000, 0.0001356300000000 ] - [ 0.0002436000000000, 0.0002936100000000, 0.0000756900000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001898600000000, 0.0000826500000000, 0.0001122300000000 ] - [ -0.0001597200000000, 0.0000478900000000, 0.0001079700000000 ] - [ -0.0002111500000000, 0.0001538000000000, -0.0000627200000000 ] - [ 0.0000078400000000, -0.0000439300000000, -0.0000402100000000 ] - [ 0.0000213000000000, -0.0004406400000000, -0.0000345800000000 ] - [ 0.0000758900000000, 0.0001143000000000, -0.0001501300000000 ] - [ 0.0001908600000000, -0.0003511700000000, 0.0002223200000000 ] - [ -0.0001568200000000, -0.0000055500000000, -0.0001281300000000 ] - [ -0.0000073500000000, -0.0004948800000000, -0.0000484100000000 ] - [ 0.0001561800000000, 0.0000916500000000, -0.0000824200000000 ] - [ -0.0001776300000000, 0.0002039800000000, 0.0000947200000000 ] - [ 0.0001562700000000, 0.0004390800000000, -0.0000033800000000 ] - [ 0.0000865100000000, -0.0001158600000000, 0.0000432100000000 ] - [ -0.0001273600000000, 0.0001379900000000, 0.0001172900000000 ] - [ -0.0004061100000000, -0.0003060800000000, 0.0001175500000000 ] - [ 0.0001619200000000, 0.0001628000000000, 0.0000306900000000 ] - [ -0.0000107100000000, -0.0002006600000000, 0.0001179700000000 ] - [ 0.0000590100000000, 0.0002028600000000, 0.0001077800000000 ] - [ 0.0001368300000000, -0.0000673100000000, 0.0002195700000000 ] - [ 0.0000067300000000, -0.0000378800000000, 0.0002795200000000 ] - [ -0.0001580900000000, -0.0001518200000000, 0.0000762100000000 ] - [ -0.0000109000000000, -0.0001802800000000, 0.0001118900000000 ] - [ -0.0003843800000000, 0.0002501500000000, 0.0000302000000000 ] - [ -0.0000074100000000, 0.0003079600000000, 0.0000974100000000 ] - [ 0.0001551000000000, -0.0001237100000000, -0.0000903200000000 ] - [ -0.0000649600000000, 0.0001321900000000, -0.0000788900000000 ] - [ -0.0002950700000000, -0.0001738400000000, 0.0002189200000000 ] - [ -0.0000417000000000, 0.0001488500000000, 0.0002020900000000 ] - [ 0.0001290400000000, -0.0001338100000000, -0.0001865100000000 ] - [ 0.0000525200000000, -0.0000973700000000, -0.0001225300000000 ] - [ -0.0001598500000000, -0.0001837500000000, 0.0000972800000000 ] - [ -0.0000812800000000, -0.0000420900000000, 0.0001512500000000 ] - [ 0.0000803300000000, -0.0002714900000000, 0.0000745800000000 ] - [ -0.0000332600000000, -0.0003993800000000, -0.0000799200000000 ] - [ -0.0020517900000000, -0.0000688000000000, -0.0012443000000000 ] - [ 0.0000728000000000, 0.0001768100000000, 0.0001865300000000 ] - [ -0.0002822500000000, 0.0016275500000000, -0.0029306900000000 ] - [ -0.0000420400000000, 0.0000206200000000, 0.0000007100000000 ] - [ 0.0003714000000000, -0.0003696300000000, 0.0002521400000000 ] - [ -0.0001298100000000, -0.0000565500000000, 0.0001412800000000 ] - [ 0.0026434900000000, 0.0028299100000000, 0.0001093700000000 ] - [ 0.0001304400000000, 0.0000307600000000, -0.0002901000000000 ] - [ 0.0002131000000000, -0.0003347400000000, -0.0000523300000000 ] - [ 0.0003302000000000, -0.0001524400000000, -0.0002549400000000 ] - [ 0.0001011700000000, -0.0001588800000000, -0.0001293600000000 ] - [ 0.0000120700000000, -0.0005096600000000, -0.0001226500000000 ] - [ 0.0000313400000000, 0.0004721400000000, -0.0003286500000000 ] - [ 0.0002629800000000, 0.0008884100000000, -0.0006627100000000 ] - [ 0.0020183400000000, 0.0027245700000000, -0.0003647100000000 ] - [ 0.0000202600000000, 0.0003857700000000, -0.0004237800000000 ] - [ 0.0001914200000000, 0.0002396800000000, 0.0002280300000000 ] - [ 0.0000934400000000, 0.0002213800000000, -0.0000226800000000 ] - [ -0.0000291300000000, -0.0002288000000000, 0.0000580800000000 ] - [ -0.0002253500000000, -0.0001376700000000, 0.0001798800000000 ] - [ -0.0002204500000000, 0.0001769600000000, -0.0000115300000000 ] - [ -0.0006379000000000, 0.0012547100000000, 0.0006874200000000 ] - [ -0.0000180000000000, -0.0002268000000000, -0.0000628400000000 ] - [ 0.0001603500000000, -0.0002770900000000, 0.0001541100000000 ] - [ -0.0030119700000000, 0.0009921000000000, -0.0014023000000000 ] - [ -0.0000397100000000, -0.0001179200000000, 0.0000415600000000 ] - [ 0.0001484500000000, 0.0004037500000000, -0.0000923100000000 ] - [ 0.0000851000000000, 0.0004166900000000, -0.0000836200000000 ] - [ 0.0026952600000000, -0.0129257100000000, 0.0022171300000000 ] - [ -0.0000430800000000, -0.0001744000000000, -0.0000261500000000 ] - [ -0.0000946300000000, -0.0008551700000000, 0.0006876400000000 ] - [ -0.0000981300000000, -0.0007145500000000, -0.0002642600000000 ] - [ 0.0019800800000000, 0.0006431000000000, 0.0003977300000000 ] - [ -0.0000709300000000, -0.0003570700000000, 0.0002649300000000 ] - [ -0.0001148200000000, 0.0003555700000000, -0.0003294400000000 ] - [ 0.0002243300000000, 0.0000539800000000, -0.0000974300000000 ] - [ -0.0000616900000000, -0.0000712200000000, -0.0000074300000000 ] - [ 0.0000714900000000, -0.0002947700000000, -0.0000990800000000 ] - [ 0.0002382700000000, 0.0002541000000000, -0.0000121800000000 ] - [ 0.0000627600000000, 0.0000670600000000, -0.0000944100000000 ] - [ 0.0001380300000000, 0.0005356100000000, 0.0000500100000000 ] - [ 0.0001354500000000, 0.0004924600000000, -0.0001244100000000 ] - [ 0.0011459700000000, -0.0021565100000000, -0.0003788800000000 ] - [ -0.0004066700000000, 0.0001606000000000, -0.0008321100000000 ] - [ -0.0014166700000000, 0.0013598500000000, -0.0004236900000000 ] - [ -0.0000861300000000, -0.0002382600000000, -0.0000110200000000 ] - [ 0.0006020500000000, 0.0016938500000000, -0.0008082600000000 ] - [ 0.0000021500000000, 0.0003694600000000, -0.0005119200000000 ] - [ -0.0014406200000000, -0.0011894200000000, 0.0027725900000000 ] - [ -0.0002533900000000, 0.0007739300000000, 0.0024862400000000 ] - [ -0.0002122800000000, -0.0000326100000000, 0.0002120400000000 ] - [ -0.0023922100000000, 0.0021587000000000, -0.0001211200000000 ] - [ -0.0001435200000000, 0.0006531400000000, -0.0001018100000000 ] - [ 0.0001685400000000, 0.0005608200000000, 0.0000732400000000 ]- atom: 63 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000518900000000, -0.0001030700000000, -0.0002477400000000 ] - [ 0.0002971100000000, -0.0000272300000000, -0.0002413500000000 ] - [ -0.0000456100000000, 0.0000196200000000, 0.0001344300000000 ] - [ -0.0002653300000000, -0.0001275800000000, 0.0001114200000000 ] - [ 0.0001005200000000, 0.0000997500000000, 0.0000099000000000 ] - [ 0.0000456200000000, 0.0002283400000000, 0.0001250300000000 ] - [ -0.0003675700000000, 0.0001847300000000, -0.0002075000000000 ] - [ -0.0000205100000000, 0.0001729200000000, 0.0001396700000000 ] - [ 0.0001438700000000, -0.0000815300000000, -0.0000718900000000 ] - [ -0.0000194700000000, 0.0004849300000000, -0.0000383800000000 ] - [ 0.0002267900000000, -0.0004726200000000, 0.0001553200000000 ] - [ -0.0001092900000000, -0.0001691000000000, 0.0002536100000000 ] - [ -0.0001949100000000, -0.0000550200000000, 0.0002587400000000 ] - [ 0.0000199400000000, 0.0000353500000000, 0.0001841900000000 ] - [ 0.0004793300000000, -0.0000522400000000, 0.0000567700000000 ] - [ -0.0000889000000000, 0.0001971600000000, 0.0001429900000000 ] - [ -0.0000122000000000, -0.0002050100000000, 0.0000225300000000 ] - [ -0.0000820600000000, 0.0002035600000000, 0.0000330900000000 ] - [ -0.0000042000000000, 0.0000609900000000, 0.0002641300000000 ] - [ 0.0001255600000000, 0.0000446200000000, 0.0002037400000000 ] - [ -0.0000103800000000, 0.0001779800000000, 0.0000698400000000 ] - [ -0.0001577500000000, 0.0001556000000000, 0.0000340700000000 ] - [ -0.0000102500000000, -0.0006549600000000, 0.0000071400000000 ] - [ -0.0003854600000000, 0.0000983600000000, -0.0000599100000000 ] - [ -0.0001844200000000, -0.0000348400000000, -0.0001789100000000 ] - [ 0.0000349100000000, 0.0000274300000000, -0.0001897700000000 ] - [ 0.0001297500000000, -0.0000573400000000, -0.0001542400000000 ] - [ -0.0001226900000000, 0.0000841000000000, -0.0001348200000000 ] - [ -0.0000028500000000, 0.0002187000000000, -0.0001259300000000 ] - [ 0.0000749500000000, 0.0000116500000000, -0.0001887900000000 ] - [ 0.0000952600000000, 0.0000173100000000, -0.0000597400000000 ] - [ 0.0000169200000000, 0.0002099600000000, -0.0001160700000000 ] - [ -0.0000933100000000, 0.0004905800000000, -0.0002011100000000 ] - [ 0.0000195900000000, 0.0001842300000000, -0.0000460200000000 ] - [ 0.0021629500000000, 0.0003425200000000, 0.0013866700000000 ] - [ 0.0000202600000000, -0.0004421800000000, -0.0000588500000000 ] - [ 0.0002467500000000, -0.0015897400000000, 0.0026116400000000 ] - [ -0.0000271800000000, -0.0000132200000000, -0.0002228200000000 ] - [ -0.0005141300000000, 0.0003097300000000, -0.0003264500000000 ] - [ -0.0000068600000000, 0.0001211600000000, -0.0002139500000000 ] - [ -0.0027005300000000, -0.0027340900000000, -0.0000646000000000 ] - [ -0.0002111400000000, 0.0000471400000000, 0.0002550800000000 ] - [ 0.0002890700000000, 0.0002650500000000, 0.0000590000000000 ] - [ 0.0001732700000000, 0.0002243900000000, 0.0002605200000000 ] - [ -0.0000932900000000, 0.0002593100000000, -0.0000274100000000 ] - [ -0.0000036900000000, 0.0004113300000000, -0.0000343800000000 ] - [ 0.0000615700000000, -0.0000561000000000, 0.0001982900000000 ] - [ -0.0001666200000000, -0.0012893200000000, 0.0005215000000000 ] - [ -0.0018568900000000, -0.0030492800000000, 0.0002266200000000 ] - [ 0.0002657900000000, -0.0001817500000000, 0.0003458100000000 ] - [ 0.0001239000000000, -0.0002611500000000, -0.0000683400000000 ] - [ 0.0002214400000000, -0.0001990900000000, 0.0001831400000000 ] - [ -0.0002445000000000, 0.0001618300000000, 0.0001649000000000 ] - [ -0.0000484300000000, 0.0002059900000000, 0.0000426500000000 ] - [ 0.0001063200000000, -0.0002815700000000, 0.0000239600000000 ] - [ 0.0005536700000000, -0.0011751800000000, -0.0007071200000000 ] - [ 0.0001581200000000, 0.0001599700000000, 0.0000470900000000 ] - [ -0.0000206600000000, 0.0003447600000000, -0.0001689100000000 ] - [ 0.0028719600000000, -0.0006847000000000, 0.0016329300000000 ] - [ -0.0000625000000000, -0.0001856300000000, 0.0001937200000000 ] - [ 0.0000193800000000, -0.0007167100000000, -0.0001224400000000 ] - [ 0.0000828700000000, -0.0001039600000000, -0.0001303300000000 ] - [ -0.0026571000000000, 0.0125869400000000, -0.0022552200000000 ] - [ 0.0000051900000000, 0.0003783000000000, -0.0001186300000000 ] - [ -0.0002408600000000, 0.0010666200000000, -0.0010716200000000 ] - [ -0.0002482600000000, 0.0005011900000000, -0.0001159600000000 ] - [ -0.0021782500000000, -0.0004876100000000, -0.0004308800000000 ] - [ -0.0001237500000000, 0.0001987900000000, -0.0002948100000000 ] - [ 0.0001824400000000, -0.0002126200000000, 0.0002035000000000 ] - [ -0.0001584400000000, -0.0001964400000000, -0.0000262800000000 ] - [ 0.0000959500000000, 0.0001062700000000, -0.0000622100000000 ] - [ -0.0000389800000000, 0.0002601900000000, 0.0000283800000000 ] - [ -0.0000365600000000, -0.0002823600000000, 0.0000433800000000 ] - [ 0.0001373600000000, -0.0000392900000000, 0.0001250000000000 ] - [ 0.0001887700000000, -0.0004786400000000, -0.0002400200000000 ] - [ 0.0001915700000000, -0.0005498700000000, -0.0000671700000000 ] - [ -0.0013383500000000, 0.0018989400000000, 0.0004878800000000 ] - [ 0.0002115600000000, 0.0001001100000000, 0.0009256900000000 ] - [ 0.0014397400000000, -0.0011878200000000, 0.0004887500000000 ] - [ 0.0000996600000000, 0.0000744800000000, 0.0000708800000000 ] - [ -0.0004438900000000, -0.0017932800000000, 0.0007081700000000 ] - [ 0.0001608200000000, -0.0002736800000000, 0.0004189600000000 ] - [ 0.0012328100000000, 0.0012393700000000, -0.0027063500000000 ] - [ 0.0000562900000000, -0.0008385400000000, -0.0024371600000000 ] - [ 0.0001468500000000, -0.0001646200000000, -0.0001360000000000 ] - [ 0.0023097100000000, -0.0019506700000000, 0.0001953300000000 ] - [ 0.0001666300000000, -0.0006902900000000, 0.0002443300000000 ] - [ -0.0001429000000000, -0.0005223000000000, 0.0000696800000000 ]- atom: 63 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0001638700000000, 0.0000583700000000, -0.0000030200000000 ] - [ -0.0001672700000000, 0.0002250000000000, -0.0000928700000000 ] - [ -0.0000554400000000, -0.0000514300000000, 0.0000723400000000 ] - [ -0.0003066300000000, -0.0001995400000000, 0.0001244400000000 ] - [ -0.0000011800000000, -0.0003187800000000, 0.0000767100000000 ] - [ 0.0000792000000000, 0.0001077500000000, -0.0001896300000000 ] - [ -0.0000045500000000, -0.0001317500000000, 0.0003399500000000 ] - [ -0.0001142500000000, 0.0000292600000000, -0.0001343100000000 ] - [ 0.0000319700000000, -0.0003382500000000, -0.0000654600000000 ] - [ 0.0001469900000000, 0.0001793300000000, -0.0000592100000000 ] - [ -0.0000265800000000, -0.0001076300000000, 0.0001060300000000 ] - [ 0.0001753300000000, 0.0000212000000000, 0.0000297100000000 ] - [ 0.0002381800000000, 0.0000204400000000, 0.0004678800000000 ] - [ -0.0001407100000000, 0.0001076500000000, 0.0000737000000000 ] - [ -0.0001094900000000, -0.0002217300000000, 0.0001165000000000 ] - [ 0.0001807600000000, 0.0001597400000000, 0.0000320300000000 ] - [ 0.0000985300000000, -0.0002037100000000, 0.0001293300000000 ] - [ -0.0000631800000000, 0.0002129300000000, 0.0000252900000000 ] - [ 0.0000088700000000, 0.0000419700000000, 0.0002898600000000 ] - [ 0.0002128400000000, 0.0000580000000000, 0.0001559800000000 ] - [ -0.0000418100000000, 0.0000922100000000, 0.0001322900000000 ] - [ -0.0001276800000000, 0.0000537400000000, 0.0000228800000000 ] - [ 0.0000569400000000, -0.0003811700000000, -0.0000368000000000 ] - [ -0.0004056800000000, 0.0002889200000000, -0.0000287200000000 ] - [ -0.0001481000000000, -0.0000751000000000, 0.0001529900000000 ] - [ 0.0000348100000000, -0.0000052600000000, -0.0003476900000000 ] - [ 0.0001711000000000, -0.0000400700000000, 0.0002950800000000 ] - [ -0.0001766900000000, 0.0000557100000000, -0.0003730300000000 ] - [ 0.0000999700000000, 0.0002753400000000, 0.0002854400000000 ] - [ 0.0000279200000000, 0.0000327300000000, -0.0003440200000000 ] - [ 0.0000019000000000, 0.0001551900000000, 0.0003120100000000 ] - [ -0.0000209000000000, 0.0001836000000000, -0.0001462800000000 ] - [ -0.0000733500000000, 0.0005408600000000, -0.0002183000000000 ] - [ -0.0000291800000000, -0.0000659500000000, -0.0000417400000000 ] - [ 0.0042629300000000, -0.0001451000000000, 0.0027087200000000 ] - [ 0.0000991800000000, -0.0001006300000000, -0.0002595300000000 ] - [ -0.0000092800000000, -0.0023542600000000, 0.0034086900000000 ] - [ -0.0001057100000000, 0.0001713200000000, -0.0002102600000000 ] - [ -0.0001626700000000, 0.0001798600000000, 0.0000057500000000 ] - [ -0.0000881700000000, 0.0001335600000000, -0.0003228200000000 ] - [ 0.0012134600000000, 0.0007109200000000, 0.0005805500000000 ] - [ -0.0000355200000000, -0.0000219900000000, -0.0001734700000000 ] - [ 0.0002238900000000, -0.0001945500000000, 0.0000137700000000 ] - [ 0.0000141200000000, -0.0002753300000000, -0.0003219700000000 ] - [ 0.0000120500000000, 0.0000227600000000, -0.0001459000000000 ] - [ 0.0000826900000000, -0.0001265900000000, -0.0000448100000000 ] - [ -0.0002324800000000, -0.0001710100000000, -0.0003436500000000 ] - [ -0.0004613900000000, -0.0028380400000000, 0.0032819500000000 ] - [ 0.0006594000000000, 0.0009728300000000, -0.0003280900000000 ] - [ 0.0001701100000000, 0.0000798300000000, -0.0004956900000000 ] - [ 0.0001560800000000, 0.0001525200000000, 0.0002692400000000 ] - [ 0.0002511800000000, 0.0000808600000000, -0.0000973300000000 ] - [ -0.0000376400000000, 0.0000344600000000, 0.0003063600000000 ] - [ -0.0001814200000000, 0.0001390100000000, -0.0000427000000000 ] - [ -0.0002834500000000, -0.0001352400000000, -0.0004142400000000 ] - [ -0.0007480400000000, 0.0006115800000000, 0.0012698900000000 ] - [ 0.0001019100000000, -0.0000994700000000, -0.0001559800000000 ] - [ -0.0000830800000000, 0.0000330500000000, 0.0002071900000000 ] - [ 0.0021143300000000, -0.0006301900000000, 0.0014185100000000 ] - [ -0.0000581000000000, -0.0001733500000000, -0.0000784300000000 ] - [ 0.0001024400000000, -0.0001690000000000, -0.0004010200000000 ] - [ 0.0001619900000000, 0.0001134400000000, 0.0001613900000000 ] - [ -0.0030487000000000, 0.0020995900000000, -0.0148545300000000 ] - [ -0.0000220400000000, 0.0000544900000000, 0.0004260800000000 ] - [ -0.0024834000000000, 0.0012915300000000, -0.0017780000000000 ] - [ 0.0001723200000000, -0.0000291400000000, 0.0000987900000000 ] - [ 0.0006696200000000, 0.0003002800000000, -0.0000218600000000 ] - [ -0.0000691400000000, -0.0002615300000000, 0.0005001100000000 ] - [ -0.0002811100000000, 0.0000091900000000, -0.0003387400000000 ] - [ 0.0001018500000000, -0.0000601200000000, -0.0000357400000000 ] - [ 0.0000555200000000, 0.0000824800000000, -0.0001663500000000 ] - [ -0.0002200900000000, 0.0002177200000000, 0.0000561500000000 ] - [ 0.0001072500000000, -0.0000861400000000, -0.0005802400000000 ] - [ 0.0001457700000000, 0.0000615900000000, 0.0005098500000000 ] - [ 0.0002127700000000, -0.0000485000000000, -0.0003314400000000 ] - [ 0.0001748400000000, -0.0002381100000000, -0.0000067000000000 ] - [ -0.0025153800000000, -0.0000472100000000, 0.0008468900000000 ] - [ 0.0007100100000000, -0.0004321700000000, 0.0018281800000000 ] - [ 0.0003930100000000, -0.0013322000000000, -0.0020744100000000 ] - [ 0.0002130700000000, 0.0001178800000000, 0.0007519400000000 ] - [ -0.0003824400000000, -0.0021856700000000, 0.0005466300000000 ] - [ 0.0001000200000000, -0.0001253500000000, 0.0001127900000000 ] - [ -0.0002275900000000, 0.0027688500000000, 0.0028151000000000 ] - [ 0.0004142100000000, 0.0012647500000000, 0.0011772200000000 ] - [ -0.0001101200000000, -0.0001765100000000, 0.0004421900000000 ] - [ -0.0012480300000000, -0.0001309600000000, -0.0011763100000000 ] - [ 0.0000010600000000, 0.0000067900000000, -0.0000105600000000 ] - [ 0.0002813400000000, 0.0001176300000000, 0.0003074800000000 ]- atom: 63 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ -0.0000247000000000, -0.0000781900000000, -0.0001333100000000 ] - [ 0.0003062500000000, -0.0002038500000000, -0.0000444300000000 ] - [ -0.0002025700000000, 0.0002242000000000, -0.0000041800000000 ] - [ 0.0000491600000000, 0.0000277400000000, -0.0000559300000000 ] - [ 0.0001227800000000, -0.0000196300000000, -0.0001040700000000 ] - [ 0.0000422200000000, 0.0002301600000000, 0.0001622900000000 ] - [ -0.0001743100000000, -0.0000349500000000, -0.0003277000000000 ] - [ -0.0000641000000000, 0.0001381800000000, 0.0001449600000000 ] - [ 0.0001064400000000, -0.0002378500000000, -0.0000563600000000 ] - [ -0.0000083500000000, 0.0003958800000000, -0.0000628600000000 ] - [ 0.0000771600000000, -0.0001633700000000, 0.0001400600000000 ] - [ -0.0001249800000000, 0.0002493100000000, 0.0002179700000000 ] - [ -0.0003450400000000, -0.0001915300000000, -0.0001641900000000 ] - [ 0.0000327500000000, 0.0000645600000000, 0.0002283100000000 ] - [ 0.0001803600000000, -0.0001373300000000, 0.0000542500000000 ] - [ -0.0001076700000000, 0.0001991600000000, 0.0001384700000000 ] - [ -0.0001244200000000, -0.0002020700000000, 0.0000066400000000 ] - [ 0.0000375500000000, 0.0001928800000000, 0.0001113800000000 ] - [ 0.0001232800000000, -0.0000470600000000, 0.0001949800000000 ] - [ -0.0000814500000000, -0.0000534100000000, 0.0003284800000000 ] - [ -0.0001281600000000, -0.0000672700000000, 0.0000119400000000 ] - [ -0.0000423100000000, -0.0000784200000000, 0.0001215500000000 ] - [ -0.0004544900000000, -0.0000221500000000, 0.0000723100000000 ] - [ 0.0000096800000000, 0.0001160800000000, 0.0000648000000000 ] - [ 0.0001174000000000, -0.0000838100000000, -0.0004238500000000 ] - [ -0.0000652400000000, 0.0001647800000000, 0.0000775500000000 ] - [ -0.0003362100000000, -0.0001881300000000, -0.0002347600000000 ] - [ 0.0000120000000000, 0.0001738900000000, 0.0004382700000000 ] - [ 0.0000289500000000, -0.0001859000000000, -0.0005986900000000 ] - [ 0.0001017400000000, -0.0001224200000000, 0.0000314500000000 ] - [ -0.0000646000000000, -0.0003256500000000, -0.0002766500000000 ] - [ -0.0000420700000000, -0.0000144100000000, 0.0001824900000000 ] - [ 0.0000642300000000, -0.0003252000000000, 0.0000935100000000 ] - [ 0.0000200800000000, -0.0001494000000000, -0.0000822900000000 ] - [ -0.0040378900000000, 0.0003592500000000, -0.0025269500000000 ] - [ -0.0000053300000000, -0.0001667800000000, 0.0003860200000000 ] - [ 0.0000058900000000, 0.0024935800000000, -0.0037817600000000 ] - [ 0.0000341800000000, -0.0001622100000000, -0.0000135000000000 ] - [ 0.0000265500000000, -0.0002414400000000, -0.0000725700000000 ] - [ -0.0000482400000000, -0.0000715700000000, 0.0002538800000000 ] - [ -0.0012948000000000, -0.0007592000000000, -0.0006020600000000 ] - [ -0.0000410100000000, 0.0000991700000000, 0.0001382000000000 ] - [ 0.0002809600000000, 0.0001234000000000, -0.0000092900000000 ] - [ 0.0004900200000000, 0.0003467300000000, 0.0003271500000000 ] - [ -0.0000058500000000, 0.0000749000000000, -0.0000113900000000 ] - [ -0.0000768400000000, 0.0000302400000000, -0.0001118500000000 ] - [ 0.0003248100000000, 0.0005925400000000, 0.0002165900000000 ] - [ 0.0004461100000000, 0.0024004100000000, -0.0032371300000000 ] - [ -0.0003837100000000, -0.0011856600000000, 0.0002531700000000 ] - [ 0.0001154000000000, 0.0001230100000000, 0.0004204400000000 ] - [ 0.0001602400000000, -0.0001750400000000, -0.0001088600000000 ] - [ 0.0000647300000000, -0.0000575300000000, 0.0002574200000000 ] - [ -0.0002373000000000, -0.0001039500000000, -0.0000834000000000 ] - [ -0.0000940100000000, -0.0000698600000000, 0.0002656700000000 ] - [ 0.0001709900000000, 0.0000316700000000, 0.0004221100000000 ] - [ 0.0006681500000000, -0.0005399200000000, -0.0012894400000000 ] - [ 0.0000356700000000, 0.0000345400000000, 0.0001370200000000 ] - [ 0.0002210400000000, 0.0000314600000000, -0.0002261700000000 ] - [ -0.0022170700000000, 0.0009368400000000, -0.0011643700000000 ] - [ -0.0000461900000000, -0.0001314700000000, 0.0003113100000000 ] - [ 0.0000663700000000, -0.0001422400000000, 0.0001868200000000 ] - [ 0.0000070800000000, 0.0001979900000000, -0.0003756400000000 ] - [ 0.0029116500000000, -0.0023781300000000, 0.0146999400000000 ] - [ -0.0000168600000000, 0.0001471800000000, -0.0005729400000000 ] - [ 0.0021324500000000, -0.0010678500000000, 0.0013883900000000 ] - [ -0.0005213100000000, -0.0001930800000000, -0.0004786100000000 ] - [ -0.0008539400000000, -0.0001401100000000, -0.0000124400000000 ] - [ -0.0001233000000000, 0.0001039900000000, -0.0005338800000000 ] - [ 0.0003495300000000, 0.0001316200000000, 0.0002147300000000 ] - [ -0.0000333400000000, -0.0000820900000000, -0.0000877300000000 ] - [ -0.0000252500000000, -0.0000493000000000, 0.0000974600000000 ] - [ 0.0002495600000000, -0.0002521300000000, -0.0001260800000000 ] - [ 0.0000908000000000, 0.0000547100000000, 0.0006100400000000 ] - [ 0.0000523500000000, -0.0000313900000000, -0.0004834700000000 ] - [ 0.0001108000000000, 0.0001068600000000, 0.0001424100000000 ] - [ 0.0001488400000000, 0.0001801600000000, -0.0001840500000000 ] - [ 0.0023346400000000, -0.0002090800000000, -0.0007427100000000 ] - [ -0.0008969200000000, 0.0006848800000000, -0.0017306900000000 ] - [ -0.0003828000000000, 0.0014956200000000, 0.0021403300000000 ] - [ -0.0001977700000000, -0.0002779300000000, -0.0006887700000000 ] - [ 0.0005426600000000, 0.0020879700000000, -0.0006519900000000 ] - [ 0.0000625200000000, 0.0002216300000000, -0.0002171500000000 ] - [ 0.0000224000000000, -0.0026826700000000, -0.0027499900000000 ] - [ -0.0006206300000000, -0.0013390900000000, -0.0011180400000000 ] - [ 0.0000418100000000, -0.0000198300000000, -0.0003652100000000 ] - [ 0.0011858000000000, 0.0003182500000000, 0.0012503600000000 ] - [ 0.0000215400000000, -0.0000419600000000, 0.0001516800000000 ] - [ -0.0002565500000000, -0.0000819200000000, -0.0001653700000000 ]- atom: 65 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ -0.0000066500000000, -0.0000122600000000, -0.0001626100000000 ] - [ 0.0069657800000000, 0.0198465900000000, 0.0080268400000000 ] - [ 0.0000515700000000, 0.0001266500000000, -0.0000097900000000 ] - [ -0.0000808000000000, -0.0000646900000000, 0.0000890000000000 ] - [ 0.0002476100000000, -0.0003209800000000, -0.0003101700000000 ] - [ -0.0005122900000000, 0.0002402000000000, -0.0001978200000000 ] - [ 0.0004379500000000, 0.0002801500000000, 0.0007431100000000 ] - [ -0.0000863800000000, 0.0000289100000000, -0.0001072400000000 ] - [ 0.0000777300000000, -0.0003713700000000, -0.0000609300000000 ] - [ -0.0006900700000000, 0.0002559200000000, -0.0001406200000000 ] - [ 0.0000781800000000, 0.0002010300000000, 0.0000722800000000 ] - [ 0.0155052900000000, 0.0129025600000000, -0.0188489800000000 ] - [ 0.0506873000000000, -0.0069982400000000, 0.0177237500000000 ] - [ 0.0000639000000000, 0.0001086400000000, 0.0001722200000000 ] - [ 0.0001922400000000, -0.0001833500000000, -0.0000743400000000 ] - [ 0.0023040900000000, 0.0008890500000000, -0.0001703000000000 ] - [ -0.0004872400000000, -0.0001585900000000, -0.0005748400000000 ] - [ -0.0002695500000000, 0.0000196000000000, 0.0001669900000000 ] - [ -0.0000382700000000, -0.0001670200000000, 0.0002482400000000 ] - [ 0.0001354500000000, 0.0000773400000000, 0.0001269000000000 ] - [ -0.0001063800000000, 0.0000797200000000, 0.0000361000000000 ] - [ -0.0000577700000000, -0.0001130600000000, 0.0001582700000000 ] - [ -0.0002694500000000, -0.0001412000000000, -0.0000340500000000 ] - [ -0.0010504200000000, -0.0007252500000000, 0.0000748400000000 ] - [ -0.0003150000000000, -0.0002418700000000, 0.0000072200000000 ] - [ -0.0000743600000000, 0.0000805800000000, -0.0002442100000000 ] - [ -0.0002820000000000, 0.0000019500000000, -0.0004810900000000 ] - [ -0.0002090500000000, 0.0000468000000000, 0.0000279400000000 ] - [ -0.0000323200000000, 0.0000962200000000, -0.0001193000000000 ] - [ 0.0000547900000000, -0.0000333400000000, -0.0001656600000000 ] - [ -0.0001243700000000, -0.0000057100000000, 0.0000829100000000 ] - [ -0.0001486400000000, 0.0000818700000000, 0.0000327200000000 ] - [ -0.0000381200000000, 0.0000920400000000, -0.0000466800000000 ] - [ -0.0001135800000000, -0.0000550600000000, -0.0000591800000000 ] - [ -0.0008416800000000, 0.0007750800000000, -0.0002321700000000 ] - [ -0.0000697000000000, -0.0002163400000000, -0.0000255700000000 ] - [ -0.0003345900000000, -0.0001654700000000, 0.0000408700000000 ] - [ -0.0008917800000000, 0.0004402300000000, 0.0001670500000000 ] - [ -0.0003948500000000, 0.0000215900000000, -0.0001162600000000 ] - [ -0.0001733700000000, 0.0000312400000000, -0.0000307300000000 ] - [ 0.0019424200000000, -0.0001900000000000, -0.0008551900000000 ] - [ -0.0000827000000000, 0.0000479600000000, 0.0000562200000000 ] - [ 0.0002635900000000, -0.0000273400000000, 0.0000291800000000 ] - [ -0.0015903500000000, 0.0007824600000000, -0.0002328500000000 ] - [ 0.0000664200000000, -0.0000544300000000, -0.0001049900000000 ] - [ -0.0008583200000000, -0.0001801800000000, 0.0008012900000000 ] - [ 0.0001187200000000, 0.0004178400000000, 0.0000052400000000 ] - [ 0.0282976400000000, -0.0167966900000000, 0.0071628300000000 ] - [ 0.0006259100000000, 0.0004175700000000, 0.0004698100000000 ] - [ 0.0003824300000000, -0.0000417400000000, 0.0009428300000000 ] - [ 0.0044036000000000, 0.0011649100000000, -0.0014285500000000 ] - [ -0.0000246000000000, 0.0003692300000000, 0.0003871600000000 ] - [ -0.0003495800000000, 0.0009579500000000, 0.0006271800000000 ] - [ -0.0001160400000000, 0.0000180300000000, 0.0001397000000000 ] - [ -0.0006529500000000, -0.0003495900000000, -0.0003981700000000 ] - [ -0.0001938800000000, 0.0000938100000000, 0.0000552400000000 ] - [ -0.0000512200000000, 0.0002070000000000, 0.0000794400000000 ] - [ -0.0002907000000000, 0.0000180600000000, 0.0000555600000000 ] - [ 0.0042174800000000, 0.0020852900000000, -0.0074032500000000 ] - [ -0.0002637100000000, -0.0001888800000000, 0.0002469700000000 ] - [ 0.0002205600000000, -0.0001443800000000, -0.0001296900000000 ] - [ 0.0001489200000000, 0.0001240600000000, -0.0001398600000000 ] - [ 0.0022612500000000, -0.0000274100000000, -0.0023934400000000 ] - [ 0.0001418800000000, 0.0000299400000000, 0.0002717900000000 ] - [ -0.1405145900000000, -0.0058346300000000, -0.0038647800000000 ] - [ -0.0002283500000000, -0.0003301600000000, -0.0005300900000000 ] - [ -0.0011737600000000, 0.0000980600000000, 0.0022900900000000 ] - [ -0.0006065200000000, -0.0087204900000000, -0.0007613400000000 ] - [ -0.0036461300000000, -0.0206965300000000, -0.0091268500000000 ] - [ -0.0000572400000000, 0.0001068000000000, 0.0000447100000000 ] - [ 0.0009918500000000, 0.0019526400000000, 0.0001731300000000 ] - [ 0.0001391600000000, 0.0000378000000000, 0.0005085400000000 ] - [ 0.0008869100000000, -0.0008059200000000, 0.0004093200000000 ] - [ 0.0001629300000000, 0.0001964100000000, -0.0000389600000000 ] - [ 0.0000869400000000, -0.0003370100000000, -0.0003913400000000 ] - [ 0.0000220400000000, -0.0000085000000000, -0.0001034400000000 ] - [ 0.0003688400000000, -0.0000603600000000, 0.0004636300000000 ] - [ 0.0017927900000000, 0.0004763400000000, 0.0001154600000000 ] - [ 0.0006217400000000, -0.0004138900000000, -0.0001785700000000 ] - [ 0.0001051100000000, 0.0000661700000000, 0.0001718200000000 ] - [ 0.0003697700000000, 0.0000219700000000, -0.0002417500000000 ] - [ 0.0004895800000000, -0.0005724200000000, -0.0001650000000000 ] - [ 0.0157715700000000, 0.0144296100000000, 0.0086543900000000 ] - [ 0.0002083100000000, -0.0003224000000000, -0.0004848400000000 ] - [ 0.0001780300000000, -0.0000148400000000, -0.0000935700000000 ] - [ 0.0073326200000000, 0.0057956900000000, -0.0009697600000000 ] - [ -0.0000767400000000, 0.0001689300000000, 0.0001291200000000 ] - [ 0.0090551700000000, -0.0007168500000000, -0.0000390800000000 ]- atom: 65 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0001472800000000, -0.0000073600000000, 0.0000268300000000 ] - [ -0.0069061700000000, -0.0197362000000000, -0.0081167200000000 ] - [ -0.0003092700000000, 0.0000457700000000, 0.0000784900000000 ] - [ -0.0001781900000000, -0.0001074900000000, -0.0000204000000000 ] - [ -0.0001258000000000, -0.0000168100000000, 0.0002842500000000 ] - [ 0.0006310200000000, 0.0000915000000000, 0.0001790500000000 ] - [ -0.0006217000000000, -0.0004692300000000, -0.0007333100000000 ] - [ -0.0000918600000000, 0.0001386700000000, 0.0001188300000000 ] - [ 0.0000603800000000, -0.0002053500000000, -0.0000600400000000 ] - [ 0.0008327800000000, 0.0003094100000000, 0.0000156100000000 ] - [ -0.0000286400000000, -0.0004697300000000, 0.0001769100000000 ] - [ -0.0154344500000000, -0.0127651000000000, 0.0193894500000000 ] - [ -0.0529317900000000, 0.0077045100000000, -0.0182256400000000 ] - [ -0.0001733500000000, 0.0000639100000000, 0.0001297300000000 ] - [ -0.0001195300000000, -0.0001755600000000, 0.0002446200000000 ] - [ -0.0022532500000000, -0.0005179400000000, 0.0003559500000000 ] - [ 0.0004699000000000, -0.0002479900000000, 0.0007200900000000 ] - [ 0.0002440900000000, 0.0003870900000000, -0.0000294300000000 ] - [ 0.0001631100000000, 0.0001577300000000, 0.0002398000000000 ] - [ -0.0000031100000000, -0.0000728900000000, 0.0003592600000000 ] - [ -0.0000631900000000, -0.0000548600000000, 0.0001099800000000 ] - [ -0.0001127900000000, 0.0000876900000000, -0.0000131000000000 ] - [ -0.0001266600000000, -0.0002648100000000, 0.0000715800000000 ] - [ 0.0006545600000000, 0.0011396000000000, -0.0000380700000000 ] - [ 0.0002871800000000, 0.0000852100000000, -0.0002791300000000 ] - [ 0.0000452400000000, 0.0000797700000000, -0.0000224800000000 ] - [ 0.0001192200000000, -0.0002323800000000, 0.0005503300000000 ] - [ 0.0000441000000000, 0.0001825000000000, 0.0000351900000000 ] - [ 0.0001610000000000, -0.0000063000000000, -0.0001930300000000 ] - [ 0.0000750400000000, -0.0000565200000000, -0.0001456500000000 ] - [ 0.0000643100000000, -0.0001660600000000, -0.0000477600000000 ] - [ 0.0000862700000000, 0.0000883300000000, 0.0000037700000000 ] - [ 0.0000300300000000, 0.0001239800000000, -0.0000766800000000 ] - [ 0.0001053800000000, -0.0001588600000000, -0.0000632000000000 ] - [ 0.0009342600000000, -0.0005074300000000, 0.0003599400000000 ] - [ 0.0001660400000000, -0.0000500500000000, 0.0001560000000000 ] - [ 0.0002654100000000, 0.0001570200000000, -0.0002650800000000 ] - [ 0.0008231200000000, -0.0004330200000000, -0.0003927100000000 ] - [ 0.0002573200000000, -0.0000823100000000, 0.0000503800000000 ] - [ 0.0000378900000000, 0.0000304800000000, -0.0000355800000000 ] - [ -0.0019724800000000, 0.0001357100000000, 0.0008010400000000 ] - [ 0.0000053400000000, 0.0000284800000000, -0.0000891600000000 ] - [ 0.0002416200000000, -0.0000424300000000, -0.0000241200000000 ] - [ 0.0020705700000000, -0.0006953100000000, 0.0002360900000000 ] - [ -0.0000606800000000, 0.0001535300000000, -0.0000508900000000 ] - [ 0.0008622300000000, 0.0000855900000000, -0.0009576100000000 ] - [ -0.0000301600000000, -0.0000025200000000, -0.0001332200000000 ] - [ -0.0267160900000000, 0.0156000200000000, -0.0068451600000000 ] - [ -0.0003401500000000, -0.0006207000000000, -0.0005393700000000 ] - [ -0.0001115500000000, 0.0002360000000000, -0.0010106500000000 ] - [ -0.0041244400000000, -0.0012439700000000, 0.0015707500000000 ] - [ 0.0003368900000000, -0.0003469300000000, -0.0002234500000000 ] - [ 0.0000744200000000, -0.0010259500000000, -0.0004016400000000 ] - [ -0.0001593600000000, 0.0000512000000000, 0.0000835700000000 ] - [ 0.0005511300000000, 0.0002363000000000, 0.0004163400000000 ] - [ 0.0000805500000000, 0.0000113400000000, -0.0000437400000000 ] - [ 0.0001894500000000, -0.0002706500000000, -0.0000970100000000 ] - [ 0.0004311500000000, 0.0000516000000000, -0.0000793000000000 ] - [ -0.0043542800000000, -0.0017947800000000, 0.0076080400000000 ] - [ 0.0001585800000000, -0.0001154100000000, -0.0000151400000000 ] - [ -0.0000525500000000, -0.0001689100000000, -0.0000831800000000 ] - [ 0.0000192900000000, 0.0001851600000000, -0.0000746600000000 ] - [ -0.0022809100000000, -0.0001692500000000, 0.0022277000000000 ] - [ -0.0001805400000000, 0.0001756100000000, -0.0004176000000000 ] - [ 0.1405309700000000, 0.0056371400000000, 0.0033693000000000 ] - [ -0.0001091800000000, 0.0001164600000000, 0.0001489300000000 ] - [ 0.0009728800000000, 0.0000558400000000, -0.0023187300000000 ] - [ 0.0004306800000000, 0.0085642000000000, 0.0006781900000000 ] - [ 0.0036285300000000, 0.0210112500000000, 0.0090189300000000 ] - [ 0.0001273100000000, -0.0002515900000000, -0.0001676800000000 ] - [ -0.0009503000000000, -0.0019408500000000, -0.0002466400000000 ] - [ -0.0001121700000000, -0.0000757700000000, -0.0005853700000000 ] - [ -0.0006986300000000, 0.0007844700000000, -0.0003794900000000 ] - [ 0.0000357200000000, -0.0001672500000000, 0.0000691600000000 ] - [ 0.0002357700000000, 0.0003979800000000, 0.0001981800000000 ] - [ 0.0002995400000000, -0.0000519400000000, -0.0000895800000000 ] - [ -0.0005631900000000, -0.0001963400000000, -0.0003637600000000 ] - [ -0.0019994300000000, -0.0002182000000000, -0.0000057100000000 ] - [ -0.0006103000000000, 0.0005741800000000, 0.0002448700000000 ] - [ -0.0000913400000000, -0.0002314000000000, -0.0001143300000000 ] - [ -0.0002139700000000, -0.0001191000000000, 0.0001429200000000 ] - [ -0.0003298000000000, 0.0006689000000000, 0.0000636600000000 ] - [ -0.0155535500000000, -0.0141999400000000, -0.0083963500000000 ] - [ -0.0004113100000000, 0.0002564700000000, 0.0005334400000000 ] - [ -0.0002400900000000, -0.0001805800000000, 0.0001720500000000 ] - [ -0.0073369100000000, -0.0055266900000000, 0.0010712600000000 ] - [ 0.0001053700000000, -0.0002061300000000, 0.0000137500000000 ] - [ -0.0090097700000000, 0.0007762400000000, 0.0001873500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000973000000000, 0.0000050500000000, -0.0000850700000000 ] - [ 0.0194668100000000, 0.0622446700000000, 0.0262114100000000 ] - [ -0.0000589200000000, 0.0001766800000000, 0.0000502200000000 ] - [ -0.0001221300000000, -0.0000879500000000, 0.0000008500000000 ] - [ 0.0003001100000000, -0.0005190000000000, -0.0003445000000000 ] - [ 0.0005856500000000, -0.0002373000000000, -0.0012525000000000 ] - [ -0.0000458700000000, 0.0017068200000000, -0.0005166800000000 ] - [ -0.0001611600000000, -0.0000632500000000, -0.0001577700000000 ] - [ -0.0000028100000000, -0.0006222500000000, -0.0000471600000000 ] - [ 0.0020254300000000, -0.0011821600000000, 0.0004661200000000 ] - [ -0.0000052300000000, 0.0003689500000000, -0.0003590000000000 ] - [ 0.0126223600000000, 0.0194702100000000, -0.0160217300000000 ] - [ -0.0083076500000000, 0.0117975300000000, -0.0007666400000000 ] - [ -0.0001032000000000, 0.0001268600000000, 0.0001383500000000 ] - [ 0.0000950800000000, -0.0003419700000000, -0.0003309600000000 ] - [ -0.0001247700000000, 0.0015519800000000, 0.0008936100000000 ] - [ 0.0003384600000000, -0.0002058600000000, 0.0004318800000000 ] - [ -0.0004050900000000, 0.0000372900000000, 0.0002836900000000 ] - [ -0.0009126000000000, -0.0006969000000000, 0.0005182500000000 ] - [ 0.0001311200000000, -0.0000312000000000, 0.0002388300000000 ] - [ -0.0001233000000000, -0.0001847100000000, 0.0001090300000000 ] - [ 0.0000080000000000, -0.0003612200000000, 0.0001354100000000 ] - [ -0.0002516900000000, 0.0000502900000000, 0.0000091100000000 ] - [ -0.0003792300000000, 0.0006236500000000, 0.0002147000000000 ] - [ -0.0007595300000000, -0.0002605300000000, -0.0001112500000000 ] - [ -0.0000505100000000, 0.0001368800000000, -0.0000819900000000 ] - [ 0.0000648300000000, -0.0000802700000000, 0.0003371600000000 ] - [ -0.0001117900000000, 0.0002306000000000, 0.0001716500000000 ] - [ 0.0000092300000000, -0.0001464000000000, -0.0002615700000000 ] - [ 0.0000220000000000, -0.0000952600000000, -0.0001891400000000 ] - [ 0.0000238300000000, -0.0001565200000000, 0.0000337700000000 ] - [ -0.0001402000000000, -0.0001148200000000, 0.0001862600000000 ] - [ 0.0000283800000000, -0.0001002500000000, -0.0000114400000000 ] - [ -0.0002104400000000, -0.0005620700000000, -0.0001364100000000 ] - [ 0.0002098600000000, 0.0001238100000000, 0.0000626800000000 ] - [ 0.0001035100000000, 0.0000400800000000, 0.0000559700000000 ] - [ -0.0002106900000000, -0.0000131900000000, 0.0000145000000000 ] - [ 0.0000821800000000, 0.0000195500000000, -0.0001052800000000 ] - [ -0.0001000300000000, -0.0001643100000000, -0.0000441100000000 ] - [ -0.0002031800000000, 0.0000327400000000, -0.0001243300000000 ] - [ 0.0006890000000000, 0.0016139200000000, 0.0004532700000000 ] - [ 0.0000841600000000, 0.0000564200000000, -0.0000594300000000 ] - [ 0.0003451500000000, -0.0001761100000000, 0.0000421400000000 ] - [ -0.0007336100000000, -0.0004318300000000, -0.0005472600000000 ] - [ 0.0002432400000000, -0.0003975500000000, -0.0001494100000000 ] - [ -0.0007179100000000, -0.0013220200000000, 0.0014553100000000 ] - [ 0.0002029000000000, 0.0007240400000000, -0.0000504200000000 ] - [ -0.0169721400000000, 0.0222255200000000, -0.0022256300000000 ] - [ 0.0004102400000000, 0.0001312400000000, -0.0003605600000000 ] - [ 0.0001373100000000, 0.0018243300000000, -0.0003532500000000 ] - [ 0.0009527800000000, 0.0063701000000000, 0.0000450100000000 ] - [ 0.0003447600000000, 0.0007336300000000, 0.0000403000000000 ] - [ 0.0002542600000000, -0.0003291800000000, 0.0002346600000000 ] - [ -0.0002305900000000, -0.0001984300000000, 0.0002373700000000 ] - [ -0.0005964000000000, 0.0008610200000000, 0.0000690800000000 ] - [ 0.0000322600000000, 0.0002862100000000, -0.0001218400000000 ] - [ 0.0001651900000000, -0.0000137700000000, 0.0001553300000000 ] - [ 0.0002890600000000, -0.0001588900000000, 0.0004115000000000 ] - [ 0.0009116000000000, 0.0056092000000000, -0.0001299400000000 ] - [ -0.0001500800000000, 0.0000624800000000, 0.0000377200000000 ] - [ 0.0002697300000000, 0.0003063600000000, -0.0001535900000000 ] - [ 0.0001577000000000, 0.0006557100000000, 0.0000799400000000 ] - [ -0.0003066500000000, -0.0010598100000000, 0.0011026100000000 ] - [ -0.0000507400000000, -0.0005070500000000, -0.0001534100000000 ] - [ -0.0062797300000000, -0.1651216000000000, -0.0147972700000000 ] - [ 0.0000490700000000, -0.0011169400000000, -0.0006527000000000 ] - [ -0.0018651100000000, 0.0012826200000000, 0.0044855300000000 ] - [ -0.0055258000000000, -0.0017222000000000, 0.0094895500000000 ] - [ -0.0087515300000000, 0.0205362000000000, 0.0011906600000000 ] - [ 0.0001916500000000, 0.0002578000000000, 0.0000951700000000 ] - [ 0.0046144600000000, 0.0008976200000000, -0.0023270900000000 ] - [ -0.0002077800000000, -0.0002918900000000, -0.0003607400000000 ] - [ -0.0003118000000000, 0.0004151400000000, -0.0002746300000000 ] - [ 0.0000291000000000, 0.0003100000000000, -0.0002473600000000 ] - [ 0.0004290800000000, 0.0010558000000000, -0.0000529700000000 ] - [ 0.0002074600000000, 0.0005132800000000, -0.0000542200000000 ] - [ -0.0000399900000000, -0.0007634600000000, -0.0001586400000000 ] - [ -0.0003829800000000, -0.0009637700000000, -0.0002776100000000 ] - [ 0.0000711900000000, 0.0002076300000000, 0.0002413300000000 ] - [ 0.0001629300000000, -0.0001761700000000, 0.0001336400000000 ] - [ 0.0002651200000000, 0.0001606200000000, -0.0000461300000000 ] - [ -0.0001747600000000, 0.0004845300000000, 0.0000267900000000 ] - [ 0.0059388900000000, -0.0050018600000000, 0.0002954700000000 ] - [ -0.0002924600000000, -0.0003685500000000, 0.0001164300000000 ] - [ -0.0000291200000000, 0.0003943700000000, -0.0001569600000000 ] - [ 0.0043631200000000, 0.0116033900000000, -0.0056155800000000 ] - [ -0.0001486300000000, 0.0008674500000000, 0.0000701500000000 ] - [ -0.0014677300000000, 0.0071582400000000, -0.0007982300000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000406300000000, -0.0000245200000000, -0.0000492900000000 ] - [ -0.0185343000000000, -0.0601414600000000, -0.0253138100000000 ] - [ -0.0001962900000000, -0.0000043000000000, 0.0000196500000000 ] - [ -0.0001347300000000, -0.0000827300000000, 0.0000711600000000 ] - [ -0.0001779200000000, 0.0001786000000000, 0.0003189000000000 ] - [ -0.0004738300000000, 0.0005662100000000, 0.0012462200000000 ] - [ -0.0001289400000000, -0.0018401800000000, 0.0005171600000000 ] - [ -0.0000156700000000, 0.0002311700000000, 0.0001700600000000 ] - [ 0.0001401500000000, 0.0000457000000000, -0.0000733700000000 ] - [ -0.0018755000000000, 0.0017569300000000, -0.0005794600000000 ] - [ 0.0000530700000000, -0.0006369000000000, 0.0006148400000000 ] - [ -0.0126775900000000, -0.0191410500000000, 0.0163972400000000 ] - [ 0.0080221700000000, -0.0119406900000000, 0.0010094200000000 ] - [ -0.0000046500000000, 0.0000462700000000, 0.0001627400000000 ] - [ -0.0000233500000000, -0.0000156800000000, 0.0005069400000000 ] - [ 0.0002047100000000, -0.0011975600000000, -0.0007049600000000 ] - [ -0.0003626600000000, -0.0002000100000000, -0.0002943500000000 ] - [ 0.0003865400000000, 0.0003707800000000, -0.0001443400000000 ] - [ 0.0010430500000000, 0.0006898100000000, -0.0000336200000000 ] - [ 0.0000031200000000, 0.0000380400000000, 0.0002434000000000 ] - [ -0.0000449900000000, 0.0002110100000000, 0.0000362200000000 ] - [ -0.0001770700000000, 0.0003385200000000, 0.0000102200000000 ] - [ -0.0001418000000000, -0.0004579400000000, 0.0000275900000000 ] - [ -0.0000130200000000, -0.0002170800000000, -0.0001789000000000 ] - [ 0.0007387200000000, 0.0001055300000000, -0.0001616100000000 ] - [ 0.0000208300000000, 0.0000212200000000, -0.0001890700000000 ] - [ -0.0002299900000000, -0.0001530200000000, -0.0002729400000000 ] - [ -0.0000530400000000, 0.0000018400000000, -0.0001070300000000 ] - [ 0.0001172600000000, 0.0002331900000000, -0.0000510800000000 ] - [ 0.0001055800000000, 0.0000088800000000, -0.0001234400000000 ] - [ -0.0000884700000000, -0.0000109200000000, 0.0000017100000000 ] - [ 0.0000779000000000, 0.0002831600000000, -0.0001510000000000 ] - [ -0.0000407200000000, 0.0003179200000000, -0.0001151200000000 ] - [ 0.0001984600000000, 0.0003486900000000, 0.0000115900000000 ] - [ -0.0001170200000000, 0.0001420900000000, 0.0000645200000000 ] - [ -0.0000107200000000, -0.0003068300000000, 0.0000694800000000 ] - [ 0.0001442700000000, 0.0000040400000000, -0.0002378800000000 ] - [ -0.0001524800000000, -0.0000082400000000, -0.0001170300000000 ] - [ -0.0000358700000000, 0.0001021900000000, -0.0000264300000000 ] - [ 0.0000668600000000, 0.0000305700000000, 0.0000513300000000 ] - [ -0.0007650700000000, -0.0017010700000000, -0.0004810400000000 ] - [ -0.0001626600000000, 0.0000224800000000, 0.0000237400000000 ] - [ 0.0001566200000000, 0.0001071000000000, -0.0000373400000000 ] - [ 0.0012544600000000, 0.0004887600000000, 0.0005572100000000 ] - [ -0.0002362100000000, 0.0004991500000000, -0.0000072900000000 ] - [ 0.0007336000000000, 0.0012277600000000, -0.0016126200000000 ] - [ -0.0001091900000000, -0.0003059200000000, -0.0000805800000000 ] - [ 0.0174028500000000, -0.0227120600000000, 0.0021569900000000 ] - [ -0.0001259600000000, -0.0003367000000000, 0.0002857500000000 ] - [ 0.0001475900000000, -0.0016211700000000, 0.0002693500000000 ] - [ -0.0008057300000000, -0.0068731200000000, -0.0000178600000000 ] - [ -0.0000238900000000, -0.0007133000000000, 0.0001153900000000 ] - [ -0.0005382800000000, 0.0002647800000000, -0.0000181900000000 ] - [ -0.0000430100000000, 0.0002669700000000, -0.0000158500000000 ] - [ 0.0004780400000000, -0.0009658900000000, -0.0000598700000000 ] - [ -0.0001462300000000, -0.0001816700000000, 0.0001338500000000 ] - [ -0.0000196000000000, -0.0000462300000000, -0.0001690200000000 ] - [ -0.0001450100000000, 0.0002269900000000, -0.0004392300000000 ] - [ -0.0010436700000000, -0.0053408300000000, 0.0003975400000000 ] - [ 0.0000474000000000, -0.0003681300000000, 0.0002006400000000 ] - [ -0.0001054000000000, -0.0006216400000000, -0.0000587700000000 ] - [ 0.0000086200000000, -0.0003444900000000, -0.0002965100000000 ] - [ 0.0002685000000000, 0.0008619600000000, -0.0012559000000000 ] - [ 0.0000154100000000, 0.0007085500000000, 0.0000108100000000 ] - [ 0.0052045400000000, 0.1624271700000000, 0.0130747500000000 ] - [ -0.0004006200000000, 0.0009011300000000, 0.0002731500000000 ] - [ 0.0016759800000000, -0.0011475000000000, -0.0045382000000000 ] - [ 0.0053662600000000, 0.0016752400000000, -0.0094596600000000 ] - [ 0.0086509600000000, -0.0197814500000000, -0.0012124600000000 ] - [ -0.0001278100000000, -0.0004034100000000, -0.0002196000000000 ] - [ -0.0046024200000000, -0.0008844400000000, 0.0022693100000000 ] - [ 0.0002395400000000, 0.0002590400000000, 0.0002922000000000 ] - [ 0.0005164700000000, -0.0004436200000000, 0.0003116500000000 ] - [ 0.0001724500000000, -0.0002841100000000, 0.0002793900000000 ] - [ -0.0000972900000000, -0.0010116200000000, -0.0001385300000000 ] - [ 0.0001201500000000, -0.0005698700000000, -0.0001350100000000 ] - [ -0.0001489200000000, 0.0005086900000000, 0.0002658600000000 ] - [ 0.0001943400000000, 0.0012222400000000, 0.0003834300000000 ] - [ -0.0000592200000000, -0.0000448400000000, -0.0001802800000000 ] - [ -0.0001477100000000, 0.0000147600000000, -0.0000711600000000 ] - [ -0.0001109900000000, -0.0002572200000000, -0.0000518000000000 ] - [ 0.0003306300000000, -0.0003933600000000, -0.0001242300000000 ] - [ -0.0061355000000000, 0.0052062900000000, -0.0001931000000000 ] - [ 0.0000964100000000, 0.0003039600000000, -0.0000566800000000 ] - [ -0.0000375200000000, -0.0005994200000000, 0.0002291600000000 ] - [ -0.0043036000000000, -0.0110539200000000, 0.0057172800000000 ] - [ 0.0001736500000000, -0.0009105400000000, 0.0000763300000000 ] - [ 0.0015343200000000, -0.0069687900000000, 0.0009813000000000 ]- atom: 65 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000145300000000, 0.0000392600000000, 0.0001601700000000 ] - [ 0.0078194200000000, 0.0256755000000000, 0.0117273900000000 ] - [ -0.0001614100000000, 0.0000995000000000, 0.0000365500000000 ] - [ -0.0001465000000000, -0.0001045900000000, 0.0000958700000000 ] - [ 0.0000966400000000, -0.0004193200000000, 0.0000035400000000 ] - [ 0.0006640600000000, 0.0009272400000000, -0.0017912200000000 ] - [ 0.0011559300000000, -0.0003730000000000, 0.0017232600000000 ] - [ -0.0000388900000000, 0.0001462200000000, -0.0000855300000000 ] - [ 0.0000711600000000, -0.0002812800000000, -0.0000719400000000 ] - [ 0.0004481500000000, 0.0001022500000000, -0.0007135500000000 ] - [ 0.0004160100000000, -0.0010425300000000, -0.0005614000000000 ] - [ -0.0203210100000000, -0.0173143400000000, 0.0415312000000000 ] - [ 0.0180575800000000, -0.0010098200000000, 0.0109339400000000 ] - [ -0.0001810100000000, 0.0001102100000000, -0.0000597600000000 ] - [ -0.0000073000000000, -0.0002802300000000, 0.0000408800000000 ] - [ -0.0009232900000000, 0.0004286600000000, 0.0007501200000000 ] - [ -0.0005837300000000, -0.0001094200000000, -0.0002805800000000 ] - [ 0.0002562300000000, 0.0002817000000000, 0.0003176100000000 ] - [ -0.0004684100000000, -0.0002411900000000, 0.0004121500000000 ] - [ 0.0001010600000000, 0.0000319700000000, 0.0001689200000000 ] - [ -0.0001015800000000, 0.0000827600000000, 0.0000578200000000 ] - [ -0.0000499300000000, -0.0000279200000000, 0.0001239400000000 ] - [ -0.0001526400000000, -0.0002713000000000, -0.0000420700000000 ] - [ 0.0001405800000000, 0.0007106700000000, 0.0001613400000000 ] - [ -0.0001904200000000, -0.0001579200000000, 0.0000570500000000 ] - [ 0.0000645100000000, -0.0000774900000000, -0.0004688600000000 ] - [ -0.0000835900000000, -0.0000749700000000, -0.0000020500000000 ] - [ -0.0000787800000000, 0.0001703000000000, 0.0000299200000000 ] - [ 0.0000312100000000, 0.0000600700000000, -0.0000858800000000 ] - [ 0.0000444100000000, -0.0000215500000000, -0.0002427700000000 ] - [ -0.0001014900000000, 0.0000489900000000, 0.0002101900000000 ] - [ -0.0000354500000000, 0.0001084200000000, -0.0000204200000000 ] - [ -0.0000405100000000, 0.0002262400000000, -0.0001101900000000 ] - [ -0.0001158800000000, -0.0001752000000000, -0.0000742200000000 ] - [ -0.0001411300000000, 0.0003448600000000, 0.0001412700000000 ] - [ 0.0000274200000000, -0.0001608400000000, -0.0000918100000000 ] - [ 0.0007264800000000, 0.0003147100000000, -0.0005507200000000 ] - [ -0.0001591500000000, 0.0001283300000000, -0.0000289300000000 ] - [ -0.0001635500000000, -0.0000601000000000, -0.0000243900000000 ] - [ -0.0000609600000000, 0.0000651500000000, -0.0001123900000000 ] - [ -0.0006526700000000, 0.0007133400000000, 0.0008420600000000 ] - [ -0.0000598600000000, 0.0000409000000000, -0.0002891500000000 ] - [ 0.0003011000000000, -0.0000938800000000, -0.0000152600000000 ] - [ -0.0005134700000000, 0.0002625200000000, -0.0009157400000000 ] - [ -0.0001348100000000, 0.0002986500000000, -0.0001097400000000 ] - [ 0.0001033100000000, -0.0001419200000000, -0.0010586300000000 ] - [ -0.0000390000000000, -0.0000927500000000, -0.0003482100000000 ] - [ 0.0045724600000000, -0.0016272900000000, 0.0060371300000000 ] - [ 0.0000063900000000, -0.0008277100000000, -0.0006384300000000 ] - [ 0.0009274200000000, -0.0004875100000000, 0.0014168600000000 ] - [ -0.0012705500000000, 0.0006194200000000, 0.0042588700000000 ] - [ 0.0002297500000000, -0.0001944900000000, -0.0005781800000000 ] - [ 0.0000579700000000, 0.0003823200000000, 0.0002312700000000 ] - [ -0.0001372800000000, 0.0000732500000000, 0.0000746100000000 ] - [ -0.0002143200000000, -0.0000526500000000, -0.0003767600000000 ] - [ 0.0000126400000000, -0.0000320800000000, 0.0000281400000000 ] - [ 0.0001220700000000, 0.0000885400000000, -0.0001481200000000 ] - [ -0.0000983300000000, 0.0006065500000000, 0.0003775800000000 ] - [ -0.0071051700000000, -0.0017141500000000, 0.0354665700000000 ] - [ 0.0002377900000000, -0.0002728700000000, -0.0004421800000000 ] - [ 0.0002832300000000, -0.0000576800000000, -0.0003567900000000 ] - [ 0.0001087700000000, 0.0001560800000000, 0.0000009800000000 ] - [ -0.0017588700000000, 0.0007732500000000, -0.0016484300000000 ] - [ 0.0001487900000000, 0.0001783900000000, 0.0002151400000000 ] - [ -0.0035121300000000, -0.0139610600000000, -0.1434317600000000 ] - [ -0.0005119000000000, 0.0003569100000000, 0.0015874700000000 ] - [ 0.0001231700000000, 0.0015125300000000, 0.0004041700000000 ] - [ 0.0044654300000000, 0.0201552500000000, 0.0203140000000000 ] - [ -0.0054097700000000, -0.0035669900000000, 0.0011219500000000 ] - [ 0.0001214400000000, -0.0002138000000000, -0.0000430800000000 ] - [ 0.0018145900000000, -0.0004333600000000, -0.0014556900000000 ] - [ 0.0000299000000000, 0.0002750100000000, 0.0008230300000000 ] - [ 0.0007058300000000, -0.0004439100000000, -0.0003000600000000 ] - [ -0.0002956600000000, -0.0000615500000000, 0.0001661900000000 ] - [ 0.0004359000000000, 0.0000480300000000, -0.0003533200000000 ] - [ 0.0001612100000000, -0.0001247900000000, -0.0000641500000000 ] - [ -0.0004363500000000, 0.0001601400000000, 0.0002158800000000 ] - [ -0.0004252000000000, -0.0002872500000000, 0.0002429000000000 ] - [ 0.0001697600000000, 0.0000531500000000, -0.0002013000000000 ] - [ -0.0001700300000000, 0.0001525200000000, 0.0003777400000000 ] - [ 0.0000629900000000, -0.0006528300000000, 0.0000491000000000 ] - [ 0.0001025900000000, -0.0000230100000000, 0.0000177100000000 ] - [ 0.0060871300000000, 0.0040190100000000, 0.0081411500000000 ] - [ -0.0003285500000000, 0.0004996500000000, 0.0005931200000000 ] - [ 0.0000570400000000, -0.0009483800000000, 0.0005060300000000 ] - [ -0.0035740300000000, -0.0108866900000000, -0.0031670200000000 ] - [ 0.0001369600000000, -0.0001098600000000, -0.0001264100000000 ] - [ -0.0007664200000000, -0.0020169600000000, 0.0092943200000000 ]- atom: 65 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0001238800000000, -0.0000598400000000, -0.0002961200000000 ] - [ -0.0075673600000000, -0.0253424700000000, -0.0119248000000000 ] - [ -0.0000949600000000, 0.0000722200000000, 0.0000345000000000 ] - [ -0.0001108700000000, -0.0000664600000000, -0.0000259100000000 ] - [ 0.0000265100000000, 0.0000784700000000, -0.0000317600000000 ] - [ -0.0005261400000000, -0.0005647900000000, 0.0017279700000000 ] - [ -0.0013419600000000, 0.0002185200000000, -0.0017249900000000 ] - [ -0.0001395100000000, 0.0000205800000000, 0.0000962200000000 ] - [ 0.0000650500000000, -0.0002962300000000, -0.0000480600000000 ] - [ -0.0003231900000000, 0.0004732500000000, 0.0005877100000000 ] - [ -0.0003682900000000, 0.0007840400000000, 0.0008164700000000 ] - [ 0.0193627200000000, 0.0168588900000000, -0.0393884200000000 ] - [ -0.0181877000000000, 0.0008183800000000, -0.0105036300000000 ] - [ 0.0000729600000000, 0.0000636500000000, 0.0003613900000000 ] - [ 0.0000809100000000, -0.0000780600000000, 0.0001317100000000 ] - [ 0.0009784300000000, -0.0000639700000000, -0.0005865300000000 ] - [ 0.0005660900000000, -0.0002980400000000, 0.0004234900000000 ] - [ -0.0002748400000000, 0.0001265000000000, -0.0001754400000000 ] - [ 0.0005968700000000, 0.0002316200000000, 0.0000733500000000 ] - [ 0.0000312800000000, -0.0000254200000000, 0.0003145600000000 ] - [ -0.0000661800000000, -0.0000562600000000, 0.0000892900000000 ] - [ -0.0001183100000000, 0.0000019900000000, 0.0000231200000000 ] - [ -0.0002422000000000, -0.0001346100000000, 0.0000802400000000 ] - [ -0.0005271000000000, -0.0002984000000000, -0.0001220200000000 ] - [ 0.0001594300000000, 0.0000001400000000, -0.0003280200000000 ] - [ -0.0000940300000000, 0.0002362100000000, 0.0002005100000000 ] - [ -0.0000814400000000, -0.0001582300000000, 0.0000681100000000 ] - [ -0.0000859400000000, 0.0000622700000000, 0.0000356100000000 ] - [ 0.0000946200000000, 0.0000250300000000, -0.0002270900000000 ] - [ 0.0000826200000000, -0.0000647100000000, -0.0000683800000000 ] - [ 0.0000370100000000, -0.0002161200000000, -0.0001734300000000 ] - [ -0.0000295400000000, 0.0000576500000000, 0.0000574500000000 ] - [ 0.0000271300000000, -0.0000096600000000, -0.0000154200000000 ] - [ 0.0001019000000000, -0.0000405700000000, -0.0000510300000000 ] - [ 0.0002324500000000, -0.0000781300000000, -0.0000154300000000 ] - [ 0.0000645300000000, -0.0001064600000000, 0.0002191400000000 ] - [ -0.0008055100000000, -0.0003275900000000, 0.0003350300000000 ] - [ 0.0000907700000000, -0.0001206300000000, -0.0001929000000000 ] - [ 0.0000258200000000, -0.0000043200000000, -0.0000466400000000 ] - [ -0.0000753400000000, -0.0000010200000000, 0.0000412600000000 ] - [ 0.0005640000000000, -0.0008051500000000, -0.0008892600000000 ] - [ -0.0000196800000000, 0.0000377800000000, 0.0002526200000000 ] - [ 0.0002019900000000, 0.0000240900000000, 0.0000223800000000 ] - [ 0.0010198900000000, -0.0001911700000000, 0.0009204900000000 ] - [ 0.0001429500000000, -0.0001989500000000, -0.0000475200000000 ] - [ -0.0000960700000000, 0.0000442500000000, 0.0009048500000000 ] - [ 0.0001324400000000, 0.0005112600000000, 0.0002189200000000 ] - [ -0.0045515200000000, 0.0012394900000000, -0.0062062500000000 ] - [ 0.0002851500000000, 0.0006382600000000, 0.0005689900000000 ] - [ -0.0006080800000000, 0.0006864700000000, -0.0014562400000000 ] - [ 0.0015770900000000, -0.0006769700000000, -0.0041433500000000 ] - [ 0.0000816800000000, 0.0002066300000000, 0.0007554700000000 ] - [ -0.0003312300000000, -0.0004501600000000, -0.0000101500000000 ] - [ -0.0001365600000000, -0.0000056300000000, 0.0001478300000000 ] - [ 0.0001080600000000, -0.0000558300000000, 0.0003920600000000 ] - [ -0.0001281300000000, 0.0001380800000000, -0.0000164100000000 ] - [ 0.0000186400000000, -0.0001540200000000, 0.0001314700000000 ] - [ 0.0002369700000000, -0.0005347900000000, -0.0003908700000000 ] - [ 0.0075087900000000, 0.0023016200000000, -0.0366817600000000 ] - [ -0.0003437200000000, -0.0000292000000000, 0.0006754000000000 ] - [ -0.0001152500000000, -0.0002552600000000, 0.0001431900000000 ] - [ 0.0000578900000000, 0.0001549600000000, -0.0002164600000000 ] - [ 0.0017465700000000, -0.0009855700000000, 0.0015174300000000 ] - [ -0.0001861700000000, 0.0000289400000000, -0.0003618200000000 ] - [ 0.0035157600000000, 0.0138806300000000, 0.1419963100000000 ] - [ 0.0001689600000000, -0.0005694700000000, -0.0019775800000000 ] - [ -0.0003303000000000, -0.0013737900000000, -0.0004200100000000 ] - [ -0.0046900200000000, -0.0200133500000000, -0.0197499600000000 ] - [ 0.0055249700000000, 0.0036938500000000, -0.0012421400000000 ] - [ -0.0000513000000000, 0.0000668800000000, -0.0000793700000000 ] - [ -0.0017771300000000, 0.0004635700000000, 0.0013749600000000 ] - [ 0.0000047800000000, -0.0003142000000000, -0.0008987200000000 ] - [ -0.0005108400000000, 0.0004190500000000, 0.0003350000000000 ] - [ 0.0004933700000000, 0.0000884600000000, -0.0001366700000000 ] - [ -0.0001091200000000, 0.0000126200000000, 0.0001610200000000 ] - [ 0.0001627100000000, 0.0000637100000000, -0.0001304000000000 ] - [ 0.0002505800000000, -0.0004194100000000, -0.0001113100000000 ] - [ 0.0002275800000000, 0.0005436200000000, -0.0001350100000000 ] - [ -0.0001557200000000, 0.0001109000000000, 0.0002653200000000 ] - [ 0.0001833100000000, -0.0003161500000000, -0.0003196400000000 ] - [ 0.0000958300000000, 0.0005602400000000, -0.0001493600000000 ] - [ 0.0000567500000000, 0.0001200100000000, -0.0001153600000000 ] - [ -0.0062374700000000, -0.0038750900000000, -0.0080248800000000 ] - [ 0.0001293100000000, -0.0005688300000000, -0.0005462400000000 ] - [ -0.0001195600000000, 0.0007479500000000, -0.0004271100000000 ] - [ 0.0035526500000000, 0.0111402600000000, 0.0031684200000000 ] - [ -0.0001110400000000, 0.0000743200000000, 0.0002707500000000 ] - [ 0.0007996900000000, 0.0020776400000000, -0.0091101600000000 ]- atom: 67 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0121525800000000, -0.0080853000000000, -0.0281292100000000 ] - [ 0.0000354800000000, 0.0000450100000000, -0.0000897600000000 ] - [ 0.0000666500000000, 0.0001513400000000, -0.0000400100000000 ] - [ -0.0000892900000000, -0.0000902900000000, 0.0000606200000000 ] - [ 0.0062269700000000, -0.0087975700000000, 0.0029222400000000 ] - [ 0.0000780400000000, 0.0002615500000000, 0.0000564900000000 ] - [ -0.0000270400000000, 0.0000288400000000, -0.0002838000000000 ] - [ -0.0004019200000000, 0.0001009600000000, -0.0001429500000000 ] - [ 0.0011388200000000, 0.0000620200000000, -0.0008231000000000 ] - [ 0.0000856800000000, 0.0004116800000000, -0.0000472500000000 ] - [ 0.0123102300000000, -0.0194309800000000, 0.0005437300000000 ] - [ 0.0001871800000000, 0.0005918400000000, 0.0003536200000000 ] - [ 0.0001726900000000, 0.0000466600000000, 0.0001911400000000 ] - [ 0.0020344100000000, -0.0007075900000000, -0.0001635800000000 ] - [ 0.0494895600000000, 0.0135094000000000, -0.0015988900000000 ] - [ 0.0001282100000000, 0.0002074000000000, 0.0000521200000000 ] - [ -0.0000422600000000, -0.0001980400000000, 0.0000311800000000 ] - [ 0.0000275100000000, 0.0001742800000000, 0.0003615000000000 ] - [ -0.0008735000000000, 0.0001777700000000, 0.0007591100000000 ] - [ 0.0002082700000000, 0.0000315900000000, 0.0001505100000000 ] - [ -0.0002817500000000, -0.0003458700000000, -0.0000886500000000 ] - [ -0.0001175300000000, -0.0000816300000000, 0.0001811300000000 ] - [ -0.0004635500000000, 0.0001970200000000, -0.0000037400000000 ] - [ -0.0002521000000000, 0.0003176800000000, 0.0001393800000000 ] - [ -0.0007466600000000, -0.0005876900000000, 0.0007010000000000 ] - [ -0.0000376800000000, 0.0001041000000000, -0.0001714200000000 ] - [ -0.0001509300000000, -0.0001526000000000, 0.0000574800000000 ] - [ -0.0000911300000000, 0.0001239700000000, 0.0000660800000000 ] - [ -0.0001710600000000, 0.0001065100000000, 0.0000392600000000 ] - [ 0.0000214600000000, -0.0000325600000000, -0.0002326000000000 ] - [ -0.0001659700000000, -0.0000785300000000, 0.0000253300000000 ] - [ -0.0000988400000000, 0.0000974200000000, -0.0000294900000000 ] - [ -0.0000593300000000, 0.0001461600000000, -0.0000993800000000 ] - [ -0.0002431600000000, -0.0001878800000000, -0.0000451400000000 ] - [ -0.0003461900000000, 0.0003614600000000, -0.0000764400000000 ] - [ -0.0000315200000000, -0.0001828600000000, 0.0000415900000000 ] - [ -0.0003182500000000, -0.0001720700000000, 0.0000503200000000 ] - [ -0.0001977400000000, 0.0000406800000000, -0.0000931700000000 ] - [ -0.0010509600000000, 0.0000425300000000, -0.0005233100000000 ] - [ -0.0001494300000000, 0.0000471100000000, -0.0000485900000000 ] - [ -0.0000466900000000, -0.0000624300000000, -0.0000524400000000 ] - [ -0.0018183700000000, -0.0006760000000000, -0.0010369200000000 ] - [ 0.0016352600000000, -0.0007261300000000, 0.0006652900000000 ] - [ 0.0001905400000000, 0.0000479600000000, -0.0000299600000000 ] - [ -0.0007778900000000, 0.0008074600000000, -0.0003671200000000 ] - [ 0.0001143600000000, 0.0001529000000000, -0.0001831600000000 ] - [ 0.0006640600000000, 0.0011058700000000, -0.0004775000000000 ] - [ 0.0004213100000000, -0.0005672500000000, -0.0003019200000000 ] - [ 0.0300447700000000, 0.0125290000000000, 0.0122584900000000 ] - [ 0.0001858300000000, 0.0000204700000000, -0.0000067900000000 ] - [ 0.0040123200000000, 0.0012409300000000, -0.0009425600000000 ] - [ 0.0002533100000000, -0.0000907100000000, -0.0004425700000000 ] - [ -0.0000781700000000, -0.0001202400000000, 0.0001319400000000 ] - [ 0.0004308200000000, 0.0002715100000000, -0.0004059600000000 ] - [ -0.0001183100000000, -0.0000180900000000, -0.0000082900000000 ] - [ -0.0009742400000000, 0.0000909500000000, 0.0002726900000000 ] - [ -0.0000540800000000, -0.0000768300000000, -0.0001813300000000 ] - [ -0.0003301600000000, 0.0001487300000000, 0.0000614800000000 ] - [ 0.0000377800000000, -0.0001431000000000, -0.0002968300000000 ] - [ -0.0003519000000000, -0.0002557700000000, -0.0000732600000000 ] - [ 0.0004611100000000, -0.0003160000000000, -0.0001132900000000 ] - [ 0.0002252200000000, 0.0001276300000000, -0.0001331700000000 ] - [ 0.0015708400000000, 0.0019787200000000, 0.0006873200000000 ] - [ 0.0002191500000000, 0.0000742800000000, -0.0000446900000000 ] - [ -0.0012408500000000, -0.0016626300000000, 0.0000411800000000 ] - [ -0.0006759800000000, 0.0053096500000000, 0.0044094200000000 ] - [ -0.1442536000000000, 0.0078122000000000, 0.0119354900000000 ] - [ -0.0003907600000000, -0.0003268500000000, -0.0000165800000000 ] - [ -0.0002502000000000, -0.0000827300000000, 0.0000524200000000 ] - [ -0.0087350100000000, 0.0054301200000000, 0.0209849200000000 ] - [ 0.0007809900000000, -0.0004663800000000, -0.0019885000000000 ] - [ -0.0002525200000000, -0.0005136900000000, 0.0002718700000000 ] - [ 0.0002661000000000, 0.0003454800000000, -0.0001582700000000 ] - [ -0.0001704200000000, -0.0000615100000000, 0.0000013700000000 ] - [ 0.0010392200000000, 0.0004406600000000, -0.0006534900000000 ] - [ 0.0002817400000000, -0.0000354600000000, 0.0004108400000000 ] - [ 0.0006444600000000, -0.0000408100000000, -0.0001652500000000 ] - [ -0.0000133400000000, -0.0000584300000000, 0.0001928500000000 ] - [ 0.0019035800000000, 0.0003258000000000, -0.0002993200000000 ] - [ 0.0000447500000000, -0.0000761000000000, 0.0000559700000000 ] - [ 0.0003886300000000, 0.0000364000000000, -0.0002248700000000 ] - [ 0.0005937600000000, -0.0000117000000000, 0.0006376000000000 ] - [ 0.0001016100000000, 0.0004506800000000, 0.0000780100000000 ] - [ 0.0179415500000000, -0.0024834600000000, -0.0153251900000000 ] - [ 0.0089328300000000, 0.0000988300000000, 0.0014502100000000 ] - [ 0.0002477000000000, 0.0000871500000000, 0.0004386900000000 ] - [ 0.0088691100000000, -0.0082432300000000, -0.0053412200000000 ] - [ 0.0000738600000000, -0.0000713400000000, 0.0001790300000000 ]- atom: 67 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ -0.0120408500000000, 0.0079854500000000, 0.0277120700000000 ] - [ 0.0001053600000000, -0.0000255900000000, -0.0000465400000000 ] - [ -0.0003253800000000, 0.0000211400000000, 0.0001105000000000 ] - [ -0.0001697700000000, -0.0000818200000000, 0.0000085400000000 ] - [ -0.0061517600000000, 0.0084912400000000, -0.0029705800000000 ] - [ 0.0000435500000000, 0.0000769300000000, -0.0000817500000000 ] - [ -0.0001509500000000, -0.0001972900000000, 0.0002961800000000 ] - [ 0.0002247900000000, 0.0000709600000000, 0.0001654700000000 ] - [ -0.0010153700000000, -0.0006244200000000, 0.0007121800000000 ] - [ 0.0000517300000000, 0.0001658100000000, -0.0000737000000000 ] - [ -0.0121687200000000, 0.0192508700000000, -0.0003012500000000 ] - [ -0.0001356600000000, -0.0003163500000000, -0.0001022900000000 ] - [ -0.0002818400000000, -0.0002174600000000, 0.0001112100000000 ] - [ -0.0021596100000000, 0.0008835600000000, 0.0004554000000000 ] - [ -0.0514829100000000, -0.0148351800000000, 0.0012765900000000 ] - [ -0.0000566300000000, 0.0001519600000000, 0.0001193500000000 ] - [ 0.0000174700000000, -0.0002079000000000, 0.0001068600000000 ] - [ -0.0000557500000000, 0.0002302400000000, -0.0002251200000000 ] - [ 0.0010177000000000, -0.0001869700000000, -0.0002831700000000 ] - [ -0.0000758500000000, -0.0000260600000000, 0.0003351800000000 ] - [ 0.0001143000000000, 0.0003762700000000, 0.0002361400000000 ] - [ -0.0000519600000000, 0.0000565400000000, -0.0000367100000000 ] - [ 0.0000686500000000, -0.0006045900000000, 0.0000409400000000 ] - [ -0.0001458000000000, 0.0000858800000000, -0.0001034900000000 ] - [ 0.0007242100000000, 0.0004326200000000, -0.0009802300000000 ] - [ 0.0000080300000000, 0.0000551400000000, -0.0000979700000000 ] - [ -0.0000135200000000, -0.0000757000000000, 0.0000067700000000 ] - [ -0.0000741000000000, 0.0001049000000000, -0.0000024000000000 ] - [ 0.0003024800000000, -0.0000169600000000, -0.0003527700000000 ] - [ 0.0001084400000000, -0.0000568200000000, -0.0000798600000000 ] - [ 0.0001055200000000, -0.0000917300000000, 0.0000122400000000 ] - [ 0.0000372400000000, 0.0000728700000000, 0.0000655900000000 ] - [ 0.0000521600000000, 0.0000694800000000, -0.0000241100000000 ] - [ 0.0002356200000000, -0.0000267400000000, -0.0000782100000000 ] - [ 0.0004430500000000, -0.0000961900000000, 0.0002058200000000 ] - [ 0.0001278700000000, -0.0000828700000000, 0.0000871000000000 ] - [ 0.0002500000000000, 0.0001646800000000, -0.0002750800000000 ] - [ 0.0001290800000000, -0.0000335900000000, -0.0001323300000000 ] - [ 0.0009126700000000, -0.0001018700000000, 0.0004551300000000 ] - [ 0.0000127500000000, 0.0000145800000000, -0.0000189500000000 ] - [ -0.0000292100000000, -0.0000140900000000, 0.0000187500000000 ] - [ 0.0017103800000000, 0.0007353400000000, 0.0009798900000000 ] - [ -0.0010868700000000, 0.0006176600000000, -0.0006590200000000 ] - [ 0.0003158600000000, 0.0000231000000000, 0.0000357700000000 ] - [ 0.0007823900000000, -0.0007133600000000, 0.0002104100000000 ] - [ -0.0001094900000000, -0.0002512900000000, 0.0000281400000000 ] - [ -0.0005877600000000, -0.0006735200000000, 0.0003447900000000 ] - [ -0.0003323200000000, 0.0001469200000000, 0.0001711500000000 ] - [ -0.0281934000000000, -0.0119470600000000, -0.0117243200000000 ] - [ 0.0000996300000000, 0.0001835800000000, -0.0000685400000000 ] - [ -0.0037112600000000, -0.0012358400000000, 0.0011404100000000 ] - [ 0.0000605000000000, 0.0001135500000000, 0.0006031100000000 ] - [ -0.0001967800000000, 0.0000525100000000, 0.0000918200000000 ] - [ -0.0006993100000000, -0.0001990200000000, 0.0006273100000000 ] - [ 0.0000063000000000, -0.0000867900000000, 0.0000189800000000 ] - [ 0.0008837300000000, 0.0000200600000000, -0.0002539600000000 ] - [ 0.0001939500000000, 0.0000121200000000, 0.0001628800000000 ] - [ 0.0004721000000000, -0.0000912800000000, -0.0000762300000000 ] - [ -0.0001402000000000, 0.0004383200000000, 0.0005261600000000 ] - [ 0.0002433300000000, -0.0000408300000000, 0.0003051800000000 ] - [ -0.0002958100000000, 0.0000048600000000, -0.0001049900000000 ] - [ -0.0000579600000000, 0.0001844100000000, -0.0000786200000000 ] - [ -0.0015998400000000, -0.0021783000000000, -0.0008334500000000 ] - [ -0.0002597200000000, 0.0001253800000000, -0.0000962700000000 ] - [ 0.0008917500000000, 0.0018734900000000, -0.0004155300000000 ] - [ 0.0003525400000000, -0.0055731300000000, -0.0047625900000000 ] - [ 0.1440024500000000, -0.0073810500000000, -0.0113218600000000 ] - [ 0.0002017100000000, 0.0001668800000000, -0.0000145200000000 ] - [ 0.0003253900000000, 0.0002227000000000, -0.0001768900000000 ] - [ 0.0087260200000000, -0.0056501300000000, -0.0212337500000000 ] - [ -0.0007413800000000, 0.0005130500000000, 0.0019432600000000 ] - [ 0.0002824300000000, 0.0004809200000000, -0.0003434400000000 ] - [ -0.0000720100000000, -0.0003786100000000, 0.0001896700000000 ] - [ 0.0003689500000000, 0.0000917600000000, 0.0000279500000000 ] - [ -0.0007321600000000, -0.0003852000000000, 0.0004660500000000 ] - [ 0.0000338500000000, -0.0000276200000000, -0.0006074500000000 ] - [ -0.0008436100000000, -0.0002202300000000, 0.0002716700000000 ] - [ -0.0001825500000000, 0.0003156900000000, -0.0000917900000000 ] - [ -0.0019070000000000, -0.0001629800000000, 0.0003596900000000 ] - [ -0.0000320300000000, -0.0000852700000000, 0.0000092700000000 ] - [ -0.0002330400000000, -0.0001340200000000, 0.0001234800000000 ] - [ -0.0004353100000000, 0.0001078400000000, -0.0007382700000000 ] - [ -0.0003073500000000, -0.0003826200000000, -0.0000268600000000 ] - [ -0.0176086400000000, 0.0024594000000000, 0.0151005700000000 ] - [ -0.0089622400000000, -0.0003008100000000, -0.0014020900000000 ] - [ -0.0003055900000000, 0.0001132500000000, -0.0003576300000000 ] - [ -0.0087829400000000, 0.0081478400000000, 0.0054176400000000 ] - [ -0.0000437900000000, 0.0001073900000000, -0.0000386700000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0067916600000000, 0.0054744900000000, 0.0174396800000000 ] - [ 0.0001245300000000, 0.0002292700000000, 0.0000314600000000 ] - [ -0.0000746300000000, 0.0000198600000000, 0.0000677200000000 ] - [ -0.0001585700000000, -0.0000253100000000, 0.0000387800000000 ] - [ -0.0072436100000000, 0.0333902500000000, -0.0213500900000000 ] - [ 0.0000302600000000, 0.0000619400000000, 0.0000506400000000 ] - [ 0.0001996200000000, -0.0007635500000000, 0.0006274400000000 ] - [ -0.0006506100000000, -0.0009655700000000, -0.0002751800000000 ] - [ 0.0010451100000000, 0.0016361900000000, -0.0003698100000000 ] - [ 0.0002038700000000, -0.0001462300000000, -0.0000315200000000 ] - [ -0.0204475500000000, 0.0498335300000000, -0.0069525500000000 ] - [ -0.0000183900000000, -0.0000448200000000, -0.0001510300000000 ] - [ -0.0001758600000000, -0.0003852100000000, 0.0000171100000000 ] - [ -0.0010077600000000, 0.0006792700000000, 0.0004543900000000 ] - [ 0.0148386600000000, 0.0095349300000000, 0.0025197300000000 ] - [ -0.0000073300000000, 0.0000845000000000, 0.0001637100000000 ] - [ 0.0003756900000000, -0.0003773100000000, 0.0001596300000000 ] - [ 0.0003098900000000, 0.0004145300000000, -0.0001073600000000 ] - [ -0.0005508000000000, 0.0004031500000000, 0.0006093900000000 ] - [ -0.0000000900000000, -0.0000961100000000, 0.0003066900000000 ] - [ -0.0001698600000000, -0.0002644100000000, -0.0000149800000000 ] - [ -0.0001183600000000, 0.0000113700000000, 0.0001122900000000 ] - [ 0.0004106400000000, -0.0008118200000000, 0.0000679400000000 ] - [ 0.0000270900000000, 0.0004227100000000, -0.0000127900000000 ] - [ 0.0001209400000000, 0.0000055900000000, 0.0000146400000000 ] - [ 0.0000277700000000, 0.0000460300000000, -0.0000815800000000 ] - [ -0.0000453600000000, -0.0002121600000000, 0.0000977700000000 ] - [ -0.0000748900000000, 0.0001288000000000, -0.0000483700000000 ] - [ 0.0000307500000000, 0.0001542700000000, 0.0000151600000000 ] - [ 0.0000436800000000, -0.0000896800000000, -0.0001809700000000 ] - [ 0.0000385500000000, -0.0001900500000000, -0.0000477200000000 ] - [ 0.0000053600000000, 0.0001404800000000, -0.0000773600000000 ] - [ -0.0000143300000000, -0.0000014600000000, -0.0000587700000000 ] - [ -0.0000894300000000, -0.0001784300000000, -0.0000251600000000 ] - [ -0.0000313900000000, 0.0002540300000000, 0.0000476800000000 ] - [ 0.0002069200000000, -0.0000481900000000, 0.0001642500000000 ] - [ 0.0000379500000000, -0.0000879500000000, -0.0000731700000000 ] - [ 0.0000999500000000, -0.0000004400000000, -0.0002151400000000 ] - [ -0.0000440700000000, 0.0001437800000000, -0.0000661200000000 ] - [ -0.0000593100000000, 0.0000203500000000, -0.0000250700000000 ] - [ -0.0000574800000000, -0.0002366200000000, -0.0001829700000000 ] - [ 0.0001607900000000, -0.0008110100000000, -0.0002406200000000 ] - [ -0.0002511900000000, 0.0001528900000000, -0.0003195100000000 ] - [ 0.0002418000000000, -0.0001320800000000, -0.0000045800000000 ] - [ 0.0006073800000000, -0.0018995100000000, 0.0002778500000000 ] - [ -0.0004743000000000, -0.0011705300000000, 0.0003772600000000 ] - [ 0.0004123700000000, 0.0020918400000000, 0.0004671800000000 ] - [ -0.0000620900000000, -0.0004835200000000, -0.0003202300000000 ] - [ 0.0137177200000000, 0.0105700300000000, 0.0093745800000000 ] - [ 0.0000453900000000, 0.0002080900000000, -0.0001837400000000 ] - [ 0.0017062500000000, 0.0032735600000000, -0.0001394000000000 ] - [ -0.0003645000000000, -0.0001912700000000, 0.0009827300000000 ] - [ -0.0001337100000000, -0.0001159100000000, 0.0000993700000000 ] - [ -0.0003085000000000, -0.0003642600000000, -0.0001023900000000 ] - [ -0.0000743900000000, -0.0000177100000000, -0.0000271800000000 ] - [ -0.0004276000000000, -0.0001686300000000, 0.0004411600000000 ] - [ 0.0000312400000000, -0.0003040600000000, 0.0001771400000000 ] - [ 0.0004766000000000, -0.0005416500000000, -0.0004472900000000 ] - [ 0.0003318800000000, 0.0006014900000000, -0.0002893800000000 ] - [ 0.0003128600000000, -0.0011440400000000, 0.0007501600000000 ] - [ -0.0004151600000000, 0.0000757700000000, -0.0001726000000000 ] - [ 0.0001133200000000, 0.0002198000000000, -0.0001473200000000 ] - [ 0.0007185100000000, 0.0004650700000000, 0.0001485600000000 ] - [ -0.0002642200000000, -0.0001765800000000, 0.0001114100000000 ] - [ -0.0001521700000000, 0.0013149000000000, 0.0012637300000000 ] - [ 0.0084909500000000, -0.0017626600000000, -0.0203430300000000 ] - [ 0.0075331500000000, -0.1483480500000000, -0.0048794400000000 ] - [ 0.0001527900000000, -0.0000695100000000, -0.0003153800000000 ] - [ 0.0002456000000000, 0.0007798800000000, -0.0006606200000000 ] - [ -0.0003251900000000, 0.0086530200000000, 0.0112052400000000 ] - [ -0.0023517100000000, -0.0018047900000000, -0.0001913800000000 ] - [ -0.0001246800000000, 0.0007230800000000, -0.0006621400000000 ] - [ -0.0001483700000000, 0.0004647700000000, 0.0000391800000000 ] - [ 0.0000343400000000, -0.0000912400000000, 0.0002180600000000 ] - [ 0.0010399500000000, 0.0004504500000000, -0.0005059600000000 ] - [ 0.0003672900000000, 0.0003006500000000, 0.0000200400000000 ] - [ -0.0007460400000000, 0.0001012800000000, 0.0001061300000000 ] - [ -0.0002521100000000, 0.0000093100000000, 0.0002360900000000 ] - [ 0.0002531000000000, -0.0000350500000000, -0.0001631800000000 ] - [ -0.0000087400000000, -0.0001978700000000, 0.0000666100000000 ] - [ -0.0000659900000000, 0.0000306200000000, 0.0000718800000000 ] - [ 0.0001635500000000, 0.0001736700000000, 0.0000229900000000 ] - [ -0.0000273900000000, 0.0000504200000000, 0.0002669800000000 ] - [ 0.0011326300000000, 0.0018847500000000, -0.0070103400000000 ] - [ 0.0003482500000000, 0.0093513300000000, -0.0016051900000000 ] - [ -0.0002996100000000, 0.0019470800000000, 0.0002795800000000 ] - [ -0.0117947100000000, 0.0172138600000000, 0.0196988700000000 ] - [ 0.0000888200000000, 0.0005583200000000, -0.0006302700000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0069866400000000, -0.0053915600000000, -0.0177010800000000 ] - [ 0.0000156600000000, -0.0002095100000000, -0.0001680300000000 ] - [ -0.0001825500000000, 0.0001523200000000, 0.0000022200000000 ] - [ -0.0001000300000000, -0.0001460300000000, 0.0000308600000000 ] - [ 0.0079773100000000, -0.0353910500000000, 0.0222563500000000 ] - [ 0.0000913900000000, 0.0002758900000000, -0.0000779400000000 ] - [ -0.0003782400000000, 0.0005993400000000, -0.0006183900000000 ] - [ 0.0004743900000000, 0.0011362000000000, 0.0002874600000000 ] - [ -0.0009234900000000, -0.0022636400000000, 0.0002242500000000 ] - [ -0.0000662100000000, 0.0007248800000000, -0.0000900500000000 ] - [ 0.0196205600000000, -0.0480980000000000, 0.0063786900000000 ] - [ 0.0000711300000000, 0.0003237300000000, 0.0004033100000000 ] - [ 0.0000660600000000, 0.0002128700000000, 0.0002839100000000 ] - [ 0.0008938100000000, -0.0005034900000000, -0.0001339700000000 ] - [ -0.0149546300000000, -0.0098842100000000, -0.0023981500000000 ] - [ 0.0000799800000000, 0.0002748700000000, 0.0000070400000000 ] - [ -0.0003969900000000, -0.0000306000000000, -0.0000215400000000 ] - [ -0.0003345700000000, -0.0000084500000000, 0.0002440700000000 ] - [ 0.0006908200000000, -0.0004082100000000, -0.0001271000000000 ] - [ 0.0001313400000000, 0.0001000700000000, 0.0001796800000000 ] - [ -0.0000001900000000, 0.0002894600000000, 0.0001609600000000 ] - [ -0.0000516600000000, -0.0000367800000000, 0.0000327200000000 ] - [ -0.0007999900000000, 0.0003996500000000, -0.0000301100000000 ] - [ -0.0004254700000000, -0.0000180100000000, 0.0000501800000000 ] - [ -0.0001495800000000, -0.0001647200000000, -0.0002859800000000 ] - [ -0.0000575000000000, 0.0001131200000000, -0.0001874800000000 ] - [ -0.0001192000000000, -0.0000176300000000, -0.0000328800000000 ] - [ -0.0000905800000000, 0.0001004200000000, 0.0001118900000000 ] - [ 0.0000985100000000, -0.0000644700000000, -0.0003272700000000 ] - [ 0.0000854200000000, -0.0000005100000000, -0.0001318400000000 ] - [ -0.0000990700000000, 0.0000191300000000, 0.0000844000000000 ] - [ -0.0000686500000000, 0.0000295500000000, 0.0001132500000000 ] - [ 0.0000055600000000, 0.0002171500000000, -0.0000643100000000 ] - [ 0.0000808100000000, -0.0000368500000000, -0.0000973500000000 ] - [ 0.0001263000000000, 0.0000129100000000, 0.0000806500000000 ] - [ -0.0001103000000000, -0.0002184400000000, -0.0000352800000000 ] - [ -0.0001061900000000, 0.0000791100000000, -0.0001513000000000 ] - [ -0.0001695400000000, 0.0000077500000000, -0.0000095700000000 ] - [ -0.0000944500000000, -0.0002057300000000, 0.0000003600000000 ] - [ -0.0000776000000000, 0.0000413900000000, -0.0000424800000000 ] - [ -0.0000192900000000, 0.0001598000000000, 0.0001484800000000 ] - [ -0.0002309700000000, 0.0008908900000000, 0.0002140100000000 ] - [ 0.0007619400000000, -0.0002138800000000, 0.0003360800000000 ] - [ 0.0002641100000000, 0.0002032900000000, 0.0000098400000000 ] - [ -0.0006071000000000, 0.0020224900000000, -0.0004481200000000 ] - [ 0.0004790100000000, 0.0010732100000000, -0.0005325900000000 ] - [ -0.0003015800000000, -0.0016570000000000, -0.0006085200000000 ] - [ 0.0001511200000000, 0.0000664300000000, 0.0001899300000000 ] - [ -0.0132460600000000, -0.0108188500000000, -0.0093594800000000 ] - [ 0.0002394400000000, -0.0000029300000000, 0.0001075600000000 ] - [ -0.0014001700000000, -0.0032251400000000, 0.0003575600000000 ] - [ 0.0006819000000000, 0.0002158400000000, -0.0008237800000000 ] - [ -0.0001407500000000, 0.0000467800000000, 0.0001248100000000 ] - [ 0.0000283500000000, 0.0004329300000000, 0.0003216400000000 ] - [ -0.0000382700000000, -0.0000866700000000, 0.0000382300000000 ] - [ 0.0003166700000000, 0.0002765600000000, -0.0004302100000000 ] - [ 0.0001086600000000, 0.0002386700000000, -0.0001982400000000 ] - [ -0.0003312800000000, 0.0005986100000000, 0.0004355100000000 ] - [ -0.0004329400000000, -0.0002788800000000, 0.0005217800000000 ] - [ -0.0004175300000000, 0.0008358100000000, -0.0005159400000000 ] - [ 0.0005842900000000, -0.0003885600000000, -0.0000438200000000 ] - [ 0.0000552100000000, 0.0000922000000000, -0.0000650000000000 ] - [ -0.0007535300000000, -0.0006661000000000, -0.0002923200000000 ] - [ 0.0002240100000000, 0.0003794700000000, -0.0002546700000000 ] - [ -0.0001966500000000, -0.0011143600000000, -0.0016240600000000 ] - [ -0.0088132300000000, 0.0016348000000000, 0.0198167900000000 ] - [ -0.0077162400000000, 0.1484113300000000, 0.0052124400000000 ] - [ -0.0003445500000000, -0.0000923100000000, 0.0002872900000000 ] - [ -0.0001749100000000, -0.0006378900000000, 0.0005383500000000 ] - [ 0.0003670300000000, -0.0088446900000000, -0.0114300300000000 ] - [ 0.0023838000000000, 0.0018520000000000, 0.0001260500000000 ] - [ 0.0001553700000000, -0.0007541200000000, 0.0005869900000000 ] - [ 0.0003428600000000, -0.0004911400000000, -0.0000055100000000 ] - [ 0.0001650100000000, 0.0001169800000000, -0.0001825500000000 ] - [ -0.0007259800000000, -0.0003941200000000, 0.0003125200000000 ] - [ -0.0000453700000000, -0.0003565100000000, -0.0002160100000000 ] - [ 0.0005460300000000, -0.0003581700000000, -0.0000004200000000 ] - [ 0.0000567300000000, 0.0002502000000000, -0.0001338900000000 ] - [ -0.0002434000000000, 0.0001963200000000, 0.0002243700000000 ] - [ 0.0000212900000000, 0.0000355100000000, -0.0000035200000000 ] - [ 0.0002176500000000, -0.0001271700000000, -0.0001707500000000 ] - [ -0.0000047700000000, -0.0000780400000000, -0.0001243700000000 ] - [ -0.0001744700000000, 0.0000138500000000, -0.0002146800000000 ] - [ -0.0013788100000000, -0.0019551200000000, 0.0070552500000000 ] - [ -0.0004062800000000, -0.0095626100000000, 0.0016679100000000 ] - [ 0.0002459500000000, -0.0017429000000000, -0.0002035800000000 ] - [ 0.0120669500000000, -0.0176889800000000, -0.0197264500000000 ] - [ -0.0000582400000000, -0.0005197500000000, 0.0007749600000000 ]- atom: 67 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ -0.0262099700000000, 0.0181311600000000, 0.0625928900000000 ] - [ 0.0000848400000000, 0.0000702200000000, 0.0000166700000000 ] - [ -0.0001842400000000, 0.0001204200000000, 0.0001036700000000 ] - [ -0.0001017100000000, -0.0000860800000000, 0.0000254400000000 ] - [ 0.0027171200000000, -0.0211890600000000, 0.0266438300000000 ] - [ 0.0000558900000000, -0.0000205400000000, -0.0004814800000000 ] - [ -0.0001320800000000, 0.0000711100000000, -0.0000986500000000 ] - [ -0.0017148100000000, -0.0007967200000000, -0.0013428300000000 ] - [ -0.0004070500000000, 0.0000976700000000, 0.0013078200000000 ] - [ 0.0000249600000000, 0.0002999900000000, -0.0001402400000000 ] - [ 0.0011476500000000, -0.0072313300000000, 0.0111893000000000 ] - [ -0.0002623800000000, -0.0007899900000000, -0.0005703100000000 ] - [ -0.0001234000000000, -0.0006648900000000, 0.0000138600000000 ] - [ 0.0005262300000000, -0.0000401300000000, 0.0015709300000000 ] - [ -0.0003002000000000, 0.0023888100000000, 0.0103402000000000 ] - [ 0.0001362200000000, 0.0001578900000000, -0.0000696500000000 ] - [ -0.0001961000000000, -0.0000978600000000, 0.0001228800000000 ] - [ 0.0003054200000000, 0.0004223800000000, -0.0003161800000000 ] - [ 0.0006240100000000, 0.0002007000000000, 0.0001849500000000 ] - [ 0.0000166500000000, 0.0000433100000000, 0.0002251000000000 ] - [ -0.0001596100000000, -0.0000929500000000, 0.0000822000000000 ] - [ -0.0000934700000000, 0.0000770600000000, -0.0000618800000000 ] - [ -0.0005394800000000, 0.0001122000000000, 0.0000340400000000 ] - [ 0.0003045000000000, 0.0002612600000000, -0.0001908600000000 ] - [ 0.0004600700000000, -0.0001031300000000, 0.0002337600000000 ] - [ -0.0000523600000000, 0.0000433400000000, -0.0003008100000000 ] - [ -0.0000744000000000, -0.0001574700000000, 0.0002838500000000 ] - [ -0.0000851600000000, 0.0000557200000000, -0.0003170100000000 ] - [ 0.0001794500000000, 0.0002058300000000, 0.0002257500000000 ] - [ 0.0000111700000000, -0.0000079300000000, -0.0003389200000000 ] - [ -0.0000114500000000, -0.0000371900000000, 0.0001801700000000 ] - [ 0.0000433700000000, 0.0002919200000000, -0.0004016800000000 ] - [ 0.0000663800000000, -0.0000272700000000, -0.0000512100000000 ] - [ 0.0000753300000000, 0.0000336100000000, -0.0000377700000000 ] - [ 0.0001146900000000, 0.0000567900000000, 0.0001873100000000 ] - [ 0.0000782800000000, -0.0000590900000000, 0.0000234600000000 ] - [ -0.0001294400000000, -0.0000868500000000, -0.0000044700000000 ] - [ 0.0001819600000000, -0.0001254000000000, -0.0003528600000000 ] - [ -0.0002806300000000, -0.0000038900000000, -0.0000433500000000 ] - [ -0.0000386600000000, -0.0000063600000000, -0.0000801700000000 ] - [ -0.0001329400000000, -0.0000508100000000, 0.0001473900000000 ] - [ 0.0008935400000000, 0.0006844400000000, -0.0004381900000000 ] - [ 0.0002391600000000, -0.0002219900000000, 0.0020700700000000 ] - [ 0.0001021800000000, -0.0000678000000000, -0.0001871600000000 ] - [ 0.0004473500000000, -0.0010914000000000, -0.0003089200000000 ] - [ 0.0001019800000000, 0.0001948300000000, -0.0001220200000000 ] - [ -0.0006727100000000, 0.0003339900000000, 0.0008661100000000 ] - [ -0.0001913800000000, -0.0005375100000000, -0.0001365800000000 ] - [ 0.0139419900000000, 0.0098810300000000, 0.0164080800000000 ] - [ 0.0000567700000000, 0.0002988100000000, -0.0004298800000000 ] - [ -0.0001751200000000, -0.0003928300000000, 0.0052297300000000 ] - [ -0.0000690000000000, 0.0006311600000000, -0.0003128000000000 ] - [ -0.0000396900000000, 0.0000892300000000, 0.0003279900000000 ] - [ -0.0006661800000000, 0.0001260400000000, -0.0002967100000000 ] - [ -0.0001273800000000, -0.0001278000000000, -0.0002074100000000 ] - [ -0.0003465600000000, 0.0002498900000000, 0.0007581700000000 ] - [ -0.0001134800000000, 0.0001195900000000, 0.0000437700000000 ] - [ 0.0000068800000000, -0.0005346500000000, 0.0008842600000000 ] - [ -0.0002979400000000, 0.0000942000000000, 0.0005060500000000 ] - [ -0.0002799500000000, 0.0011620700000000, -0.0011685700000000 ] - [ 0.0002207400000000, -0.0002179000000000, -0.0006886300000000 ] - [ -0.0000943300000000, 0.0002271300000000, 0.0003655000000000 ] - [ 0.0004313200000000, 0.0003150200000000, -0.0000773300000000 ] - [ -0.0002071600000000, -0.0001808700000000, 0.0004452500000000 ] - [ 0.0021346100000000, 0.0046328700000000, 0.0002319500000000 ] - [ -0.0008542000000000, -0.0095000300000000, 0.0195394900000000 ] - [ 0.0109658200000000, -0.0045314700000000, -0.1710859700000000 ] - [ -0.0000995800000000, 0.0002212200000000, 0.0009977400000000 ] - [ -0.0002167200000000, 0.0000111800000000, 0.0001474300000000 ] - [ 0.0080317400000000, 0.0074669900000000, 0.0156127900000000 ] - [ -0.0044793800000000, -0.0017988800000000, 0.0011450700000000 ] - [ 0.0002878900000000, -0.0003836500000000, 0.0002269300000000 ] - [ 0.0002120100000000, 0.0000537600000000, -0.0005956400000000 ] - [ 0.0001669900000000, -0.0001764400000000, 0.0009642800000000 ] - [ -0.0000674600000000, -0.0002607800000000, -0.0003131700000000 ] - [ 0.0002101200000000, 0.0002289700000000, 0.0000616500000000 ] - [ 0.0002287300000000, -0.0003272100000000, -0.0002143500000000 ] - [ -0.0002637000000000, 0.0002446400000000, 0.0003595500000000 ] - [ 0.0003714600000000, 0.0003064700000000, -0.0008345300000000 ] - [ -0.0000334100000000, -0.0000613700000000, 0.0004886300000000 ] - [ -0.0000114700000000, 0.0001007100000000, -0.0001319200000000 ] - [ 0.0003067600000000, 0.0000312900000000, 0.0004122300000000 ] - [ 0.0000897400000000, -0.0000568600000000, 0.0003124400000000 ] - [ -0.0076417100000000, -0.0046135900000000, -0.0004987700000000 ] - [ 0.0015347700000000, -0.0010168000000000, 0.0068260600000000 ] - [ 0.0003223100000000, -0.0004523800000000, -0.0009753700000000 ] - [ -0.0001781500000000, 0.0076236700000000, -0.0073241500000000 ] - [ -0.0001028900000000, -0.0002434400000000, 0.0005817500000000 ]- atom: 67 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0274039900000000, -0.0189361700000000, -0.0649383800000000 ] - [ 0.0000541900000000, -0.0000509200000000, -0.0001521000000000 ] - [ -0.0000717900000000, 0.0000525500000000, -0.0000330500000000 ] - [ -0.0001547500000000, -0.0000856800000000, 0.0000454200000000 ] - [ -0.0024933200000000, 0.0204459100000000, -0.0265872000000000 ] - [ 0.0000660800000000, 0.0003618700000000, 0.0004532100000000 ] - [ -0.0000452600000000, -0.0002371100000000, 0.0001095500000000 ] - [ 0.0015413000000000, 0.0009603400000000, 0.0013519900000000 ] - [ 0.0005570000000000, -0.0006733000000000, -0.0014183700000000 ] - [ 0.0001110300000000, 0.0002766400000000, 0.0000177600000000 ] - [ -0.0011604200000000, 0.0071143100000000, -0.0109691700000000 ] - [ 0.0003113900000000, 0.0010624200000000, 0.0008188200000000 ] - [ 0.0000131900000000, 0.0004868500000000, 0.0002849300000000 ] - [ -0.0006469600000000, 0.0002111000000000, -0.0013049800000000 ] - [ 0.0004151300000000, -0.0027245800000000, -0.0101683600000000 ] - [ -0.0000632700000000, 0.0002018200000000, 0.0002412500000000 ] - [ 0.0001733100000000, -0.0003078100000000, 0.0000184100000000 ] - [ -0.0003277100000000, -0.0000164600000000, 0.0004554600000000 ] - [ -0.0004828100000000, -0.0002061900000000, 0.0002963700000000 ] - [ 0.0001153100000000, -0.0000356700000000, 0.0002584800000000 ] - [ -0.0000093600000000, 0.0001177400000000, 0.0000643100000000 ] - [ -0.0000755600000000, -0.0001017200000000, 0.0002061500000000 ] - [ 0.0001428200000000, -0.0005160800000000, 0.0000034000000000 ] - [ -0.0006960900000000, 0.0001457900000000, 0.0002265700000000 ] - [ -0.0004835300000000, -0.0000544500000000, -0.0005045500000000 ] - [ 0.0000218800000000, 0.0001156600000000, 0.0000309000000000 ] - [ -0.0000906200000000, -0.0000753300000000, -0.0002166900000000 ] - [ -0.0000798000000000, 0.0001761000000000, 0.0003807000000000 ] - [ -0.0000531700000000, -0.0001205100000000, -0.0005378900000000 ] - [ 0.0001157200000000, -0.0000780200000000, 0.0000263600000000 ] - [ -0.0000533600000000, -0.0001298100000000, -0.0001433600000000 ] - [ -0.0001066300000000, -0.0001228500000000, 0.0004342200000000 ] - [ -0.0000795700000000, 0.0002433100000000, -0.0000741500000000 ] - [ -0.0000868900000000, -0.0002488100000000, -0.0000885700000000 ] - [ -0.0000205500000000, 0.0002078000000000, -0.0000598600000000 ] - [ 0.0000146400000000, -0.0002068800000000, 0.0001033800000000 ] - [ 0.0000591300000000, 0.0000785600000000, -0.0002175200000000 ] - [ -0.0002482700000000, 0.0001321000000000, 0.0001284800000000 ] - [ 0.0001426600000000, -0.0000595900000000, -0.0000288200000000 ] - [ -0.0000981300000000, 0.0000700100000000, 0.0000082900000000 ] - [ 0.0000543800000000, -0.0000261600000000, -0.0001843000000000 ] - [ -0.0009541500000000, -0.0005950200000000, 0.0004122400000000 ] - [ 0.0002546800000000, 0.0001552600000000, -0.0020623500000000 ] - [ 0.0003996300000000, 0.0001365800000000, 0.0001907700000000 ] - [ -0.0004354700000000, 0.0011727000000000, 0.0001682900000000 ] - [ -0.0000937900000000, -0.0002912800000000, -0.0000389400000000 ] - [ 0.0007764700000000, 0.0000792700000000, -0.0009909800000000 ] - [ 0.0002837100000000, 0.0001148500000000, 0.0000034400000000 ] - [ -0.0135690100000000, -0.0100080200000000, -0.0165220900000000 ] - [ 0.0002299700000000, -0.0000958500000000, 0.0003504100000000 ] - [ 0.0003949000000000, 0.0005334700000000, -0.0046870800000000 ] - [ 0.0003765700000000, -0.0005935000000000, 0.0004682500000000 ] - [ -0.0002330100000000, -0.0001558200000000, -0.0001049200000000 ] - [ 0.0003804600000000, -0.0000628200000000, 0.0005161700000000 ] - [ 0.0000133000000000, 0.0000219200000000, 0.0002190600000000 ] - [ 0.0002284700000000, -0.0001494900000000, -0.0007452700000000 ] - [ 0.0002577500000000, -0.0001933700000000, -0.0000664700000000 ] - [ 0.0001298500000000, 0.0006077000000000, -0.0008995600000000 ] - [ 0.0001906300000000, 0.0002034700000000, -0.0002737300000000 ] - [ 0.0001817800000000, -0.0014716400000000, 0.0014131800000000 ] - [ -0.0000503900000000, -0.0000970100000000, 0.0004762200000000 ] - [ 0.0002594900000000, 0.0000869700000000, -0.0005787400000000 ] - [ -0.0004674300000000, -0.0005146500000000, -0.0000677200000000 ] - [ 0.0001670700000000, 0.0003808300000000, -0.0005895600000000 ] - [ -0.0024715600000000, -0.0043928900000000, -0.0005922200000000 ] - [ 0.0006065100000000, 0.0094548100000000, -0.0205206100000000 ] - [ -0.0125079000000000, 0.0055959700000000, 0.1743158100000000 ] - [ -0.0000989400000000, -0.0003823400000000, -0.0010172400000000 ] - [ 0.0002862500000000, 0.0001313100000000, -0.0002684600000000 ] - [ -0.0080138200000000, -0.0078028100000000, -0.0161614700000000 ] - [ 0.0044868300000000, 0.0018249700000000, -0.0011945000000000 ] - [ -0.0002494700000000, 0.0003457800000000, -0.0002979700000000 ] - [ -0.0000126700000000, -0.0000811400000000, 0.0006228600000000 ] - [ 0.0000360400000000, 0.0002024700000000, -0.0009279200000000 ] - [ 0.0003910600000000, 0.0003141400000000, 0.0001251500000000 ] - [ 0.0001159600000000, -0.0002806700000000, -0.0002514800000000 ] - [ -0.0004135800000000, 0.0000720600000000, 0.0003171700000000 ] - [ 0.0000725900000000, 0.0000133300000000, -0.0002540400000000 ] - [ -0.0003577800000000, -0.0001422500000000, 0.0008961300000000 ] - [ 0.0000469500000000, -0.0001021800000000, -0.0004255600000000 ] - [ 0.0001734900000000, -0.0001996100000000, 0.0000310600000000 ] - [ -0.0001504600000000, 0.0000637900000000, -0.0005057900000000 ] - [ -0.0002888400000000, 0.0001222500000000, -0.0002543000000000 ] - [ 0.0074837300000000, 0.0044966700000000, 0.0004117800000000 ] - [ -0.0015382300000000, 0.0007777700000000, -0.0069057700000000 ] - [ -0.0003882500000000, 0.0006498400000000, 0.0010534300000000 ] - [ 0.0002545700000000, -0.0076766800000000, 0.0073095700000000 ] - [ 0.0001307200000000, 0.0002840900000000, -0.0004333600000000 ]- atom: 69 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000607500000000, 0.0000111300000000, -0.0000522600000000 ] - [ 0.0662252000000000, -0.0299069800000000, 0.0182778200000000 ] - [ -0.0000532100000000, 0.0000202100000000, 0.0000700000000000 ] - [ -0.0000345100000000, -0.0000890700000000, 0.0001100400000000 ] - [ 0.0000753600000000, -0.0004459900000000, 0.0002914800000000 ] - [ 0.0014430000000000, -0.0001763200000000, 0.0001776400000000 ] - [ 0.0104739800000000, 0.0003805800000000, -0.0064440400000000 ] - [ -0.0000609500000000, -0.0000010700000000, -0.0001139300000000 ] - [ 0.0001098800000000, -0.0005545700000000, 0.0000789700000000 ] - [ 0.0094749500000000, -0.0002097200000000, 0.0022753400000000 ] - [ 0.0000856600000000, -0.0000806000000000, 0.0001195000000000 ] - [ 0.0019514800000000, 0.0001233800000000, 0.0001491700000000 ] - [ 0.0212564000000000, 0.0143913800000000, 0.0116781300000000 ] - [ 0.0001517100000000, 0.0001015200000000, 0.0002159000000000 ] - [ 0.0003225300000000, -0.0001458100000000, 0.0000304400000000 ] - [ 0.0263834000000000, 0.0010701400000000, -0.0198071900000000 ] - [ 0.0004724500000000, -0.0003998500000000, -0.0000923400000000 ] - [ 0.0004094500000000, 0.0002868300000000, 0.0001951100000000 ] - [ 0.0004862700000000, 0.0005302400000000, 0.0002001300000000 ] - [ -0.0000011500000000, -0.0000374400000000, 0.0003765400000000 ] - [ -0.0002788600000000, -0.0000438300000000, -0.0007106700000000 ] - [ -0.0001530600000000, 0.0005293300000000, 0.0002701200000000 ] - [ -0.0000605300000000, -0.0003467100000000, -0.0000107000000000 ] - [ -0.0002152700000000, 0.0000334900000000, 0.0000089500000000 ] - [ 0.0000781500000000, -0.0000242800000000, -0.0001778400000000 ] - [ -0.0000711700000000, 0.0001446100000000, 0.0000126800000000 ] - [ -0.0002467600000000, -0.0003341400000000, -0.0003500400000000 ] - [ -0.0001061300000000, 0.0002092100000000, 0.0001904300000000 ] - [ -0.0001962600000000, 0.0004939600000000, -0.0001445300000000 ] - [ -0.0000871500000000, -0.0000397400000000, -0.0001892400000000 ] - [ -0.0008506200000000, -0.0002951100000000, -0.0009178600000000 ] - [ -0.0002140500000000, 0.0000368200000000, 0.0001402600000000 ] - [ -0.0001986700000000, 0.0002289200000000, -0.0001188400000000 ] - [ -0.0004597000000000, 0.0002483800000000, 0.0001276700000000 ] - [ -0.0001899000000000, 0.0003369900000000, -0.0000464600000000 ] - [ -0.0001783600000000, -0.0003189900000000, -0.0000640600000000 ] - [ -0.0004131700000000, -0.0001351000000000, 0.0000483300000000 ] - [ -0.0004382000000000, 0.0001208200000000, 0.0001008800000000 ] - [ -0.0004165200000000, -0.0000596100000000, -0.0001256300000000 ] - [ -0.0005323700000000, 0.0000882800000000, -0.0002746400000000 ] - [ -0.0015000100000000, -0.0006015800000000, 0.0018608700000000 ] - [ -0.0002523100000000, -0.0000096800000000, 0.0000121400000000 ] - [ 0.0000259000000000, -0.0000446900000000, -0.0000639000000000 ] - [ -0.0012488400000000, -0.0015503000000000, -0.0008318900000000 ] - [ -0.0000751600000000, 0.0000623100000000, -0.0000340400000000 ] - [ 0.0010269100000000, 0.0003264500000000, -0.0000941000000000 ] - [ 0.0000002800000000, 0.0002613600000000, -0.0000937500000000 ] - [ -0.0002818500000000, 0.0008780200000000, 0.0005817900000000 ] - [ 0.0000871300000000, -0.0000264700000000, 0.0000625400000000 ] - [ -0.0001186700000000, 0.0006312400000000, -0.0013263400000000 ] - [ 0.0009205200000000, 0.0001884300000000, 0.0002862400000000 ] - [ 0.0011083400000000, -0.0000136800000000, -0.0007084600000000 ] - [ 0.0087606900000000, -0.0012044500000000, 0.0017454700000000 ] - [ 0.0000978500000000, 0.0001660700000000, 0.0002133700000000 ] - [ -0.0000883400000000, -0.0001886100000000, 0.0000484900000000 ] - [ -0.0003048000000000, -0.0000436400000000, -0.0000800700000000 ] - [ -0.0004528100000000, -0.0006003600000000, 0.0000816200000000 ] - [ -0.0003788900000000, -0.0000563800000000, 0.0003566800000000 ] - [ 0.0007059900000000, -0.0003722700000000, -0.0000704300000000 ] - [ -0.0000446900000000, -0.0001305300000000, 0.0000187800000000 ] - [ 0.0008742200000000, -0.0001433400000000, -0.0001141500000000 ] - [ 0.0005970600000000, 0.0002060800000000, 0.0001125300000000 ] - [ 0.0005778800000000, -0.0002496100000000, -0.0003852900000000 ] - [ 0.0005036600000000, -0.0000860200000000, -0.0000055900000000 ] - [ -0.0037455100000000, -0.0086215900000000, -0.0056376600000000 ] - [ -0.0002560200000000, -0.0002694000000000, -0.0001031800000000 ] - [ -0.0003833800000000, 0.0002858800000000, -0.0002707400000000 ] - [ -0.0087530800000000, 0.0002366400000000, 0.0080274300000000 ] - [ -0.1795522300000000, 0.0183737700000000, -0.0094830500000000 ] - [ -0.0006962900000000, 0.0000943600000000, -0.0000253100000000 ] - [ -0.0010539400000000, 0.0003630200000000, 0.0002451300000000 ] - [ -0.0012525000000000, 0.0004131900000000, -0.0004234600000000 ] - [ 0.0008047200000000, 0.0023851900000000, 0.0046439400000000 ] - [ -0.0001556200000000, -0.0001989900000000, -0.0002605200000000 ] - [ 0.0012768000000000, -0.0047841300000000, -0.0018896300000000 ] - [ 0.0003685100000000, -0.0002778100000000, -0.0000603700000000 ] - [ 0.0001893100000000, 0.0001474500000000, 0.0000255600000000 ] - [ 0.0003387500000000, 0.0003442800000000, -0.0000034900000000 ] - [ 0.0002895100000000, -0.0000722500000000, 0.0002015800000000 ] - [ 0.0005271900000000, -0.0001443900000000, -0.0002141800000000 ] - [ 0.0010341800000000, -0.0000850500000000, 0.0002654000000000 ] - [ 0.0010452000000000, 0.0000819400000000, -0.0003004000000000 ] - [ 0.0068253900000000, 0.0016541700000000, -0.0009861200000000 ] - [ 0.0004217200000000, -0.0000988800000000, 0.0000355400000000 ] - [ 0.0001538000000000, -0.0000859600000000, 0.0002769300000000 ] - [ 0.0207926300000000, -0.0009723200000000, -0.0086658500000000 ] - [ 0.0004021800000000, 0.0001988000000000, -0.0002722500000000 ] - [ 0.0168345400000000, 0.0078924200000000, 0.0077969500000000 ]- atom: 69 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000791200000000, -0.0000324600000000, -0.0000832700000000 ] - [ -0.0639022100000000, 0.0288005900000000, -0.0176332100000000 ] - [ -0.0002050900000000, 0.0001498300000000, -0.0000016400000000 ] - [ -0.0002235200000000, -0.0000813600000000, -0.0000383500000000 ] - [ 0.0000455900000000, 0.0001102800000000, -0.0003190100000000 ] - [ -0.0013344400000000, 0.0004994700000000, -0.0002028600000000 ] - [ -0.0106136800000000, -0.0004949100000000, 0.0063238600000000 ] - [ -0.0001182500000000, 0.0001690400000000, 0.0001265600000000 ] - [ 0.0000269600000000, -0.0000216400000000, -0.0001999300000000 ] - [ -0.0093171200000000, 0.0007622900000000, -0.0024090400000000 ] - [ -0.0000373700000000, -0.0001880100000000, 0.0001294200000000 ] - [ -0.0019067600000000, 0.0001555700000000, 0.0000977200000000 ] - [ -0.0213310000000000, -0.0147068000000000, -0.0114760500000000 ] - [ -0.0002629700000000, 0.0000718300000000, 0.0000858700000000 ] - [ -0.0002528000000000, -0.0002127700000000, 0.0001421900000000 ] - [ -0.0263562500000000, -0.0007815500000000, 0.0203363800000000 ] - [ -0.0004970900000000, -0.0000049000000000, 0.0002326800000000 ] - [ -0.0004357300000000, 0.0001189200000000, -0.0000578300000000 ] - [ -0.0003525200000000, -0.0005426300000000, 0.0002838300000000 ] - [ 0.0001346900000000, 0.0000430300000000, 0.0001074400000000 ] - [ 0.0001122800000000, 0.0000722600000000, 0.0008658400000000 ] - [ -0.0000156500000000, -0.0005626900000000, -0.0001259900000000 ] - [ -0.0003367500000000, -0.0000577400000000, 0.0000474800000000 ] - [ -0.0001798300000000, 0.0003738200000000, 0.0000272500000000 ] - [ -0.0001084300000000, -0.0001349200000000, -0.0000918200000000 ] - [ 0.0000439500000000, 0.0000154500000000, -0.0002835600000000 ] - [ 0.0000839100000000, 0.0001064000000000, 0.0004190900000000 ] - [ -0.0000590200000000, 0.0000185200000000, -0.0001277600000000 ] - [ 0.0003263900000000, -0.0004064600000000, -0.0001677800000000 ] - [ 0.0002181400000000, -0.0000496500000000, -0.0001225800000000 ] - [ 0.0007890500000000, 0.0001225300000000, 0.0009504300000000 ] - [ 0.0001533500000000, 0.0001337700000000, -0.0001037400000000 ] - [ 0.0001912100000000, -0.0000133500000000, -0.0000045800000000 ] - [ 0.0004522900000000, -0.0004632400000000, -0.0002494400000000 ] - [ 0.0002864800000000, -0.0000728500000000, 0.0001758300000000 ] - [ 0.0002749200000000, 0.0000532600000000, 0.0001946400000000 ] - [ 0.0003453600000000, 0.0001273000000000, -0.0002732100000000 ] - [ 0.0003716100000000, -0.0001138400000000, -0.0003266600000000 ] - [ 0.0002815900000000, -0.0000012000000000, 0.0000601900000000 ] - [ 0.0003983900000000, -0.0000273700000000, 0.0002084500000000 ] - [ 0.0014202400000000, 0.0005157900000000, -0.0018840800000000 ] - [ 0.0001756100000000, 0.0000867700000000, -0.0000453200000000 ] - [ 0.0004801600000000, -0.0000254700000000, 0.0000697700000000 ] - [ 0.0017567200000000, 0.0016188600000000, 0.0008443600000000 ] - [ 0.0000812900000000, 0.0000356900000000, -0.0001227300000000 ] - [ -0.0009840500000000, -0.0004074300000000, -0.0000664000000000 ] - [ 0.0000880100000000, 0.0001546000000000, -0.0000338600000000 ] - [ 0.0003585900000000, -0.0013111100000000, -0.0007195500000000 ] - [ 0.0001981200000000, -0.0001768800000000, -0.0001375200000000 ] - [ 0.0003898400000000, -0.0004320100000000, 0.0012675600000000 ] - [ -0.0006063000000000, -0.0002076500000000, -0.0001196400000000 ] - [ -0.0007932100000000, 0.0000388300000000, 0.0008640800000000 ] - [ -0.0095535400000000, 0.0012869700000000, -0.0017356200000000 ] - [ -0.0003746300000000, -0.0000975500000000, 0.0000098400000000 ] - [ -0.0000147500000000, 0.0000802100000000, -0.0000302800000000 ] - [ 0.0001931100000000, 0.0001482600000000, 0.0000908200000000 ] - [ 0.0005972800000000, 0.0005519700000000, -0.0000940300000000 ] - [ 0.0005209500000000, 0.0001289400000000, -0.0003893100000000 ] - [ -0.0008205900000000, 0.0006666300000000, 0.0003043700000000 ] - [ -0.0000598800000000, -0.0001739500000000, 0.0002158600000000 ] - [ -0.0007102500000000, -0.0001712100000000, -0.0000980400000000 ] - [ -0.0004320300000000, 0.0001031100000000, -0.0003301900000000 ] - [ -0.0006181700000000, 0.0000532800000000, 0.0002446500000000 ] - [ -0.0005445900000000, 0.0002908200000000, -0.0001414500000000 ] - [ 0.0035311100000000, 0.0087790600000000, 0.0052951000000000 ] - [ -0.0000734900000000, 0.0000503200000000, -0.0002774100000000 ] - [ 0.0001965700000000, -0.0001327300000000, 0.0002355100000000 ] - [ 0.0087021300000000, -0.0004482900000000, -0.0080257900000000 ] - [ 0.1764913000000000, -0.0168319400000000, 0.0085410100000000 ] - [ 0.0007758900000000, -0.0002395600000000, -0.0000992900000000 ] - [ 0.0010842200000000, -0.0003320800000000, -0.0003110800000000 ] - [ 0.0012809900000000, -0.0004485600000000, 0.0003576900000000 ] - [ -0.0006300400000000, -0.0024262500000000, -0.0046425400000000 ] - [ 0.0003524300000000, 0.0002301300000000, 0.0002902800000000 ] - [ -0.0009804500000000, 0.0048788400000000, 0.0017056600000000 ] - [ -0.0000519600000000, 0.0002132100000000, -0.0001337100000000 ] - [ -0.0003860300000000, -0.0004046800000000, 0.0000764100000000 ] - [ -0.0005420700000000, -0.0000849600000000, 0.0001083000000000 ] - [ -0.0002760300000000, 0.0002350300000000, -0.0001368100000000 ] - [ -0.0005161100000000, -0.0000203400000000, 0.0002753300000000 ] - [ -0.0008842700000000, -0.0000099600000000, -0.0003639200000000 ] - [ -0.0008917500000000, 0.0000131600000000, 0.0001992400000000 ] - [ -0.0068589400000000, -0.0016399800000000, 0.0010681200000000 ] - [ -0.0006319700000000, 0.0000318800000000, 0.0000149000000000 ] - [ -0.0002147300000000, -0.0001063500000000, -0.0002023800000000 ] - [ -0.0202483900000000, 0.0010658700000000, 0.0085986200000000 ] - [ -0.0003740800000000, -0.0002365200000000, 0.0004202100000000 ] - [ -0.0163710300000000, -0.0078266300000000, -0.0074735800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000825300000000, 0.0000366700000000, -0.0000836700000000 ] - [ -0.0289524300000000, 0.0137584300000000, -0.0078401500000000 ] - [ -0.0001803000000000, 0.0002781400000000, 0.0000963100000000 ] - [ -0.0001577900000000, -0.0000889100000000, 0.0000698600000000 ] - [ 0.0000230800000000, -0.0003976600000000, 0.0003980900000000 ] - [ -0.0007434500000000, 0.0010929100000000, 0.0004906500000000 ] - [ -0.0001754800000000, 0.0112483600000000, -0.0185582700000000 ] - [ -0.0002508400000000, -0.0001468400000000, -0.0003352300000000 ] - [ 0.0000100600000000, -0.0003465300000000, -0.0000605600000000 ] - [ -0.0018447500000000, 0.0475280100000000, 0.0124855400000000 ] - [ 0.0001263500000000, -0.0004437400000000, 0.0000441300000000 ] - [ 0.0009151800000000, 0.0018415100000000, -0.0006650800000000 ] - [ 0.0156314200000000, 0.0319832800000000, 0.0146526100000000 ] - [ -0.0000596600000000, -0.0000273100000000, 0.0001518400000000 ] - [ 0.0000294600000000, -0.0002354800000000, 0.0000724600000000 ] - [ 0.0016605100000000, 0.0056324200000000, -0.0064503000000000 ] - [ -0.0004351900000000, -0.0000540200000000, -0.0002313100000000 ] - [ 0.0002285200000000, 0.0000443100000000, 0.0001585300000000 ] - [ 0.0009144600000000, -0.0006530500000000, -0.0002218900000000 ] - [ -0.0001932800000000, 0.0000462300000000, 0.0004037200000000 ] - [ 0.0000104100000000, 0.0002452500000000, 0.0002965500000000 ] - [ 0.0003253400000000, -0.0007826900000000, 0.0002304600000000 ] - [ -0.0002437300000000, -0.0002196300000000, 0.0000207600000000 ] - [ -0.0006839000000000, -0.0007520400000000, 0.0000203500000000 ] - [ -0.0000353100000000, -0.0003024900000000, 0.0000468200000000 ] - [ -0.0001527900000000, 0.0001825200000000, 0.0000132000000000 ] - [ -0.0001780500000000, 0.0001436000000000, -0.0003500900000000 ] - [ -0.0000402900000000, -0.0000820600000000, -0.0000457700000000 ] - [ 0.0001771400000000, 0.0000316700000000, -0.0000669100000000 ] - [ 0.0001087800000000, -0.0000417100000000, -0.0000397700000000 ] - [ 0.0002473500000000, 0.0000991000000000, 0.0006002300000000 ] - [ 0.0000781000000000, 0.0001006600000000, -0.0000639900000000 ] - [ -0.0000184500000000, 0.0001967400000000, -0.0000213500000000 ] - [ 0.0002806200000000, -0.0000810700000000, -0.0000707900000000 ] - [ 0.0000595500000000, -0.0000001200000000, 0.0000758600000000 ] - [ 0.0000033600000000, -0.0001986100000000, 0.0000545700000000 ] - [ 0.0000504300000000, 0.0000620100000000, -0.0002155600000000 ] - [ -0.0001065900000000, -0.0000644700000000, -0.0001037600000000 ] - [ -0.0000385600000000, -0.0000295000000000, -0.0000176100000000 ] - [ 0.0000068200000000, 0.0000131700000000, 0.0000906500000000 ] - [ -0.0000574500000000, -0.0008090500000000, -0.0004235600000000 ] - [ -0.0001092500000000, 0.0000038600000000, 0.0000062600000000 ] - [ 0.0002106500000000, -0.0000394700000000, 0.0000219900000000 ] - [ 0.0000160200000000, -0.0002131500000000, 0.0002066200000000 ] - [ -0.0001237000000000, 0.0002186100000000, -0.0000246100000000 ] - [ -0.0002663400000000, 0.0016077200000000, -0.0008135900000000 ] - [ 0.0000236800000000, 0.0001045800000000, -0.0000549300000000 ] - [ -0.0002937700000000, -0.0019147400000000, -0.0004422200000000 ] - [ 0.0000963800000000, -0.0001718000000000, -0.0000690600000000 ] - [ 0.0000687300000000, -0.0008161900000000, 0.0007838100000000 ] - [ 0.0004790000000000, -0.0005956700000000, 0.0000384300000000 ] - [ 0.0002490700000000, -0.0004030500000000, 0.0002248100000000 ] - [ -0.0022231300000000, 0.0043451200000000, 0.0010192000000000 ] - [ -0.0001115500000000, 0.0000990300000000, 0.0000473800000000 ] - [ -0.0001985100000000, -0.0001883500000000, -0.0000618500000000 ] - [ -0.0000650000000000, -0.0000142900000000, 0.0000315600000000 ] - [ -0.0002728800000000, 0.0005223200000000, 0.0001971300000000 ] - [ -0.0002523600000000, 0.0001473500000000, -0.0001974600000000 ] - [ -0.0002753100000000, 0.0005909400000000, 0.0005759800000000 ] - [ -0.0001008000000000, -0.0001536500000000, 0.0001650300000000 ] - [ -0.0001052400000000, -0.0002473200000000, -0.0000516500000000 ] - [ -0.0000549400000000, -0.0001198400000000, -0.0003305500000000 ] - [ -0.0000215200000000, 0.0001852800000000, -0.0001331600000000 ] - [ -0.0000505900000000, 0.0002261000000000, -0.0000838200000000 ] - [ -0.0208690200000000, 0.0199698900000000, -0.0038501100000000 ] - [ -0.0003448200000000, 0.0002247700000000, -0.0000527100000000 ] - [ -0.0002503100000000, 0.0007896700000000, -0.0000733900000000 ] - [ -0.0056024400000000, 0.0086430000000000, -0.0076180900000000 ] - [ 0.0173030600000000, -0.1456091700000000, 0.0067913100000000 ] - [ -0.0001308500000000, 0.0001041500000000, 0.0002372800000000 ] - [ -0.0003941400000000, 0.0018276100000000, 0.0002839800000000 ] - [ 0.0004058900000000, 0.0002037500000000, 0.0001264500000000 ] - [ 0.0005739700000000, -0.0017078400000000, -0.0016997400000000 ] - [ -0.0004057400000000, 0.0007095100000000, 0.0003666200000000 ] - [ -0.0018358700000000, 0.0008287700000000, -0.0004759600000000 ] - [ 0.0002212900000000, -0.0003364800000000, -0.0003436900000000 ] - [ -0.0000075100000000, 0.0000790300000000, 0.0005664000000000 ] - [ 0.0007054600000000, 0.0006705800000000, -0.0000522800000000 ] - [ 0.0001515300000000, 0.0001553300000000, -0.0001582400000000 ] - [ 0.0001569300000000, 0.0000119300000000, -0.0000195600000000 ] - [ 0.0000193200000000, -0.0003239700000000, -0.0003431500000000 ] - [ 0.0000363900000000, -0.0001785300000000, -0.0000854200000000 ] - [ 0.0015298700000000, 0.0095553100000000, 0.0002362400000000 ] - [ -0.0000805100000000, 0.0000101700000000, 0.0000262700000000 ] - [ 0.0004816100000000, 0.0000335500000000, 0.0000088300000000 ] - [ 0.0039875700000000, 0.0007367300000000, 0.0059036200000000 ] - [ 0.0004015400000000, -0.0002775700000000, -0.0004446200000000 ] - [ 0.0209069900000000, -0.0081015500000000, 0.0050070700000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000572500000000, -0.0000557000000000, -0.0000523600000000 ] - [ 0.0294718400000000, -0.0137171800000000, 0.0078276500000000 ] - [ -0.0000776700000000, -0.0001056000000000, -0.0000264400000000 ] - [ -0.0001004100000000, -0.0000832500000000, 0.0000007400000000 ] - [ 0.0000980100000000, 0.0000578200000000, -0.0004201900000000 ] - [ 0.0008517200000000, -0.0007447400000000, -0.0005238200000000 ] - [ -0.0000077300000000, -0.0115174100000000, 0.0184961300000000 ] - [ 0.0000705300000000, 0.0003111000000000, 0.0003422600000000 ] - [ 0.0001275900000000, -0.0002308700000000, -0.0000598200000000 ] - [ 0.0024771500000000, -0.0450808500000000, -0.0117526400000000 ] - [ -0.0000765300000000, 0.0001715900000000, 0.0002044800000000 ] - [ -0.0008660900000000, -0.0016126200000000, 0.0009500900000000 ] - [ -0.0164300500000000, -0.0338498200000000, -0.0151831200000000 ] - [ -0.0000506000000000, 0.0001987300000000, 0.0001505600000000 ] - [ 0.0000421400000000, -0.0001239300000000, 0.0000988700000000 ] - [ -0.0015472500000000, -0.0052299600000000, 0.0065499700000000 ] - [ 0.0004143900000000, -0.0003531300000000, 0.0003759800000000 ] - [ -0.0002517100000000, 0.0003599700000000, -0.0000198700000000 ] - [ -0.0007729200000000, 0.0006409600000000, 0.0007039300000000 ] - [ 0.0003249600000000, -0.0000410200000000, 0.0000816600000000 ] - [ -0.0001806400000000, -0.0002194400000000, -0.0001522000000000 ] - [ -0.0004889500000000, 0.0007483000000000, -0.0000805600000000 ] - [ -0.0001532100000000, -0.0001862600000000, 0.0000167500000000 ] - [ 0.0002900300000000, 0.0011603200000000, 0.0000155600000000 ] - [ 0.0000050200000000, 0.0001423600000000, -0.0003157400000000 ] - [ 0.0001213900000000, -0.0000219100000000, -0.0002805000000000 ] - [ 0.0000151400000000, -0.0003733300000000, 0.0004194600000000 ] - [ -0.0001246500000000, 0.0003102500000000, 0.0001091300000000 ] - [ -0.0000479400000000, 0.0000596800000000, -0.0002437300000000 ] - [ 0.0000199200000000, -0.0000474400000000, -0.0002731300000000 ] - [ -0.0003124100000000, -0.0002716500000000, -0.0005678400000000 ] - [ -0.0001400100000000, 0.0000683900000000, 0.0001013600000000 ] - [ 0.0000090200000000, 0.0000201800000000, -0.0001020300000000 ] - [ -0.0002892500000000, -0.0001310100000000, -0.0000495600000000 ] - [ 0.0000362200000000, 0.0002660300000000, 0.0000529500000000 ] - [ 0.0000911100000000, -0.0000690000000000, 0.0000741000000000 ] - [ -0.0001203500000000, -0.0000695100000000, -0.0000082200000000 ] - [ 0.0000374400000000, 0.0000716500000000, -0.0001204900000000 ] - [ -0.0000983400000000, -0.0000320500000000, -0.0000478800000000 ] - [ -0.0001443700000000, 0.0000487800000000, -0.0001580500000000 ] - [ -0.0000186200000000, 0.0007372700000000, 0.0003785100000000 ] - [ 0.0000322900000000, 0.0000720700000000, -0.0000393600000000 ] - [ 0.0002947100000000, -0.0000315800000000, -0.0000159800000000 ] - [ 0.0004840300000000, 0.0002847900000000, -0.0002024800000000 ] - [ 0.0001296300000000, -0.0001222900000000, -0.0001310300000000 ] - [ 0.0002797500000000, -0.0016918500000000, 0.0006530200000000 ] - [ 0.0000652100000000, 0.0003105900000000, -0.0000732500000000 ] - [ 0.0003991200000000, 0.0015300100000000, 0.0003272000000000 ] - [ 0.0001886200000000, -0.0000328600000000, -0.0000067500000000 ] - [ 0.0002171700000000, 0.0010221300000000, -0.0008567400000000 ] - [ -0.0001732600000000, 0.0005527900000000, 0.0001163300000000 ] - [ 0.0000648900000000, 0.0004223600000000, -0.0000560900000000 ] - [ 0.0018990300000000, -0.0043863100000000, -0.0008177300000000 ] - [ -0.0001640300000000, -0.0000295300000000, 0.0001755800000000 ] - [ 0.0000885800000000, 0.0000835700000000, 0.0000734400000000 ] - [ -0.0000471800000000, 0.0001178100000000, -0.0000208200000000 ] - [ 0.0004110400000000, -0.0005946800000000, -0.0002184500000000 ] - [ 0.0003902400000000, -0.0000816100000000, 0.0001805800000000 ] - [ 0.0001719100000000, -0.0002787900000000, -0.0003545700000000 ] - [ -0.0000043800000000, -0.0001517000000000, 0.0000686900000000 ] - [ 0.0002742000000000, -0.0000652700000000, -0.0001609000000000 ] - [ 0.0002236400000000, 0.0004302400000000, 0.0001186600000000 ] - [ -0.0000205800000000, -0.0003847600000000, -0.0000097100000000 ] - [ 0.0000101900000000, -0.0000225700000000, -0.0000615400000000 ] - [ 0.0208344700000000, -0.0203479900000000, 0.0034228000000000 ] - [ 0.0000096600000000, -0.0004371000000000, -0.0003293300000000 ] - [ 0.0000538600000000, -0.0006263600000000, 0.0000459200000000 ] - [ 0.0054737200000000, -0.0088566300000000, 0.0076509800000000 ] - [ -0.0178722000000000, 0.1462050100000000, -0.0070338100000000 ] - [ 0.0002028300000000, -0.0002479800000000, -0.0003579700000000 ] - [ 0.0004305400000000, -0.0017827000000000, -0.0003523900000000 ] - [ -0.0003772200000000, -0.0002413500000000, -0.0002005400000000 ] - [ -0.0003812800000000, 0.0016920200000000, 0.0017319500000000 ] - [ 0.0006005400000000, -0.0006712100000000, -0.0003333200000000 ] - [ 0.0021324900000000, -0.0007765700000000, 0.0002708600000000 ] - [ 0.0001004200000000, 0.0002715800000000, 0.0001507800000000 ] - [ -0.0001860900000000, -0.0003352600000000, -0.0004665100000000 ] - [ -0.0009031000000000, -0.0004133100000000, 0.0001559400000000 ] - [ -0.0001356000000000, 0.0000068200000000, 0.0002211900000000 ] - [ -0.0001372400000000, -0.0001762900000000, 0.0000821400000000 ] - [ 0.0001392800000000, 0.0002251600000000, 0.0002430200000000 ] - [ 0.0001240700000000, 0.0002735900000000, -0.0000186900000000 ] - [ -0.0017134500000000, -0.0095171300000000, -0.0001831200000000 ] - [ -0.0001259700000000, -0.0000758000000000, 0.0000244100000000 ] - [ -0.0005402900000000, -0.0002237400000000, 0.0000715000000000 ] - [ -0.0040782100000000, -0.0005426700000000, -0.0057764200000000 ] - [ -0.0003712600000000, 0.0002419300000000, 0.0005846000000000 ] - [ -0.0207559600000000, 0.0081976900000000, -0.0048040400000000 ]- atom: 69 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000943200000000, -0.0000552900000000, -0.0000069800000000 ] - [ 0.0176525200000000, -0.0077072500000000, 0.0051522500000000 ] - [ -0.0000910300000000, 0.0001374600000000, -0.0000394200000000 ] - [ -0.0001181400000000, -0.0000335400000000, 0.0002247200000000 ] - [ 0.0001116600000000, 0.0003607400000000, -0.0005593300000000 ] - [ -0.0004278300000000, 0.0009704700000000, 0.0015735300000000 ] - [ -0.0042778100000000, -0.0181964800000000, 0.0452571100000000 ] - [ -0.0001703300000000, -0.0000117400000000, -0.0002663900000000 ] - [ 0.0002066400000000, 0.0001902500000000, -0.0002354700000000 ] - [ 0.0020105100000000, 0.0133079200000000, 0.0081096900000000 ] - [ 0.0000277200000000, 0.0000630800000000, 0.0001302600000000 ] - [ -0.0004109300000000, -0.0007152800000000, 0.0006535700000000 ] - [ 0.0117857400000000, 0.0143156100000000, 0.0122875100000000 ] - [ -0.0001185700000000, 0.0001445200000000, 0.0000823700000000 ] - [ 0.0001170000000000, -0.0001236400000000, -0.0000049300000000 ] - [ -0.0221329200000000, -0.0068793300000000, 0.0361317900000000 ] - [ -0.0008541400000000, -0.0002614100000000, -0.0007492400000000 ] - [ 0.0001618600000000, 0.0001527800000000, 0.0001858600000000 ] - [ 0.0002127700000000, 0.0001357700000000, 0.0003031900000000 ] - [ 0.0007498500000000, 0.0002326400000000, -0.0003594800000000 ] - [ -0.0002470500000000, -0.0001658100000000, -0.0002570200000000 ] - [ 0.0002130600000000, -0.0004879000000000, 0.0005167400000000 ] - [ -0.0002610200000000, -0.0001521000000000, -0.0001308600000000 ] - [ -0.0002958000000000, 0.0001482300000000, 0.0000651600000000 ] - [ -0.0000115700000000, -0.0001045100000000, -0.0000463600000000 ] - [ 0.0004610200000000, -0.0003344400000000, -0.0010971700000000 ] - [ -0.0002769000000000, -0.0002019800000000, -0.0002834400000000 ] - [ -0.0000515000000000, 0.0000398800000000, -0.0000148800000000 ] - [ 0.0000439000000000, 0.0002254400000000, 0.0000028400000000 ] - [ 0.0000986700000000, 0.0000515300000000, -0.0005134000000000 ] - [ -0.0002230300000000, -0.0001280900000000, -0.0001883100000000 ] - [ -0.0000138500000000, 0.0000350500000000, 0.0000666800000000 ] - [ 0.0000745600000000, 0.0000484000000000, -0.0001803300000000 ] - [ -0.0002315600000000, 0.0002508700000000, 0.0001405000000000 ] - [ -0.0000403200000000, 0.0002426800000000, 0.0000568200000000 ] - [ 0.0000760400000000, -0.0001195700000000, -0.0000593100000000 ] - [ -0.0001462300000000, -0.0000751600000000, -0.0000559800000000 ] - [ -0.0001225200000000, 0.0000472700000000, -0.0000546100000000 ] - [ -0.0001400900000000, -0.0000194900000000, -0.0000273600000000 ] - [ 0.0000227600000000, 0.0000256100000000, -0.0001412400000000 ] - [ -0.0001529100000000, 0.0001691200000000, -0.0009406600000000 ] - [ -0.0000665500000000, 0.0000147000000000, -0.0000601100000000 ] - [ 0.0003098900000000, -0.0000203400000000, -0.0000237200000000 ] - [ -0.0002366700000000, -0.0007100700000000, -0.0009820700000000 ] - [ 0.0000744200000000, -0.0000318000000000, -0.0001501600000000 ] - [ 0.0002530200000000, -0.0007520900000000, 0.0003976900000000 ] - [ 0.0000405300000000, 0.0002380000000000, -0.0000764300000000 ] - [ 0.0000488000000000, 0.0001944300000000, -0.0006908400000000 ] - [ 0.0002114800000000, -0.0000241100000000, -0.0000153200000000 ] - [ 0.0002530700000000, 0.0004883300000000, -0.0016785000000000 ] - [ 0.0006502700000000, -0.0000608400000000, -0.0001401000000000 ] - [ -0.0003572700000000, 0.0004098700000000, -0.0002987900000000 ] - [ 0.0015705600000000, 0.0011784000000000, 0.0041445800000000 ] - [ -0.0001495400000000, 0.0000172400000000, 0.0000555500000000 ] - [ 0.0001606400000000, -0.0001293600000000, -0.0001027300000000 ] - [ -0.0000829300000000, 0.0000484600000000, 0.0000112500000000 ] - [ -0.0001329800000000, -0.0001929500000000, -0.0003878200000000 ] - [ 0.0009204200000000, -0.0005102300000000, -0.0001741300000000 ] - [ 0.0003725800000000, 0.0002707500000000, 0.0012958400000000 ] - [ -0.0000500000000000, -0.0001740400000000, 0.0000844900000000 ] - [ 0.0002635500000000, -0.0001333100000000, -0.0002051200000000 ] - [ 0.0000452100000000, 0.0001929700000000, -0.0000421700000000 ] - [ 0.0000906100000000, -0.0003657500000000, -0.0003486400000000 ] - [ -0.0000643300000000, 0.0001368500000000, -0.0000459100000000 ] - [ -0.0092428200000000, 0.0013364400000000, 0.0009944600000000 ] - [ -0.0000649000000000, -0.0002636100000000, -0.0001716100000000 ] - [ 0.0000181000000000, -0.0005167700000000, 0.0001897200000000 ] - [ 0.0211018200000000, -0.0115120800000000, 0.0160843800000000 ] - [ -0.0090013200000000, 0.0070120100000000, -0.1436894000000000 ] - [ 0.0000740000000000, -0.0003671300000000, 0.0004142900000000 ] - [ -0.0002859800000000, 0.0003143500000000, -0.0000685200000000 ] - [ 0.0003584300000000, -0.0002398800000000, 0.0019136700000000 ] - [ 0.0020124700000000, -0.0001000000000000, 0.0012889800000000 ] - [ -0.0002505700000000, 0.0007497100000000, 0.0003260400000000 ] - [ -0.0000153700000000, -0.0022613900000000, -0.0016757000000000 ] - [ -0.0004978400000000, 0.0002925500000000, 0.0006808800000000 ] - [ 0.0000793100000000, -0.0000983000000000, 0.0001487500000000 ] - [ 0.0000100100000000, 0.0002243600000000, 0.0001145200000000 ] - [ 0.0001903100000000, -0.0000490300000000, -0.0000021000000000 ] - [ -0.0008710800000000, 0.0000380600000000, 0.0005177700000000 ] - [ -0.0001575800000000, 0.0002110100000000, -0.0000830700000000 ] - [ 0.0002479800000000, -0.0000175200000000, -0.0001741000000000 ] - [ -0.0014881900000000, 0.0005979500000000, 0.0097780000000000 ] - [ -0.0000863800000000, -0.0000195700000000, -0.0000499100000000 ] - [ 0.0001032200000000, 0.0001033300000000, 0.0002528400000000 ] - [ -0.0204779900000000, 0.0093002800000000, -0.0018727800000000 ] - [ -0.0008062200000000, -0.0002137200000000, 0.0007966600000000 ] - [ 0.0116212800000000, -0.0001284700000000, 0.0089909600000000 ]- atom: 69 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000441000000000, 0.0000351400000000, -0.0001290200000000 ] - [ -0.0174027000000000, 0.0076786600000000, -0.0053744800000000 ] - [ -0.0001660900000000, 0.0000337700000000, 0.0001102000000000 ] - [ -0.0001391900000000, -0.0001373100000000, -0.0001532500000000 ] - [ 0.0000091000000000, -0.0007090700000000, 0.0005417100000000 ] - [ 0.0005767900000000, -0.0006122000000000, -0.0015540600000000 ] - [ 0.0048761400000000, 0.0188338600000000, -0.0471846600000000 ] - [ -0.0000085300000000, 0.0001777600000000, 0.0002774800000000 ] - [ -0.0000720900000000, -0.0007724400000000, 0.0001173000000000 ] - [ -0.0018310600000000, -0.0126002600000000, -0.0082495400000000 ] - [ 0.0000209300000000, -0.0003345200000000, 0.0001201700000000 ] - [ 0.0004455700000000, 0.0009779100000000, -0.0004176200000000 ] - [ -0.0119948000000000, -0.0146844700000000, -0.0119447900000000 ] - [ 0.0000094400000000, 0.0000273500000000, 0.0002184700000000 ] - [ -0.0000459000000000, -0.0002362600000000, 0.0001801700000000 ] - [ 0.0212833800000000, 0.0066968600000000, -0.0341798600000000 ] - [ 0.0008397600000000, -0.0001446100000000, 0.0008908600000000 ] - [ -0.0001846600000000, 0.0002529600000000, -0.0000446000000000 ] - [ -0.0000773500000000, -0.0001440700000000, 0.0001794700000000 ] - [ -0.0006137300000000, -0.0002248900000000, 0.0008391800000000 ] - [ 0.0000813200000000, 0.0001935400000000, 0.0004050200000000 ] - [ -0.0003781400000000, 0.0004544900000000, -0.0003698300000000 ] - [ -0.0001322800000000, -0.0002533300000000, 0.0001684100000000 ] - [ -0.0000975900000000, 0.0002595500000000, -0.0000274100000000 ] - [ -0.0000174000000000, -0.0000534400000000, -0.0002238400000000 ] - [ -0.0004894500000000, 0.0004935800000000, 0.0008263500000000 ] - [ 0.0001133900000000, -0.0000306100000000, 0.0003496400000000 ] - [ -0.0001132400000000, 0.0001919900000000, 0.0000799700000000 ] - [ 0.0000822700000000, -0.0001387100000000, -0.0003139500000000 ] - [ 0.0000292400000000, -0.0001365000000000, 0.0001991900000000 ] - [ 0.0001542700000000, -0.0000416100000000, 0.0002167300000000 ] - [ -0.0000504400000000, 0.0001306400000000, -0.0000292500000000 ] - [ -0.0000870600000000, 0.0001688600000000, 0.0000538400000000 ] - [ 0.0002189300000000, -0.0004670100000000, -0.0002654400000000 ] - [ 0.0001327000000000, 0.0000237200000000, 0.0000698400000000 ] - [ 0.0000162500000000, -0.0001472600000000, 0.0001853600000000 ] - [ 0.0000771200000000, 0.0000671200000000, -0.0001665900000000 ] - [ 0.0000533600000000, -0.0000384400000000, -0.0001671300000000 ] - [ 0.0000036800000000, -0.0000443900000000, -0.0000432500000000 ] - [ -0.0001584700000000, 0.0000383500000000, 0.0000688100000000 ] - [ 0.0000728300000000, -0.0002443800000000, 0.0009102100000000 ] - [ -0.0000116100000000, 0.0000634900000000, 0.0000238900000000 ] - [ 0.0001930000000000, -0.0000509300000000, 0.0000307200000000 ] - [ 0.0007408100000000, 0.0007790600000000, 0.0009841400000000 ] - [ -0.0000663800000000, 0.0001313500000000, -0.0000061700000000 ] - [ -0.0002604900000000, 0.0006593100000000, -0.0005588800000000 ] - [ 0.0000537500000000, 0.0001789300000000, -0.0000542000000000 ] - [ 0.0000408000000000, -0.0006215400000000, 0.0005589300000000 ] - [ 0.0000754200000000, -0.0001780500000000, -0.0000603900000000 ] - [ 0.0000443200000000, -0.0002810900000000, 0.0015772500000000 ] - [ -0.0003337000000000, 0.0000375000000000, 0.0002970000000000 ] - [ 0.0006656300000000, -0.0003944300000000, 0.0004690200000000 ] - [ -0.0019083700000000, -0.0012267100000000, -0.0039720100000000 ] - [ -0.0001241300000000, 0.0000495300000000, 0.0001661900000000 ] - [ -0.0002714300000000, 0.0000229000000000, 0.0001156300000000 ] - [ -0.0000316500000000, 0.0000573600000000, 0.0000011900000000 ] - [ 0.0002779700000000, 0.0001298500000000, 0.0003731800000000 ] - [ -0.0007771200000000, 0.0005758400000000, 0.0001578100000000 ] - [ -0.0004628200000000, 0.0000210700000000, -0.0010756500000000 ] - [ -0.0000529900000000, -0.0001293700000000, 0.0001510000000000 ] - [ -0.0000962000000000, -0.0001804900000000, -0.0000086500000000 ] - [ 0.0001201600000000, 0.0001193900000000, -0.0001723200000000 ] - [ -0.0001297100000000, 0.0001655700000000, 0.0002035100000000 ] - [ 0.0000253200000000, 0.0000664800000000, -0.0000990900000000 ] - [ 0.0089004400000000, -0.0010743800000000, -0.0013719700000000 ] - [ -0.0002793300000000, 0.0000551700000000, -0.0002093700000000 ] - [ -0.0002140700000000, 0.0006828000000000, -0.0002235100000000 ] - [ -0.0211129600000000, 0.0111220500000000, -0.0156882200000000 ] - [ 0.0088021000000000, -0.0068467900000000, 0.1434673600000000 ] - [ -0.0000018900000000, 0.0002256600000000, -0.0005402200000000 ] - [ 0.0003191800000000, -0.0002787600000000, 0.0000020800000000 ] - [ -0.0003269000000000, 0.0001969700000000, -0.0019916600000000 ] - [ -0.0018366100000000, 0.0000814200000000, -0.0012465500000000 ] - [ 0.0004498500000000, -0.0007161800000000, -0.0002930500000000 ] - [ 0.0003338800000000, 0.0023222900000000, 0.0014707300000000 ] - [ 0.0008175500000000, -0.0003540200000000, -0.0008739300000000 ] - [ -0.0002718600000000, -0.0001591700000000, -0.0000447700000000 ] - [ -0.0002063500000000, 0.0000314800000000, -0.0000113400000000 ] - [ -0.0001790300000000, 0.0002113500000000, 0.0000640900000000 ] - [ 0.0008835300000000, -0.0002025900000000, -0.0004555600000000 ] - [ 0.0003152200000000, -0.0003066900000000, -0.0000130200000000 ] - [ -0.0000895500000000, 0.0001130600000000, 0.0000751500000000 ] - [ 0.0012946000000000, -0.0005376300000000, -0.0097142700000000 ] - [ -0.0001177600000000, -0.0000472100000000, 0.0001045200000000 ] - [ -0.0001649400000000, -0.0003018900000000, -0.0001762700000000 ] - [ 0.0205590400000000, -0.0091202500000000, 0.0018492600000000 ] - [ 0.0008404200000000, 0.0001779300000000, -0.0006614400000000 ] - [ -0.0115055100000000, 0.0001900000000000, -0.0087899500000000 ]- atom: 71 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0001665600000000, 0.0000122400000000, -0.0001318500000000 ] - [ 0.0001540600000000, 0.0000773900000000, -0.0000769000000000 ] - [ 0.0642552900000000, 0.0277203800000000, -0.0185999500000000 ] - [ -0.0001405400000000, -0.0001045500000000, 0.0000209500000000 ] - [ -0.0001092600000000, 0.0000432100000000, 0.0003776900000000 ] - [ 0.0000337800000000, 0.0000785900000000, -0.0001560500000000 ] - [ 0.0000077000000000, -0.0001393300000000, 0.0000239300000000 ] - [ -0.0001356500000000, 0.0000275100000000, -0.0001257500000000 ] - [ 0.0001927900000000, -0.0001659100000000, -0.0000348700000000 ] - [ 0.0000126800000000, 0.0005013000000000, -0.0000461300000000 ] - [ -0.0001771900000000, -0.0001342000000000, 0.0008232000000000 ] - [ 0.0000134900000000, -0.0002127800000000, -0.0001308900000000 ] - [ 0.0003534000000000, -0.0005777900000000, 0.0002163000000000 ] - [ -0.0001066700000000, 0.0001227100000000, 0.0000109200000000 ] - [ 0.0005017800000000, 0.0000127000000000, 0.0002479300000000 ] - [ 0.0004401000000000, 0.0000883900000000, -0.0000432100000000 ] - [ 0.0002627600000000, -0.0002325900000000, 0.0001215900000000 ] - [ 0.0266803000000000, -0.0011924600000000, 0.0200697300000000 ] - [ 0.0208056000000000, -0.0145965900000000, -0.0114871700000000 ] - [ 0.0002444500000000, -0.0000187400000000, 0.0001914700000000 ] - [ -0.0000511800000000, 0.0000112500000000, 0.0001164900000000 ] - [ 0.0019699000000000, -0.0002337300000000, 0.0000922700000000 ] - [ -0.0001509300000000, 0.0000415600000000, -0.0000997500000000 ] - [ 0.0093165700000000, 0.0007461900000000, -0.0024089200000000 ] - [ 0.0102225500000000, -0.0002454400000000, 0.0055972700000000 ] - [ 0.0000065200000000, 0.0001580100000000, -0.0000248500000000 ] - [ -0.0000678600000000, 0.0001436300000000, -0.0002451500000000 ] - [ 0.0013446300000000, 0.0004925200000000, -0.0001094800000000 ] - [ 0.0011850600000000, 0.0005358000000000, -0.0002271600000000 ] - [ 0.0000782700000000, -0.0001430200000000, -0.0000156700000000 ] - [ -0.0000740400000000, -0.0001316400000000, -0.0000654100000000 ] - [ -0.0002332400000000, -0.0004818600000000, 0.0013521900000000 ] - [ -0.0000476000000000, 0.0000621100000000, -0.0000107100000000 ] - [ -0.0002409000000000, -0.0012144100000000, -0.0007362600000000 ] - [ 0.0010864900000000, -0.0002139800000000, 0.0000433500000000 ] - [ -0.0000024700000000, -0.0000981200000000, 0.0000389600000000 ] - [ -0.0002542600000000, 0.0000192800000000, -0.0000494100000000 ] - [ -0.0014895400000000, 0.0017026400000000, 0.0007094500000000 ] - [ -0.0014250100000000, 0.0005643900000000, -0.0019606500000000 ] - [ -0.0002623900000000, 0.0000769600000000, -0.0000595300000000 ] - [ -0.0003902000000000, -0.0000048800000000, 0.0000550700000000 ] - [ -0.0005252900000000, -0.0000051200000000, 0.0001986100000000 ] - [ -0.0001529700000000, 0.0000753200000000, -0.0001713000000000 ] - [ -0.0001939100000000, -0.0000827000000000, -0.0002266200000000 ] - [ -0.0002203900000000, 0.0002306900000000, 0.0000492300000000 ] - [ -0.0002493100000000, -0.0002722200000000, 0.0000344900000000 ] - [ -0.0001417200000000, 0.0001135900000000, -0.0000394100000000 ] - [ -0.0004248300000000, -0.0005768000000000, -0.0002294800000000 ] - [ -0.0006298000000000, 0.0000544700000000, 0.0008018700000000 ] - [ -0.0000309300000000, 0.0001345600000000, -0.0001425200000000 ] - [ 0.0099587000000000, 0.0015251600000000, -0.0019399800000000 ] - [ 0.0003858400000000, -0.0001215300000000, -0.0000121000000000 ] - [ 0.0006629300000000, -0.0001646900000000, -0.0001308800000000 ] - [ 0.0008510600000000, 0.0000295500000000, 0.0009369100000000 ] - [ -0.0005898800000000, 0.0005904100000000, -0.0000295600000000 ] - [ -0.0005315500000000, 0.0002609300000000, -0.0004642600000000 ] - [ 0.0000171400000000, 0.0000647000000000, -0.0000377300000000 ] - [ -0.0001748100000000, 0.0000945000000000, 0.0000668500000000 ] - [ -0.0002425800000000, -0.0001343700000000, 0.0001141800000000 ] - [ -0.0000363700000000, -0.0001317000000000, 0.0001921500000000 ] - [ 0.0007000400000000, 0.0000490000000000, 0.0002538000000000 ] - [ 0.0006049000000000, 0.0003978800000000, -0.0002117300000000 ] - [ 0.0007804800000000, -0.0001782300000000, -0.0000305700000000 ] - [ 0.0005225000000000, 0.0000428900000000, -0.0003080800000000 ] - [ 0.0008149100000000, 0.0047289200000000, 0.0016079900000000 ] - [ -0.0000400800000000, 0.0001177500000000, -0.0001779200000000 ] - [ 0.0006806400000000, -0.0022940000000000, -0.0045109000000000 ] - [ -0.0003592400000000, 0.0000615500000000, 0.0002555900000000 ] - [ -0.0010338000000000, -0.0003409900000000, -0.0003630800000000 ] - [ -0.0012319600000000, -0.0004658700000000, 0.0002846000000000 ] - [ -0.1770484000000000, -0.0159864600000000, 0.0098494000000000 ] - [ -0.0006733600000000, -0.0001546900000000, -0.0000760300000000 ] - [ -0.0001500000000000, -0.0002204100000000, 0.0002800900000000 ] - [ -0.0092495300000000, -0.0001723600000000, -0.0080515400000000 ] - [ -0.0036797700000000, 0.0090406400000000, 0.0057075200000000 ] - [ 0.0001000000000000, 0.0001716900000000, -0.0002476600000000 ] - [ 0.0002224300000000, -0.0004231300000000, 0.0003766700000000 ] - [ 0.0161203700000000, -0.0082890400000000, -0.0074967700000000 ] - [ 0.0203816800000000, 0.0010809100000000, 0.0093352600000000 ] - [ 0.0001415700000000, -0.0001183600000000, -0.0002372700000000 ] - [ 0.0005909500000000, -0.0000005700000000, -0.0000827300000000 ] - [ 0.0068018500000000, -0.0016189200000000, 0.0011631600000000 ] - [ 0.0008739700000000, 0.0000238600000000, 0.0002626100000000 ] - [ 0.0008767500000000, 0.0000017200000000, -0.0002426400000000 ] - [ 0.0004472500000000, -0.0000941100000000, 0.0002610400000000 ] - [ 0.0002629800000000, 0.0002533100000000, -0.0000382000000000 ] - [ 0.0003010200000000, -0.0002447100000000, 0.0000936800000000 ] - [ 0.0005346800000000, -0.0001497500000000, 0.0001102200000000 ]- atom: 71 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ -0.0000247900000000, -0.0000295900000000, -0.0000031400000000 ] - [ -0.0000123700000000, -0.0000601300000000, -0.0000613400000000 ] - [ -0.0667123600000000, -0.0286437200000000, 0.0194717200000000 ] - [ -0.0001184800000000, -0.0000692700000000, 0.0000477900000000 ] - [ 0.0002278000000000, -0.0003754000000000, -0.0004012700000000 ] - [ 0.0000869700000000, 0.0002544700000000, 0.0001266200000000 ] - [ -0.0001859800000000, -0.0000295900000000, -0.0000102200000000 ] - [ -0.0000460900000000, 0.0001413100000000, 0.0001376500000000 ] - [ -0.0000524900000000, -0.0004082200000000, -0.0000861800000000 ] - [ 0.0001253900000000, 0.0000750200000000, -0.0000762300000000 ] - [ 0.0002253300000000, -0.0001363900000000, -0.0005668000000000 ] - [ 0.0000360400000000, 0.0004787800000000, 0.0003765100000000 ] - [ -0.0004642400000000, 0.0004004000000000, 0.0000867100000000 ] - [ -0.0000044200000000, 0.0000489000000000, 0.0002919900000000 ] - [ -0.0004277500000000, -0.0003693900000000, -0.0000766400000000 ] - [ -0.0003659500000000, 0.0002701100000000, 0.0002113900000000 ] - [ -0.0002893800000000, -0.0001728700000000, 0.0000133200000000 ] - [ -0.0266560400000000, 0.0015228200000000, -0.0195753900000000 ] - [ -0.0207271200000000, 0.0144837200000000, 0.0118882000000000 ] - [ -0.0001122900000000, 0.0000230600000000, 0.0002959400000000 ] - [ -0.0001199300000000, 0.0000141300000000, 0.0000284600000000 ] - [ -0.0021400700000000, 0.0002214400000000, 0.0000501000000000 ] - [ -0.0002472400000000, -0.0004442900000000, 0.0001357300000000 ] - [ -0.0097306300000000, -0.0003774400000000, 0.0024273000000000 ] - [ -0.0102906000000000, 0.0001302100000000, -0.0059992500000000 ] - [ -0.0000366000000000, 0.0000032700000000, -0.0002424200000000 ] - [ -0.0000971900000000, -0.0003672800000000, 0.0003046400000000 ] - [ -0.0014975800000000, -0.0002814600000000, 0.0001700800000000 ] - [ -0.0010454200000000, -0.0004537000000000, -0.0000777000000000 ] - [ 0.0000543800000000, 0.0000501300000000, -0.0002945800000000 ] - [ 0.0000143100000000, -0.0000414200000000, 0.0001019000000000 ] - [ 0.0001861300000000, 0.0006496900000000, -0.0012983400000000 ] - [ 0.0000434100000000, 0.0001519200000000, -0.0001093900000000 ] - [ 0.0002479100000000, 0.0009827000000000, 0.0006052100000000 ] - [ -0.0010239700000000, 0.0004959300000000, 0.0000839400000000 ] - [ 0.0001006800000000, -0.0001668500000000, 0.0000904200000000 ] - [ 0.0001845900000000, -0.0000248700000000, -0.0001774200000000 ] - [ 0.0014185600000000, -0.0016976800000000, -0.0009296700000000 ] - [ 0.0012913000000000, -0.0006334400000000, 0.0019104300000000 ] - [ 0.0001261400000000, -0.0000171100000000, -0.0000025500000000 ] - [ 0.0003117300000000, -0.0000689300000000, -0.0000852100000000 ] - [ 0.0004455900000000, 0.0000797100000000, -0.0002285300000000 ] - [ 0.0006557400000000, -0.0001452900000000, 0.0001740600000000 ] - [ 0.0006962900000000, 0.0001520400000000, 0.0002283700000000 ] - [ 0.0002209600000000, -0.0001318700000000, -0.0002008500000000 ] - [ 0.0002498000000000, 0.0001721600000000, -0.0001876500000000 ] - [ 0.0002231600000000, 0.0002990900000000, -0.0000872600000000 ] - [ 0.0005066100000000, 0.0001648500000000, 0.0001047000000000 ] - [ 0.0009114600000000, -0.0002638300000000, -0.0008819500000000 ] - [ 0.0003119000000000, 0.0000731100000000, 0.0000657300000000 ] - [ -0.0091188900000000, -0.0013785800000000, 0.0018874800000000 ] - [ -0.0000675000000000, 0.0001454400000000, 0.0001738300000000 ] - [ -0.0009379800000000, 0.0000963500000000, 0.0003621400000000 ] - [ -0.0011281100000000, 0.0000445100000000, -0.0007177200000000 ] - [ 0.0004732300000000, -0.0006767900000000, 0.0000441400000000 ] - [ 0.0004144500000000, -0.0001480800000000, 0.0004573600000000 ] - [ 0.0001109400000000, -0.0001333300000000, 0.0000256800000000 ] - [ 0.0003106300000000, -0.0000302300000000, -0.0000857100000000 ] - [ 0.0001352400000000, 0.0004395800000000, 0.0001185900000000 ] - [ -0.0000708700000000, -0.0001750900000000, 0.0000397600000000 ] - [ -0.0005290900000000, -0.0003551400000000, -0.0004619000000000 ] - [ -0.0004333300000000, -0.0000849200000000, -0.0000030100000000 ] - [ -0.0008166700000000, -0.0000241600000000, -0.0001144400000000 ] - [ -0.0005592900000000, 0.0001567500000000, 0.0001583200000000 ] - [ -0.0011236300000000, -0.0044820500000000, -0.0019809800000000 ] - [ -0.0002894700000000, -0.0003334700000000, -0.0002021900000000 ] - [ -0.0008457400000000, 0.0024376200000000, 0.0044516400000000 ] - [ 0.0001735000000000, -0.0002151000000000, -0.0002839900000000 ] - [ 0.0011036500000000, 0.0004819800000000, 0.0002382000000000 ] - [ 0.0013012400000000, 0.0003186800000000, -0.0004064300000000 ] - [ 0.1802563900000000, 0.0173567500000000, -0.0107632800000000 ] - [ 0.0006960200000000, 0.0001189900000000, 0.0000060600000000 ] - [ 0.0003414200000000, 0.0001869400000000, -0.0002518700000000 ] - [ 0.0093081400000000, 0.0001460800000000, 0.0081174700000000 ] - [ 0.0038690200000000, -0.0090440000000000, -0.0058612900000000 ] - [ 0.0002137400000000, -0.0002356100000000, 0.0000545600000000 ] - [ -0.0004182800000000, 0.0001628500000000, -0.0002697200000000 ] - [ -0.0167494000000000, 0.0085858200000000, 0.0077832600000000 ] - [ -0.0209814100000000, -0.0010283200000000, -0.0094292700000000 ] - [ -0.0001299400000000, -0.0000414400000000, 0.0002992800000000 ] - [ -0.0004312800000000, -0.0000995900000000, -0.0000224600000000 ] - [ -0.0068162900000000, 0.0016655300000000, -0.0012357500000000 ] - [ -0.0010711800000000, 0.0000374000000000, -0.0002099200000000 ] - [ -0.0010718700000000, -0.0000623200000000, 0.0002984800000000 ] - [ -0.0005027800000000, -0.0001011000000000, -0.0001866200000000 ] - [ -0.0003215200000000, -0.0000589500000000, 0.0001167400000000 ] - [ -0.0002687600000000, 0.0002079100000000, 0.0000486000000000 ] - [ -0.0004975300000000, 0.0001901300000000, 0.0000359700000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000911900000000, 0.0000041100000000, -0.0000332800000000 ] - [ 0.0001074000000000, 0.0002029800000000, -0.0000129300000000 ] - [ 0.0278478300000000, 0.0124864000000000, -0.0077975300000000 ] - [ -0.0001349700000000, -0.0000365700000000, 0.0000320500000000 ] - [ 0.0001355800000000, 0.0000767700000000, -0.0003681600000000 ] - [ 0.0000170100000000, -0.0000387800000000, -0.0000973700000000 ] - [ -0.0000289400000000, -0.0003120600000000, 0.0001984900000000 ] - [ 0.0000482100000000, 0.0001893600000000, 0.0001219700000000 ] - [ 0.0001298100000000, -0.0002913400000000, -0.0000567100000000 ] - [ 0.0006159600000000, -0.0007186000000000, -0.0000597400000000 ] - [ -0.0000806000000000, 0.0000906200000000, 0.0003640000000000 ] - [ -0.0004346000000000, -0.0006462300000000, 0.0003006900000000 ] - [ -0.0008787000000000, -0.0007715800000000, -0.0002569800000000 ] - [ 0.0002053600000000, 0.0001375000000000, 0.0003006300000000 ] - [ 0.0005067900000000, -0.0000180000000000, -0.0002343000000000 ] - [ -0.0001561100000000, 0.0000134100000000, 0.0001744200000000 ] - [ -0.0000094200000000, -0.0002609700000000, 0.0000523000000000 ] - [ -0.0021077400000000, 0.0059963700000000, -0.0071734100000000 ] - [ -0.0156612900000000, 0.0330782400000000, 0.0156343600000000 ] - [ 0.0000695700000000, -0.0001127300000000, 0.0002426500000000 ] - [ -0.0001998000000000, -0.0002813600000000, 0.0000048600000000 ] - [ -0.0009319600000000, 0.0013703300000000, -0.0006071100000000 ] - [ -0.0001459400000000, -0.0002586200000000, 0.0000216100000000 ] - [ 0.0019732500000000, 0.0483803500000000, 0.0121372800000000 ] - [ 0.0004516300000000, 0.0102921500000000, -0.0169244000000000 ] - [ 0.0001423900000000, -0.0001184300000000, -0.0004590600000000 ] - [ -0.0000465000000000, -0.0003391000000000, 0.0004106800000000 ] - [ 0.0007422100000000, 0.0010450500000000, 0.0005862900000000 ] - [ 0.0002628400000000, 0.0005360600000000, 0.0004586400000000 ] - [ 0.0000938800000000, -0.0001123700000000, -0.0001354500000000 ] - [ -0.0000050100000000, -0.0001692300000000, -0.0000223000000000 ] - [ 0.0000686000000000, -0.0007872900000000, 0.0008053000000000 ] - [ 0.0000047000000000, 0.0000243400000000, -0.0000393500000000 ] - [ 0.0002816900000000, -0.0018605700000000, -0.0004858200000000 ] - [ 0.0002488500000000, 0.0018136600000000, -0.0007218700000000 ] - [ 0.0001680200000000, 0.0000343500000000, 0.0001195200000000 ] - [ -0.0000099000000000, -0.0000183800000000, -0.0000853700000000 ] - [ 0.0001730300000000, -0.0002727100000000, 0.0001186100000000 ] - [ -0.0000808700000000, -0.0007729700000000, -0.0004886000000000 ] - [ -0.0000014500000000, -0.0000022200000000, -0.0000111100000000 ] - [ -0.0000589300000000, -0.0000450200000000, -0.0000088100000000 ] - [ -0.0001196300000000, 0.0000182400000000, 0.0001161300000000 ] - [ 0.0002136900000000, 0.0000217400000000, -0.0000716000000000 ] - [ 0.0003204100000000, -0.0000414600000000, 0.0000066100000000 ] - [ 0.0000421200000000, -0.0000060900000000, -0.0000805000000000 ] - [ 0.0000009900000000, -0.0001725000000000, -0.0000755700000000 ] - [ 0.0000616300000000, 0.0002894700000000, -0.0000038900000000 ] - [ -0.0002368400000000, -0.0002207300000000, -0.0000844500000000 ] - [ -0.0001419600000000, 0.0000939100000000, 0.0005737400000000 ] - [ 0.0000440400000000, 0.0001230800000000, -0.0001189100000000 ] - [ 0.0023374900000000, 0.0047082200000000, 0.0010026900000000 ] - [ 0.0001343400000000, 0.0000675700000000, 0.0000215100000000 ] - [ -0.0004543700000000, -0.0006765800000000, 0.0000733100000000 ] - [ -0.0002050600000000, -0.0004070700000000, 0.0002925100000000 ] - [ 0.0003315300000000, 0.0004945800000000, 0.0001994100000000 ] - [ 0.0002458700000000, 0.0001781600000000, -0.0002659300000000 ] - [ 0.0002006000000000, -0.0001616900000000, -0.0000846400000000 ] - [ 0.0000778800000000, -0.0000168000000000, 0.0000076900000000 ] - [ -0.0000997300000000, 0.0001759200000000, 0.0002078900000000 ] - [ -0.0000891600000000, -0.0002839100000000, 0.0003000900000000 ] - [ 0.0000931500000000, 0.0001100400000000, -0.0001287400000000 ] - [ 0.0001265600000000, 0.0002791300000000, -0.0001255700000000 ] - [ 0.0001791500000000, -0.0001875900000000, -0.0000061200000000 ] - [ 0.0001099900000000, -0.0001777200000000, -0.0003067000000000 ] - [ 0.0017924200000000, 0.0009946700000000, -0.0006454100000000 ] - [ -0.0002238600000000, -0.0003832700000000, -0.0004847800000000 ] - [ -0.0005800400000000, -0.0017439400000000, -0.0018267400000000 ] - [ 0.0004063900000000, 0.0006657000000000, 0.0003522600000000 ] - [ 0.0003799200000000, 0.0018818300000000, 0.0002346200000000 ] - [ -0.0003961200000000, 0.0001475200000000, 0.0001542900000000 ] - [ -0.0163423600000000, -0.1461160900000000, 0.0046726500000000 ] - [ 0.0001497200000000, 0.0001533100000000, 0.0002524600000000 ] - [ 0.0002599200000000, 0.0007139000000000, 0.0000419700000000 ] - [ 0.0054432700000000, 0.0085057600000000, -0.0074056000000000 ] - [ 0.0213726000000000, 0.0202200500000000, -0.0038078600000000 ] - [ 0.0003558400000000, 0.0003108200000000, 0.0000415000000000 ] - [ -0.0004490200000000, -0.0003794500000000, -0.0004564700000000 ] - [ -0.0214062800000000, -0.0075668200000000, 0.0053479200000000 ] - [ -0.0039636500000000, 0.0008426200000000, 0.0057552900000000 ] - [ -0.0004905300000000, 0.0000212200000000, 0.0000132200000000 ] - [ 0.0000646100000000, -0.0000107000000000, -0.0000482800000000 ] - [ -0.0015761400000000, 0.0095512300000000, 0.0002735600000000 ] - [ -0.0000733400000000, -0.0001813500000000, 0.0000017800000000 ] - [ -0.0000312200000000, -0.0002833600000000, -0.0002975400000000 ] - [ -0.0001586500000000, 0.0000253000000000, -0.0000166400000000 ] - [ -0.0002176900000000, 0.0001751600000000, -0.0001532500000000 ] - [ -0.0000911100000000, 0.0001556500000000, 0.0005604700000000 ] - [ -0.0008104400000000, 0.0005654000000000, -0.0000130900000000 ]- atom: 71 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000513800000000, -0.0000231500000000, -0.0001030900000000 ] - [ 0.0000343800000000, -0.0001835400000000, -0.0001246600000000 ] - [ -0.0284491900000000, -0.0122751000000000, 0.0079775100000000 ] - [ -0.0001243400000000, -0.0001353200000000, 0.0000360000000000 ] - [ -0.0000165400000000, -0.0004110800000000, 0.0003449500000000 ] - [ 0.0001039500000000, 0.0003720300000000, 0.0000681600000000 ] - [ -0.0001494500000000, 0.0001429800000000, -0.0001844100000000 ] - [ -0.0002258600000000, -0.0000197000000000, -0.0001072200000000 ] - [ 0.0000107000000000, -0.0002840800000000, -0.0000637300000000 ] - [ -0.0004788400000000, 0.0012967400000000, -0.0000628800000000 ] - [ 0.0001322700000000, -0.0003628600000000, -0.0001173000000000 ] - [ 0.0004783400000000, 0.0009098200000000, -0.0000486100000000 ] - [ 0.0007613300000000, 0.0005925900000000, 0.0005585400000000 ] - [ -0.0003142000000000, 0.0000338900000000, 0.0000034500000000 ] - [ -0.0004375400000000, -0.0003416700000000, 0.0004103000000000 ] - [ 0.0002282300000000, 0.0003437800000000, -0.0000050600000000 ] - [ -0.0000189500000000, -0.0001452500000000, 0.0000811600000000 ] - [ 0.0020406600000000, -0.0055414700000000, 0.0072424500000000 ] - [ 0.0164617800000000, -0.0348136700000000, -0.0160137700000000 ] - [ 0.0000617100000000, 0.0001151900000000, 0.0002452300000000 ] - [ 0.0000272000000000, 0.0003038700000000, 0.0001395400000000 ] - [ 0.0007567400000000, -0.0014323600000000, 0.0007862100000000 ] - [ -0.0002530500000000, -0.0001461600000000, 0.0000151300000000 ] - [ -0.0028557200000000, -0.0460303200000000, -0.0112517600000000 ] - [ -0.0004623200000000, -0.0105628800000000, 0.0166360000000000 ] - [ -0.0001715000000000, 0.0002765500000000, 0.0001861300000000 ] - [ -0.0001187000000000, 0.0001112800000000, -0.0003455800000000 ] - [ -0.0008955400000000, -0.0008096400000000, -0.0005311700000000 ] - [ -0.0001365700000000, -0.0004337800000000, -0.0007855400000000 ] - [ 0.0000379100000000, 0.0000171400000000, -0.0001756200000000 ] - [ -0.0000543000000000, -0.0000053200000000, 0.0000578600000000 ] - [ -0.0001296800000000, 0.0009626200000000, -0.0007662100000000 ] - [ -0.0000093700000000, 0.0001905100000000, -0.0000815000000000 ] - [ -0.0003020000000000, 0.0016796000000000, 0.0003805100000000 ] - [ -0.0001588200000000, -0.0015341400000000, 0.0008471800000000 ] - [ -0.0000701500000000, -0.0003016000000000, 0.0000106100000000 ] - [ -0.0000594700000000, 0.0000110900000000, -0.0001409300000000 ] - [ -0.0002369900000000, 0.0002796400000000, -0.0003462100000000 ] - [ -0.0000555200000000, 0.0007185000000000, 0.0004152100000000 ] - [ -0.0001349600000000, 0.0000611000000000, -0.0000514000000000 ] - [ -0.0000168900000000, -0.0000292000000000, -0.0000208000000000 ] - [ 0.0000439600000000, 0.0000567700000000, -0.0001462700000000 ] - [ 0.0002925100000000, -0.0000920800000000, 0.0000757400000000 ] - [ 0.0001853100000000, 0.0001112500000000, -0.0000030600000000 ] - [ -0.0000395800000000, 0.0001031400000000, -0.0000727500000000 ] - [ 0.0000006000000000, 0.0000748200000000, -0.0000778300000000 ] - [ 0.0000217900000000, 0.0001247000000000, -0.0001226400000000 ] - [ 0.0003202400000000, -0.0001885900000000, -0.0000393800000000 ] - [ 0.0004269600000000, -0.0003029600000000, -0.0006528700000000 ] - [ 0.0002380800000000, 0.0000838200000000, 0.0000432800000000 ] - [ -0.0019632600000000, -0.0046967400000000, -0.0008642300000000 ] - [ 0.0001831200000000, -0.0000425000000000, 0.0001400300000000 ] - [ 0.0001871700000000, 0.0005848500000000, 0.0001461600000000 ] - [ -0.0000703100000000, 0.0004753700000000, -0.0000595100000000 ] - [ -0.0004425500000000, -0.0006037400000000, -0.0001927700000000 ] - [ -0.0003569700000000, -0.0000741800000000, 0.0002755000000000 ] - [ -0.0000656400000000, 0.0000971000000000, 0.0000660000000000 ] - [ 0.0000587400000000, 0.0000807600000000, -0.0000266800000000 ] - [ -0.0000062200000000, 0.0001326600000000, 0.0000259300000000 ] - [ -0.0000163400000000, -0.0000235400000000, -0.0000686700000000 ] - [ 0.0000808600000000, -0.0004198000000000, -0.0000818200000000 ] - [ 0.0000452000000000, 0.0000323000000000, -0.0000876900000000 ] - [ -0.0002201700000000, -0.0000122400000000, -0.0001390400000000 ] - [ -0.0001505800000000, 0.0003783000000000, 0.0001619700000000 ] - [ -0.0020994600000000, -0.0007874900000000, 0.0002508200000000 ] - [ -0.0001078700000000, 0.0001667000000000, 0.0001044700000000 ] - [ 0.0003981600000000, 0.0019134200000000, 0.0017963700000000 ] - [ -0.0005888200000000, -0.0008116200000000, -0.0003787500000000 ] - [ -0.0003147200000000, -0.0017280500000000, -0.0003612200000000 ] - [ 0.0004660500000000, -0.0002972400000000, -0.0002848700000000 ] - [ 0.0169739500000000, 0.1465329200000000, -0.0048680100000000 ] - [ -0.0001216500000000, -0.0001880800000000, -0.0003187100000000 ] - [ -0.0000620800000000, -0.0007375900000000, -0.0000032300000000 ] - [ -0.0053072900000000, -0.0085318100000000, 0.0074976400000000 ] - [ -0.0213646400000000, -0.0207557700000000, 0.0035682300000000 ] - [ -0.0000387100000000, -0.0003673000000000, -0.0002374300000000 ] - [ 0.0002526400000000, 0.0001233400000000, 0.0005563800000000 ] - [ 0.0210841200000000, 0.0078877100000000, -0.0051822700000000 ] - [ 0.0040065600000000, -0.0006852200000000, -0.0056390500000000 ] - [ 0.0005003700000000, -0.0001772300000000, 0.0000544400000000 ] - [ 0.0000929400000000, -0.0000880800000000, -0.0000557800000000 ] - [ 0.0017099900000000, -0.0094844500000000, -0.0003736400000000 ] - [ -0.0001311800000000, 0.0002427400000000, 0.0000473700000000 ] - [ -0.0001737800000000, 0.0002186200000000, 0.0003505900000000 ] - [ 0.0000974000000000, -0.0002184200000000, 0.0000947400000000 ] - [ 0.0001580000000000, 0.0000172800000000, 0.0002311800000000 ] - [ 0.0001227200000000, -0.0001918000000000, -0.0004211900000000 ] - [ 0.0008442800000000, -0.0005286600000000, 0.0001578500000000 ]- atom: 71 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000513900000000, 0.0000357700000000, 0.0001208000000000 ] - [ 0.0000283000000000, 0.0000430500000000, -0.0001428700000000 ] - [ -0.0185325400000000, -0.0075720700000000, 0.0055551200000000 ] - [ -0.0001500200000000, -0.0001293400000000, 0.0000833600000000 ] - [ 0.0002614600000000, -0.0002576400000000, -0.0003201700000000 ] - [ 0.0000397000000000, 0.0001096500000000, -0.0000525900000000 ] - [ -0.0000918000000000, -0.0001112300000000, 0.0001118600000000 ] - [ -0.0005279300000000, -0.0003475900000000, -0.0009051500000000 ] - [ 0.0001480300000000, -0.0002446200000000, -0.0002081000000000 ] - [ 0.0001692400000000, 0.0002540000000000, -0.0000084700000000 ] - [ 0.0002121400000000, -0.0003175100000000, -0.0002206400000000 ] - [ -0.0002966900000000, -0.0002124200000000, 0.0005002700000000 ] - [ -0.0002131300000000, 0.0000409700000000, 0.0001959200000000 ] - [ -0.0007130400000000, 0.0002969400000000, -0.0004130200000000 ] - [ 0.0009922600000000, -0.0002106600000000, -0.0007907000000000 ] - [ -0.0001222600000000, 0.0001429800000000, 0.0001877400000000 ] - [ -0.0000835700000000, -0.0001593500000000, -0.0000102200000000 ] - [ 0.0216511400000000, -0.0070829000000000, 0.0353452100000000 ] - [ -0.0118556200000000, 0.0154032600000000, 0.0131839200000000 ] - [ 0.0001293200000000, 0.0000515300000000, 0.0001689500000000 ] - [ -0.0000917400000000, 0.0001038900000000, 0.0000356800000000 ] - [ 0.0002228300000000, -0.0006556900000000, 0.0004019500000000 ] - [ -0.0003227900000000, 0.0002349100000000, -0.0001324200000000 ] - [ -0.0020151300000000, 0.0126182500000000, 0.0077988400000000 ] - [ 0.0036935400000000, -0.0167746800000000, 0.0451479200000000 ] - [ 0.0000628200000000, -0.0000064200000000, -0.0003904900000000 ] - [ -0.0001349900000000, 0.0003173300000000, -0.0004093100000000 ] - [ 0.0003642200000000, 0.0009480200000000, 0.0016644600000000 ] - [ -0.0007356900000000, 0.0003589100000000, 0.0015891300000000 ] - [ 0.0000644900000000, -0.0000558600000000, -0.0002371200000000 ] - [ -0.0001070300000000, 0.0000444800000000, 0.0000891600000000 ] - [ -0.0000507600000000, 0.0004933100000000, -0.0016499600000000 ] - [ -0.0000078900000000, 0.0001229800000000, -0.0000691400000000 ] - [ -0.0000243400000000, 0.0002337600000000, -0.0006443200000000 ] - [ -0.0001296200000000, -0.0007124100000000, 0.0006419100000000 ] - [ -0.0000291800000000, -0.0002113800000000, -0.0000311600000000 ] - [ -0.0000821600000000, 0.0000250200000000, -0.0001378400000000 ] - [ 0.0003809500000000, -0.0007938300000000, -0.0011329000000000 ] - [ -0.0000165800000000, 0.0002445100000000, -0.0010690100000000 ] - [ -0.0000446600000000, 0.0000119500000000, -0.0000729400000000 ] - [ 0.0000372200000000, -0.0000278600000000, -0.0000057900000000 ] - [ -0.0001456100000000, 0.0000461900000000, -0.0001783200000000 ] - [ 0.0003755300000000, -0.0001178400000000, 0.0000699000000000 ] - [ 0.0003513100000000, 0.0000794200000000, 0.0000625100000000 ] - [ -0.0000399200000000, 0.0000883500000000, -0.0001886300000000 ] - [ 0.0001026000000000, 0.0000786800000000, -0.0000912200000000 ] - [ -0.0000527500000000, 0.0001553100000000, -0.0002317600000000 ] - [ 0.0003057500000000, 0.0001745000000000, 0.0001279500000000 ] - [ 0.0003136500000000, -0.0001285300000000, -0.0002026600000000 ] - [ 0.0001507300000000, 0.0000352600000000, 0.0000325100000000 ] - [ -0.0017519000000000, 0.0011846700000000, 0.0043679500000000 ] - [ 0.0001713500000000, -0.0000046100000000, 0.0000261000000000 ] - [ -0.0006511500000000, -0.0001734000000000, -0.0001385700000000 ] - [ 0.0004150200000000, 0.0004443600000000, -0.0002814600000000 ] - [ 0.0001638000000000, -0.0002588700000000, -0.0003672200000000 ] - [ -0.0009959600000000, -0.0003914200000000, -0.0002160200000000 ] - [ -0.0001393900000000, -0.0001219300000000, -0.0001337700000000 ] - [ 0.0001005000000000, 0.0000391100000000, 0.0000050400000000 ] - [ -0.0000561200000000, 0.0002374200000000, 0.0002540700000000 ] - [ 0.0001679000000000, 0.0000512000000000, -0.0003033400000000 ] - [ -0.0000923200000000, -0.0004538300000000, -0.0003831800000000 ] - [ 0.0001321000000000, 0.0001864300000000, -0.0000653500000000 ] - [ -0.0001901500000000, -0.0000740900000000, -0.0002036700000000 ] - [ 0.0000533300000000, 0.0001661100000000, 0.0000184800000000 ] - [ 0.0000376200000000, -0.0021892100000000, -0.0016109400000000 ] - [ 0.0003731500000000, 0.0002179700000000, 0.0006715100000000 ] - [ -0.0020529300000000, -0.0000752400000000, 0.0011604200000000 ] - [ 0.0002097200000000, 0.0005484800000000, 0.0002484800000000 ] - [ 0.0003111600000000, 0.0003901600000000, -0.0000970000000000 ] - [ -0.0003583900000000, -0.0002390400000000, 0.0018866000000000 ] - [ 0.0105439500000000, 0.0048771600000000, -0.1436441800000000 ] - [ -0.0000252400000000, -0.0003002000000000, 0.0004077200000000 ] - [ 0.0000667400000000, -0.0004778200000000, 0.0001399300000000 ] - [ -0.0211475100000000, -0.0112328000000000, 0.0162688600000000 ] - [ 0.0095555900000000, 0.0011867000000000, 0.0006384200000000 ] - [ 0.0000631600000000, -0.0001625900000000, -0.0000285600000000 ] - [ 0.0006255000000000, -0.0003770800000000, 0.0006974500000000 ] - [ -0.0117453600000000, 0.0005550800000000, 0.0089702400000000 ] - [ 0.0211708000000000, 0.0089727700000000, -0.0020967300000000 ] - [ -0.0001009100000000, 0.0001221400000000, 0.0002927100000000 ] - [ 0.0000555200000000, -0.0000497400000000, -0.0001564500000000 ] - [ 0.0013846000000000, 0.0005275900000000, 0.0097660000000000 ] - [ -0.0002827300000000, -0.0000414300000000, -0.0001159200000000 ] - [ 0.0001991800000000, 0.0002670400000000, 0.0000299700000000 ] - [ 0.0007688100000000, -0.0000857100000000, 0.0005507700000000 ] - [ -0.0002364600000000, -0.0000100600000000, -0.0000312400000000 ] - [ -0.0001587400000000, -0.0000123200000000, 0.0001492600000000 ] - [ -0.0000754300000000, 0.0000936800000000, 0.0001555200000000 ]- atom: 71 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000892200000000, -0.0000553200000000, -0.0002565600000000 ] - [ 0.0001121200000000, -0.0000242300000000, 0.0000066000000000 ] - [ 0.0181575000000000, 0.0076918000000000, -0.0055799600000000 ] - [ -0.0001083700000000, -0.0000424200000000, -0.0000145800000000 ] - [ -0.0001412500000000, -0.0000798400000000, 0.0002941600000000 ] - [ 0.0000817200000000, 0.0002280700000000, 0.0000256800000000 ] - [ -0.0000862800000000, -0.0000565900000000, -0.0000991700000000 ] - [ 0.0003486900000000, 0.0005156400000000, 0.0009162500000000 ] - [ -0.0000104900000000, -0.0003309200000000, 0.0000874200000000 ] - [ -0.0000315500000000, 0.0003234300000000, -0.0001128400000000 ] - [ -0.0001646600000000, 0.0000483800000000, 0.0004707600000000 ] - [ 0.0003433500000000, 0.0004769300000000, -0.0002520300000000 ] - [ 0.0001028700000000, -0.0002139000000000, 0.0001061100000000 ] - [ 0.0006012800000000, -0.0001238200000000, 0.0007123700000000 ] - [ -0.0009281000000000, -0.0001478000000000, 0.0009632200000000 ] - [ 0.0001955000000000, 0.0002157400000000, -0.0000167100000000 ] - [ 0.0000590300000000, -0.0002470500000000, 0.0001479600000000 ] - [ -0.0207663700000000, 0.0069311200000000, -0.0334572800000000 ] - [ 0.0120871600000000, -0.0156163500000000, -0.0126563700000000 ] - [ 0.0000026300000000, -0.0000475400000000, 0.0003169200000000 ] - [ -0.0000792000000000, -0.0000813700000000, 0.0001105900000000 ] - [ -0.0003816800000000, 0.0006244100000000, -0.0002710300000000 ] - [ -0.0000722600000000, -0.0006441600000000, 0.0001706900000000 ] - [ 0.0015810100000000, -0.0120949600000000, -0.0077809000000000 ] - [ -0.0044908100000000, 0.0173552900000000, -0.0473810100000000 ] - [ -0.0000921900000000, 0.0001660600000000, 0.0001217100000000 ] - [ -0.0000293700000000, -0.0005519600000000, 0.0004787800000000 ] - [ -0.0005564000000000, -0.0007016800000000, -0.0015562600000000 ] - [ 0.0008513500000000, -0.0002876100000000, -0.0019188700000000 ] - [ 0.0000651200000000, -0.0000341800000000, -0.0000739100000000 ] - [ 0.0000459900000000, -0.0002162500000000, -0.0000532700000000 ] - [ -0.0000201300000000, -0.0003175900000000, 0.0016611800000000 ] - [ -0.0000010800000000, 0.0000925600000000, -0.0000546100000000 ] - [ 0.0000213200000000, -0.0004559000000000, 0.0005193200000000 ] - [ 0.0002417600000000, 0.0009831000000000, -0.0005170100000000 ] - [ 0.0001251800000000, -0.0000541400000000, 0.0001605600000000 ] - [ 0.0000131800000000, -0.0000327900000000, -0.0000865300000000 ] - [ -0.0004515700000000, 0.0007994900000000, 0.0009043600000000 ] - [ -0.0001159500000000, -0.0003044200000000, 0.0010092700000000 ] - [ -0.0000923300000000, 0.0000500700000000, 0.0000056900000000 ] - [ -0.0001146900000000, -0.0000476300000000, -0.0000281100000000 ] - [ 0.0000667900000000, 0.0000301800000000, 0.0001445300000000 ] - [ 0.0001284700000000, 0.0000478900000000, -0.0000656500000000 ] - [ 0.0001527100000000, -0.0000077300000000, -0.0000576600000000 ] - [ 0.0000452300000000, 0.0000097800000000, 0.0000328600000000 ] - [ -0.0000974100000000, -0.0001765800000000, -0.0000644000000000 ] - [ 0.0001400400000000, 0.0002604600000000, 0.0001023100000000 ] - [ -0.0002178100000000, -0.0005907800000000, -0.0002561600000000 ] - [ -0.0000248000000000, -0.0000786300000000, 0.0001182200000000 ] - [ 0.0001337100000000, 0.0001684800000000, -0.0001078800000000 ] - [ 0.0021328000000000, -0.0011869400000000, -0.0042564100000000 ] - [ 0.0001446100000000, 0.0000269600000000, 0.0001350000000000 ] - [ 0.0003746000000000, 0.0001022100000000, 0.0003590900000000 ] - [ -0.0006838800000000, -0.0003813700000000, 0.0005155200000000 ] - [ -0.0002811000000000, 0.0001593600000000, 0.0003797900000000 ] - [ 0.0008803200000000, 0.0004947800000000, 0.0002246500000000 ] - [ 0.0002750400000000, 0.0000549300000000, 0.0001165900000000 ] - [ 0.0000379500000000, 0.0000272100000000, -0.0000221600000000 ] - [ -0.0000473900000000, 0.0000694800000000, -0.0000196100000000 ] - [ -0.0002729700000000, -0.0003560800000000, 0.0005342100000000 ] - [ 0.0002632400000000, 0.0001430200000000, 0.0001692500000000 ] - [ 0.0000383000000000, 0.0001250800000000, -0.0001488500000000 ] - [ 0.0001510500000000, -0.0001269200000000, 0.0000586900000000 ] - [ -0.0000898800000000, 0.0000364500000000, -0.0001645200000000 ] - [ -0.0003734400000000, 0.0024071700000000, 0.0012189200000000 ] - [ -0.0007112800000000, -0.0004337700000000, -0.0010513800000000 ] - [ 0.0018847200000000, 0.0002416400000000, -0.0011803100000000 ] - [ -0.0003999800000000, -0.0007007200000000, -0.0002769100000000 ] - [ -0.0002432900000000, -0.0002468500000000, -0.0000260300000000 ] - [ 0.0004249400000000, 0.0000868300000000, -0.0020193900000000 ] - [ -0.0102214800000000, -0.0047139000000000, 0.1435278700000000 ] - [ 0.0000547300000000, 0.0002689600000000, -0.0004797500000000 ] - [ 0.0001325700000000, 0.0004555500000000, -0.0001107400000000 ] - [ 0.0211594400000000, 0.0110319300000000, -0.0158076700000000 ] - [ -0.0092362600000000, -0.0010801400000000, -0.0008212900000000 ] - [ 0.0002635900000000, 0.0001092000000000, -0.0001643000000000 ] - [ -0.0008239500000000, 0.0001214200000000, -0.0005987100000000 ] - [ 0.0114629500000000, -0.0002739800000000, -0.0088080800000000 ] - [ -0.0213085600000000, -0.0088319100000000, 0.0020631800000000 ] - [ 0.0001138300000000, -0.0002864800000000, -0.0002325200000000 ] - [ 0.0001032600000000, -0.0000483400000000, 0.0000564500000000 ] - [ -0.0012391200000000, -0.0004366400000000, -0.0098552500000000 ] - [ 0.0000828800000000, 0.0001055300000000, 0.0001700800000000 ] - [ -0.0004004500000000, -0.0003301700000000, 0.0000272100000000 ] - [ -0.0008304600000000, -0.0001111400000000, -0.0004728600000000 ] - [ 0.0001739900000000, 0.0002054300000000, 0.0001087400000000 ] - [ 0.0001856400000000, -0.0000244800000000, -0.0000061800000000 ] - [ 0.0001049100000000, -0.0000580800000000, -0.0000110900000000 ]- atom: 73 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0001166700000000, 0.0000053700000000, -0.0000885100000000 ] - [ 0.0002813900000000, -0.0000607500000000, -0.0000073300000000 ] - [ -0.0001598400000000, 0.0000469800000000, 0.0000514600000000 ] - [ 0.0122679400000000, 0.0077315900000000, 0.0282329600000000 ] - [ -0.0000054900000000, -0.0001406600000000, -0.0000158900000000 ] - [ 0.0000523100000000, 0.0001547600000000, -0.0000570900000000 ] - [ -0.0008255900000000, 0.0004064500000000, -0.0007784000000000 ] - [ -0.0001127700000000, 0.0000595300000000, 0.0000465000000000 ] - [ -0.0002035200000000, -0.0007044700000000, -0.0000332400000000 ] - [ 0.0000190600000000, 0.0001788300000000, -0.0001828900000000 ] - [ -0.0001527800000000, 0.0000678800000000, 0.0002276100000000 ] - [ 0.0000050600000000, 0.0002187000000000, -0.0000207900000000 ] - [ -0.0010041300000000, -0.0002225300000000, -0.0003132600000000 ] - [ 0.0000948000000000, 0.0000465600000000, 0.0002482400000000 ] - [ -0.0000267100000000, -0.0001884400000000, 0.0001302700000000 ] - [ 0.0000742800000000, 0.0001997600000000, -0.0002098000000000 ] - [ 0.0521959700000000, -0.0140278400000000, 0.0009485500000000 ] - [ 0.0000630000000000, 0.0001744600000000, 0.0000852900000000 ] - [ 0.0002646300000000, -0.0001595500000000, 0.0001609200000000 ] - [ 0.0021872300000000, 0.0008655300000000, 0.0004527100000000 ] - [ 0.0101364400000000, 0.0170459800000000, 0.0007649800000000 ] - [ 0.0000752500000000, -0.0005361100000000, -0.0001590600000000 ] - [ 0.0008620600000000, -0.0006081300000000, 0.0008054600000000 ] - [ -0.0001873700000000, 0.0000721500000000, -0.0000029500000000 ] - [ 0.0000148300000000, -0.0001957000000000, 0.0000645000000000 ] - [ -0.0002520500000000, 0.0000095500000000, -0.0000109300000000 ] - [ 0.0058939700000000, 0.0079825200000000, -0.0024402400000000 ] - [ -0.0000696000000000, 0.0000172400000000, -0.0000499100000000 ] - [ 0.0004379900000000, 0.0005718000000000, 0.0002887500000000 ] - [ -0.0005071300000000, 0.0003522200000000, -0.0000434500000000 ] - [ 0.0289066600000000, -0.0115766500000000, -0.0119232100000000 ] - [ 0.0000194100000000, 0.0001614700000000, -0.0000173200000000 ] - [ 0.0006611700000000, -0.0007156300000000, 0.0003695400000000 ] - [ 0.0003619100000000, 0.0002723900000000, 0.0002613700000000 ] - [ 0.0001411000000000, -0.0000290500000000, 0.0001726200000000 ] - [ -0.0007479100000000, -0.0008380000000000, 0.0003576400000000 ] - [ 0.0012496900000000, 0.0006994400000000, -0.0007099300000000 ] - [ -0.0000875600000000, -0.0000048300000000, -0.0000867300000000 ] - [ -0.0000623000000000, 0.0000242800000000, 0.0000446400000000 ] - [ -0.0019223600000000, 0.0007101300000000, 0.0009663100000000 ] - [ -0.0010500800000000, -0.0001440200000000, 0.0004474800000000 ] - [ -0.0001205000000000, 0.0000210900000000, -0.0000049000000000 ] - [ -0.0000967000000000, 0.0001661400000000, -0.0001996200000000 ] - [ 0.0001112200000000, 0.0000056900000000, -0.0000153800000000 ] - [ -0.0000760100000000, 0.0001002300000000, -0.0000601800000000 ] - [ -0.0004023900000000, -0.0002960400000000, 0.0000718500000000 ] - [ 0.0000009600000000, 0.0001694800000000, -0.0000260500000000 ] - [ -0.0002022000000000, -0.0001302200000000, -0.0001268800000000 ] - [ 0.0000218300000000, -0.0000810700000000, -0.0000146200000000 ] - [ 0.0000734700000000, 0.0000970100000000, -0.0000013900000000 ] - [ 0.0002079500000000, 0.0000697500000000, 0.0000747300000000 ] - [ 0.0007949300000000, -0.0002251200000000, 0.0006185400000000 ] - [ 0.0040676400000000, -0.0010865400000000, 0.0017622400000000 ] - [ -0.0000510100000000, 0.0001966500000000, 0.0005547600000000 ] - [ -0.0001747400000000, 0.0000067800000000, 0.0001526000000000 ] - [ -0.0004324400000000, -0.0000870800000000, -0.0000172800000000 ] - [ 0.0000145200000000, -0.0000643700000000, -0.0000048500000000 ] - [ -0.0008530500000000, 0.0000252300000000, -0.0002898900000000 ] - [ 0.0000210000000000, -0.0000171100000000, -0.0000998000000000 ] - [ -0.0000746700000000, -0.0001597700000000, 0.0001592500000000 ] - [ 0.0016901400000000, -0.0023518500000000, -0.0009315700000000 ] - [ 0.0003545600000000, 0.0001549200000000, -0.0001063100000000 ] - [ 0.0003772800000000, 0.0000397100000000, -0.0000662300000000 ] - [ 0.0001202600000000, 0.0001373000000000, -0.0000236600000000 ] - [ 0.0006295800000000, -0.0003101200000000, 0.0004186500000000 ] - [ -0.0001036100000000, -0.0000347700000000, -0.0005876500000000 ] - [ 0.0000754200000000, -0.0001671400000000, 0.0000987200000000 ] - [ -0.0003644700000000, -0.0000143700000000, 0.0000532300000000 ] - [ 0.0007485400000000, 0.0005544000000000, 0.0018755800000000 ] - [ -0.0002220600000000, 0.0004305900000000, -0.0004121900000000 ] - [ -0.0002302800000000, 0.0001785500000000, -0.0000689000000000 ] - [ -0.0092159600000000, -0.0054320700000000, -0.0212470400000000 ] - [ -0.1438234000000000, -0.0052059600000000, -0.0132337100000000 ] - [ -0.0001604600000000, 0.0002829400000000, 0.0000573800000000 ] - [ -0.0010991900000000, 0.0018826500000000, -0.0003682200000000 ] - [ 0.0003322900000000, -0.0058763600000000, -0.0042786600000000 ] - [ 0.0082906600000000, 0.0074934600000000, 0.0047276000000000 ] - [ -0.0000157500000000, 0.0002194400000000, -0.0000242500000000 ] - [ 0.0001635200000000, -0.0000469400000000, -0.0003272300000000 ] - [ 0.0092626200000000, -0.0004250800000000, -0.0012805600000000 ] - [ 0.0178106200000000, 0.0023902600000000, 0.0152105600000000 ] - [ 0.0002440400000000, -0.0003865300000000, -0.0001399700000000 ] - [ 0.0004026900000000, 0.0000941800000000, -0.0006564900000000 ] - [ 0.0002093500000000, -0.0001688200000000, 0.0001799000000000 ] - [ 0.0000043600000000, -0.0001142100000000, 0.0000387200000000 ] - [ 0.0017777500000000, -0.0000685300000000, 0.0003581400000000 ] - [ 0.0008074200000000, -0.0001063300000000, 0.0002988600000000 ] - [ 0.0000986600000000, 0.0002167200000000, -0.0000747100000000 ]- atom: 73 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000267200000000, -0.0000240600000000, -0.0000483700000000 ] - [ -0.0001386800000000, 0.0000801700000000, -0.0001297700000000 ] - [ -0.0001001300000000, 0.0001250500000000, 0.0000168300000000 ] - [ -0.0125031100000000, -0.0079916400000000, -0.0284502100000000 ] - [ 0.0001262900000000, -0.0001924400000000, -0.0000117600000000 ] - [ 0.0000691700000000, 0.0001787200000000, 0.0000283200000000 ] - [ 0.0006393700000000, -0.0005706900000000, 0.0007830000000000 ] - [ -0.0000660400000000, 0.0001086500000000, -0.0000334500000000 ] - [ 0.0003428100000000, 0.0001268400000000, -0.0000876900000000 ] - [ 0.0001227800000000, 0.0003939000000000, 0.0000605200000000 ] - [ 0.0002021700000000, -0.0003369900000000, 0.0000213200000000 ] - [ 0.0000459100000000, 0.0000542300000000, 0.0002672800000000 ] - [ 0.0008827100000000, 0.0000478600000000, 0.0006088000000000 ] - [ -0.0002044600000000, 0.0001250300000000, 0.0000559200000000 ] - [ 0.0001002300000000, -0.0001697800000000, 0.0000389600000000 ] - [ 0.0000024200000000, 0.0001571400000000, 0.0003777500000000 ] - [ -0.0501141400000000, 0.0126848000000000, -0.0013338100000000 ] - [ -0.0000910300000000, 0.0002312200000000, 0.0000487300000000 ] - [ -0.0001328300000000, 0.0001577600000000, 0.0003272100000000 ] - [ -0.0020411300000000, -0.0008593500000000, 0.0000249300000000 ] - [ -0.0104221300000000, -0.0170269000000000, -0.0006006100000000 ] - [ -0.0002496900000000, 0.0005174300000000, 0.0003067200000000 ] - [ -0.0012477500000000, 0.0002170900000000, -0.0007599600000000 ] - [ -0.0002114200000000, 0.0003334100000000, 0.0000396600000000 ] - [ -0.0000457000000000, 0.0000350200000000, -0.0003331100000000 ] - [ 0.0002209800000000, 0.0001555400000000, -0.0002467800000000 ] - [ -0.0060057500000000, -0.0081600600000000, 0.0024678700000000 ] - [ -0.0000958300000000, 0.0002089400000000, 0.0001121800000000 ] - [ -0.0003089900000000, -0.0004846800000000, -0.0006040700000000 ] - [ 0.0006438600000000, -0.0004369600000000, -0.0002678900000000 ] - [ -0.0305499600000000, 0.0121792400000000, 0.0125855300000000 ] - [ -0.0000794800000000, 0.0000119100000000, 0.0000540700000000 ] - [ -0.0006549400000000, 0.0009489900000000, -0.0004976600000000 ] - [ -0.0003671400000000, -0.0004916200000000, -0.0003842200000000 ] - [ -0.0000421800000000, 0.0002949100000000, -0.0000416200000000 ] - [ 0.0008484100000000, 0.0005685200000000, -0.0002278800000000 ] - [ -0.0013590300000000, -0.0007439300000000, 0.0004838300000000 ] - [ 0.0000181100000000, 0.0000115500000000, -0.0001399500000000 ] - [ -0.0000742700000000, -0.0000838600000000, -0.0001057000000000 ] - [ 0.0018184800000000, -0.0006672800000000, -0.0010520800000000 ] - [ 0.0009762500000000, 0.0000720600000000, -0.0004801800000000 ] - [ 0.0000439400000000, 0.0000535000000000, -0.0000251400000000 ] - [ 0.0006018100000000, -0.0002354900000000, 0.0002028300000000 ] - [ 0.0003940600000000, 0.0000635000000000, 0.0000174300000000 ] - [ 0.0000771700000000, -0.0000014600000000, -0.0000930200000000 ] - [ 0.0004034100000000, 0.0001978200000000, -0.0002244600000000 ] - [ 0.0000816600000000, 0.0002429900000000, -0.0001006000000000 ] - [ 0.0002847800000000, -0.0002816000000000, 0.0000004600000000 ] - [ 0.0002595400000000, -0.0001264100000000, -0.0000601600000000 ] - [ 0.0002083400000000, 0.0001113500000000, -0.0000757500000000 ] - [ 0.0001100900000000, -0.0000934400000000, 0.0000878100000000 ] - [ -0.0004836500000000, 0.0002534100000000, -0.0004581300000000 ] - [ -0.0043335200000000, 0.0010421500000000, -0.0015000200000000 ] - [ -0.0002247900000000, -0.0001252000000000, -0.0003297600000000 ] - [ 0.0000629200000000, -0.0001094000000000, -0.0001452100000000 ] - [ 0.0003189000000000, 0.0001819200000000, 0.0000283400000000 ] - [ 0.0001219600000000, 0.0000000900000000, -0.0000150500000000 ] - [ 0.0009673700000000, 0.0000456000000000, 0.0002785200000000 ] - [ -0.0001275500000000, 0.0003239000000000, 0.0003298500000000 ] - [ -0.0000311600000000, -0.0001470700000000, 0.0000730500000000 ] - [ -0.0015310000000000, 0.0020433200000000, 0.0007186900000000 ] - [ -0.0001829900000000, 0.0001528000000000, -0.0001015300000000 ] - [ -0.0004140400000000, -0.0002385000000000, -0.0000837800000000 ] - [ -0.0001594500000000, 0.0000647000000000, -0.0001206100000000 ] - [ -0.0009508700000000, 0.0005222100000000, -0.0007965300000000 ] - [ -0.0002257500000000, -0.0001835000000000, 0.0002032600000000 ] - [ -0.0002628700000000, 0.0003207600000000, -0.0001284900000000 ] - [ 0.0001741500000000, -0.0001409400000000, -0.0000834800000000 ] - [ -0.0006868400000000, -0.0003988700000000, -0.0019771500000000 ] - [ 0.0002890000000000, -0.0005745800000000, 0.0002867700000000 ] - [ 0.0002593400000000, -0.0001443200000000, 0.0000002700000000 ] - [ 0.0093291500000000, 0.0053146500000000, 0.0210531800000000 ] - [ 0.1440677900000000, 0.0055072300000000, 0.0138979700000000 ] - [ 0.0003577800000000, -0.0002543700000000, -0.0000256900000000 ] - [ 0.0014299300000000, -0.0018284900000000, 0.0001802400000000 ] - [ -0.0000165500000000, 0.0057781300000000, 0.0041211300000000 ] - [ -0.0085406300000000, -0.0078030400000000, -0.0046843200000000 ] - [ -0.0001800100000000, 0.0000360600000000, 0.0001257700000000 ] - [ -0.0001556800000000, 0.0002113800000000, 0.0003925500000000 ] - [ -0.0092832800000000, 0.0002576700000000, 0.0013138200000000 ] - [ -0.0182034000000000, -0.0024554500000000, -0.0155945800000000 ] - [ -0.0000851300000000, 0.0004876900000000, 0.0000356000000000 ] - [ -0.0006040400000000, -0.0000334200000000, 0.0007105400000000 ] - [ -0.0004102500000000, 0.0001065500000000, -0.0001271400000000 ] - [ -0.0000637600000000, -0.0000798200000000, 0.0000397100000000 ] - [ -0.0018252600000000, 0.0002646700000000, -0.0002847900000000 ] - [ -0.0007720000000000, 0.0000629600000000, -0.0001525400000000 ] - [ -0.0000695100000000, -0.0001773800000000, 0.0002175300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001109900000000, 0.0000442400000000, -0.0000696300000000 ] - [ 0.0000002600000000, -0.0000679600000000, -0.0000482600000000 ] - [ -0.0001967100000000, 0.0003068100000000, 0.0000872600000000 ] - [ 0.0069390700000000, 0.0052558800000000, 0.0180151600000000 ] - [ 0.0000153100000000, -0.0002471700000000, 0.0000442400000000 ] - [ 0.0000532600000000, 0.0001816700000000, -0.0000918900000000 ] - [ -0.0002485700000000, -0.0000002500000000, 0.0001102300000000 ] - [ -0.0001323500000000, 0.0000615000000000, 0.0000792700000000 ] - [ -0.0004965200000000, -0.0008339600000000, -0.0000151100000000 ] - [ -0.0001224800000000, 0.0004929900000000, -0.0000798000000000 ] - [ 0.0001001100000000, -0.0003551100000000, 0.0000726300000000 ] - [ 0.0000526300000000, 0.0001486900000000, 0.0001921900000000 ] - [ 0.0005288000000000, 0.0003355300000000, 0.0004845200000000 ] - [ 0.0000218000000000, 0.0000054900000000, 0.0002158200000000 ] - [ -0.0004580100000000, -0.0003558400000000, 0.0002193600000000 ] - [ -0.0003186600000000, 0.0003909200000000, -0.0000956600000000 ] - [ -0.0139232700000000, 0.0088828400000000, 0.0026619400000000 ] - [ 0.0000257000000000, 0.0001051800000000, 0.0001370000000000 ] - [ 0.0002272400000000, -0.0003334800000000, 0.0000752500000000 ] - [ 0.0010421900000000, 0.0005187000000000, 0.0004040100000000 ] - [ 0.0181314600000000, 0.0515599600000000, -0.0058423600000000 ] - [ -0.0000041300000000, -0.0002991600000000, -0.0001313900000000 ] - [ -0.0011271800000000, 0.0016033100000000, -0.0003487900000000 ] - [ -0.0003279700000000, -0.0002369400000000, 0.0000438800000000 ] - [ -0.0002532300000000, -0.0006170100000000, 0.0004113200000000 ] - [ 0.0005671800000000, -0.0009222100000000, -0.0004930900000000 ] - [ 0.0061717200000000, 0.0318787200000000, -0.0201555400000000 ] - [ -0.0000521600000000, 0.0000105500000000, 0.0001062200000000 ] - [ 0.0001027800000000, -0.0008366600000000, -0.0009820400000000 ] - [ -0.0000894700000000, -0.0009295400000000, -0.0002332500000000 ] - [ -0.0135356300000000, 0.0102690000000000, 0.0094687800000000 ] - [ 0.0000654000000000, 0.0001597600000000, -0.0001034300000000 ] - [ -0.0001938300000000, 0.0019417800000000, 0.0006637600000000 ] - [ 0.0000900800000000, -0.0004092700000000, -0.0003108100000000 ] - [ 0.0004559500000000, -0.0008608400000000, 0.0005189900000000 ] - [ -0.0004641900000000, -0.0020062500000000, 0.0003509700000000 ] - [ 0.0004147800000000, 0.0001643100000000, -0.0004726200000000 ] - [ -0.0000327600000000, -0.0001448900000000, -0.0001001200000000 ] - [ -0.0000708900000000, -0.0002211600000000, -0.0001309000000000 ] - [ -0.0002259100000000, -0.0007537300000000, -0.0001937200000000 ] - [ -0.0000450100000000, 0.0001652600000000, -0.0000332000000000 ] - [ -0.0000475200000000, 0.0000293000000000, -0.0000087700000000 ] - [ 0.0001752500000000, -0.0001218000000000, 0.0000364600000000 ] - [ 0.0001461800000000, 0.0000390000000000, -0.0000833500000000 ] - [ -0.0001434800000000, 0.0001270100000000, 0.0000137300000000 ] - [ 0.0000823400000000, 0.0000829000000000, -0.0000906300000000 ] - [ 0.0000478200000000, 0.0000982600000000, -0.0000649900000000 ] - [ 0.0001282800000000, -0.0002688300000000, 0.0000032300000000 ] - [ 0.0000424400000000, -0.0002243400000000, -0.0001302900000000 ] - [ 0.0001055800000000, 0.0001482700000000, -0.0001244300000000 ] - [ 0.0001530500000000, -0.0001012700000000, 0.0000610000000000 ] - [ 0.0002838500000000, -0.0004120500000000, -0.0001070700000000 ] - [ -0.0015552900000000, 0.0036099700000000, 0.0007746600000000 ] - [ 0.0004146600000000, -0.0001428800000000, 0.0010700900000000 ] - [ 0.0000261100000000, -0.0002054900000000, 0.0002316200000000 ] - [ -0.0004551900000000, -0.0005352800000000, -0.0003959300000000 ] - [ 0.0000844300000000, -0.0000047900000000, -0.0000347200000000 ] - [ 0.0004094800000000, -0.0002079200000000, 0.0004471200000000 ] - [ -0.0001275100000000, 0.0003115700000000, 0.0003079600000000 ] - [ -0.0000415300000000, -0.0001762200000000, 0.0000924100000000 ] - [ -0.0007115600000000, 0.0004659900000000, 0.0001548300000000 ] - [ 0.0003710300000000, -0.0001410900000000, 0.0000646500000000 ] - [ 0.0005183300000000, 0.0001673200000000, -0.0001440900000000 ] - [ -0.0000585300000000, 0.0001548500000000, -0.0001179000000000 ] - [ -0.0009594600000000, 0.0005349400000000, -0.0006224700000000 ] - [ -0.0003510400000000, 0.0001915100000000, -0.0001159400000000 ] - [ 0.0002706400000000, 0.0005593600000000, 0.0000518000000000 ] - [ -0.0000166900000000, -0.0001850800000000, 0.0001746800000000 ] - [ 0.0024411600000000, -0.0016223300000000, -0.0001505700000000 ] - [ 0.0002493400000000, 0.0006203200000000, -0.0007979600000000 ] - [ -0.0001893000000000, 0.0007434400000000, -0.0005004800000000 ] - [ 0.0001815400000000, 0.0084777900000000, 0.0110511400000000 ] - [ -0.0052528600000000, -0.1458123200000000, -0.0075495100000000 ] - [ -0.0001704800000000, 0.0000392000000000, -0.0003162200000000 ] - [ 0.0000925000000000, 0.0013512100000000, 0.0015398700000000 ] - [ -0.0092070600000000, -0.0024124900000000, -0.0208470000000000 ] - [ 0.0113236100000000, 0.0166546100000000, 0.0196279000000000 ] - [ -0.0001278000000000, 0.0006141500000000, -0.0006828100000000 ] - [ 0.0001555600000000, 0.0019761300000000, 0.0002941200000000 ] - [ -0.0004461200000000, 0.0096048900000000, -0.0013226200000000 ] - [ -0.0009747300000000, 0.0017620400000000, -0.0068909200000000 ] - [ 0.0000228500000000, 0.0001067000000000, 0.0001537500000000 ] - [ -0.0002072100000000, 0.0001493200000000, 0.0000739100000000 ] - [ 0.0000569500000000, 0.0000554200000000, 0.0001870100000000 ] - [ -0.0000247000000000, -0.0002132300000000, 0.0000577500000000 ] - [ -0.0002443900000000, -0.0000845600000000, -0.0001839100000000 ] - [ 0.0005989500000000, 0.0002156300000000, 0.0001214400000000 ] - [ 0.0001327100000000, -0.0000708000000000, 0.0002602500000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000314900000000, -0.0000623800000000, -0.0000672200000000 ] - [ 0.0001405500000000, 0.0000869900000000, -0.0000889800000000 ] - [ -0.0000618800000000, -0.0001346100000000, -0.0000191200000000 ] - [ -0.0072523200000000, -0.0053375400000000, -0.0180711200000000 ] - [ 0.0001056500000000, -0.0000873600000000, -0.0000709200000000 ] - [ 0.0000686300000000, 0.0001522300000000, 0.0000639800000000 ] - [ 0.0000689300000000, -0.0001683200000000, -0.0000981600000000 ] - [ -0.0000466200000000, 0.0001065400000000, -0.0000655900000000 ] - [ 0.0006294400000000, 0.0002515200000000, -0.0001051600000000 ] - [ 0.0002645700000000, 0.0000809000000000, -0.0000413400000000 ] - [ -0.0000481700000000, 0.0000816000000000, 0.0001753700000000 ] - [ -0.0000011600000000, 0.0001236200000000, 0.0000551200000000 ] - [ -0.0006461400000000, -0.0005063500000000, -0.0001834300000000 ] - [ -0.0001302000000000, 0.0001642800000000, 0.0000892200000000 ] - [ 0.0005263200000000, -0.0000048100000000, -0.0000494400000000 ] - [ 0.0003914400000000, -0.0000317700000000, 0.0002639300000000 ] - [ 0.0140474600000000, -0.0092695000000000, -0.0025695300000000 ] - [ -0.0000539700000000, 0.0003001700000000, -0.0000034600000000 ] - [ -0.0000944600000000, 0.0003287200000000, 0.0004106800000000 ] - [ -0.0009065400000000, -0.0005135100000000, 0.0001017300000000 ] - [ -0.0175319700000000, -0.0494080200000000, 0.0051819600000000 ] - [ -0.0001709800000000, 0.0002839500000000, 0.0002806200000000 ] - [ 0.0007449800000000, -0.0020555700000000, 0.0003597300000000 ] - [ -0.0000703500000000, 0.0006438500000000, -0.0000080800000000 ] - [ 0.0002230600000000, 0.0004587000000000, -0.0006824200000000 ] - [ -0.0006002200000000, 0.0010867500000000, 0.0002246200000000 ] - [ -0.0069086900000000, -0.0337736800000000, 0.0211078900000000 ] - [ -0.0001135200000000, 0.0002150400000000, -0.0000449000000000 ] - [ 0.0000298500000000, 0.0009261900000000, 0.0006617800000000 ] - [ 0.0002248200000000, 0.0008288700000000, -0.0000730700000000 ] - [ 0.0133204500000000, -0.0104886900000000, -0.0093494600000000 ] - [ -0.0001249400000000, 0.0000138800000000, 0.0001401600000000 ] - [ 0.0001725700000000, -0.0017084400000000, -0.0007945900000000 ] - [ -0.0000948300000000, 0.0001936400000000, 0.0001891500000000 ] - [ -0.0003568600000000, 0.0011271300000000, -0.0003882100000000 ] - [ 0.0005685100000000, 0.0017658600000000, -0.0002344200000000 ] - [ -0.0004884600000000, -0.0001605800000000, 0.0002576200000000 ] - [ -0.0000365500000000, 0.0001519900000000, -0.0001264400000000 ] - [ -0.0000649600000000, 0.0001610300000000, 0.0000689900000000 ] - [ 0.0000821900000000, 0.0008159700000000, 0.0001377200000000 ] - [ -0.0000282000000000, -0.0002400200000000, 0.0000027800000000 ] - [ -0.0000284300000000, 0.0000449800000000, -0.0000218900000000 ] - [ 0.0003293400000000, 0.0000501900000000, -0.0000328000000000 ] - [ 0.0003605100000000, 0.0000309400000000, 0.0000870400000000 ] - [ 0.0001446500000000, -0.0000297100000000, -0.0001668400000000 ] - [ -0.0000795300000000, -0.0001795900000000, -0.0000631100000000 ] - [ 0.0000356900000000, 0.0003143100000000, -0.0000608800000000 ] - [ -0.0000449800000000, -0.0001440500000000, -0.0001288400000000 ] - [ 0.0002382900000000, 0.0000157900000000, 0.0000543700000000 ] - [ 0.0001777500000000, 0.0000593500000000, 0.0000475500000000 ] - [ 0.0001639400000000, 0.0000766100000000, 0.0001010800000000 ] - [ 0.0000383800000000, 0.0004353000000000, 0.0002649400000000 ] - [ 0.0012895100000000, -0.0036138300000000, -0.0004874500000000 ] - [ -0.0006926400000000, 0.0002154800000000, -0.0008467400000000 ] - [ -0.0001371400000000, 0.0001032400000000, -0.0002263000000000 ] - [ 0.0003385300000000, 0.0006278800000000, 0.0004104300000000 ] - [ 0.0000522200000000, -0.0000589600000000, 0.0000149000000000 ] - [ -0.0002744100000000, 0.0002743900000000, -0.0004668500000000 ] - [ 0.0000201900000000, -0.0000039000000000, -0.0000751700000000 ] - [ -0.0000642000000000, -0.0001310700000000, 0.0001395200000000 ] - [ 0.0008776400000000, -0.0007766500000000, -0.0003657000000000 ] - [ -0.0002001300000000, 0.0004518700000000, -0.0002756200000000 ] - [ -0.0005588000000000, -0.0003680600000000, -0.0000048300000000 ] - [ 0.0000182500000000, 0.0000469600000000, -0.0000265400000000 ] - [ 0.0006318800000000, -0.0003192900000000, 0.0002417800000000 ] - [ 0.0000148500000000, -0.0004065300000000, -0.0002648500000000 ] - [ -0.0004540600000000, -0.0003994900000000, -0.0000838800000000 ] - [ -0.0001712500000000, 0.0000254400000000, -0.0002033300000000 ] - [ -0.0023692200000000, 0.0017752700000000, 0.0000291600000000 ] - [ -0.0001791100000000, -0.0007581200000000, 0.0006671000000000 ] - [ 0.0002170100000000, -0.0007092300000000, 0.0004336800000000 ] - [ -0.0001304000000000, -0.0085586000000000, -0.0112114800000000 ] - [ 0.0055035600000000, 0.1455962200000000, 0.0079594100000000 ] - [ 0.0003674500000000, -0.0000106800000000, 0.0003462500000000 ] - [ 0.0002357100000000, -0.0013053600000000, -0.0017083000000000 ] - [ 0.0095007500000000, 0.0024487900000000, 0.0204998000000000 ] - [ -0.0117519500000000, -0.0173460000000000, -0.0196955700000000 ] - [ -0.0000686100000000, -0.0003611000000000, 0.0007853200000000 ] - [ -0.0001520100000000, -0.0018057900000000, -0.0002281800000000 ] - [ 0.0004529000000000, -0.0097792700000000, 0.0013713400000000 ] - [ 0.0011809800000000, -0.0018677400000000, 0.0067779000000000 ] - [ 0.0001360900000000, -0.0000075900000000, -0.0002590700000000 ] - [ 0.0000026000000000, -0.0000875600000000, -0.0000213000000000 ] - [ -0.0002561800000000, -0.0001183900000000, -0.0001317300000000 ] - [ -0.0000379000000000, 0.0000189500000000, 0.0000218400000000 ] - [ 0.0001822700000000, 0.0002769100000000, 0.0002614300000000 ] - [ -0.0005638800000000, -0.0002489900000000, 0.0000224600000000 ] - [ -0.0001050400000000, 0.0001083700000000, -0.0001180600000000 ]- atom: 73 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000421200000000, -0.0000058800000000, -0.0000702900000000 ] - [ 0.0001079600000000, 0.0000424200000000, -0.0000285400000000 ] - [ -0.0001254300000000, 0.0001615300000000, 0.0001258900000000 ] - [ 0.0263358300000000, 0.0181268400000000, 0.0637769800000000 ] - [ 0.0000551700000000, -0.0002073600000000, 0.0002388400000000 ] - [ 0.0000576800000000, 0.0001092500000000, -0.0003608200000000 ] - [ -0.0006225900000000, -0.0001081000000000, 0.0003450500000000 ] - [ -0.0000451500000000, 0.0000470500000000, -0.0001655800000000 ] - [ 0.0003760600000000, 0.0000108600000000, -0.0000413800000000 ] - [ -0.0003736200000000, 0.0003315400000000, -0.0002485500000000 ] - [ 0.0001255900000000, -0.0001811900000000, 0.0001454900000000 ] - [ 0.0000042700000000, 0.0002147000000000, 0.0000080600000000 ] - [ -0.0007063200000000, 0.0001518600000000, 0.0000834800000000 ] - [ 0.0000047400000000, 0.0001342700000000, 0.0001309400000000 ] - [ 0.0003002600000000, -0.0000409400000000, 0.0001291900000000 ] - [ -0.0003287900000000, 0.0004069400000000, -0.0003160200000000 ] - [ 0.0000489900000000, 0.0025341000000000, 0.0104368800000000 ] - [ -0.0001302800000000, 0.0001692800000000, -0.0000819000000000 ] - [ 0.0000809800000000, -0.0007062900000000, 0.0000867500000000 ] - [ -0.0004037000000000, -0.0001007000000000, 0.0016235400000000 ] - [ -0.0004979200000000, -0.0061596300000000, 0.0109823500000000 ] - [ 0.0002154200000000, -0.0010648900000000, -0.0006601600000000 ] - [ 0.0003254100000000, 0.0000899500000000, 0.0013414600000000 ] - [ -0.0001673300000000, 0.0001837200000000, -0.0000540000000000 ] - [ 0.0000142300000000, -0.0000145000000000, -0.0001353500000000 ] - [ 0.0015767700000000, -0.0007449400000000, -0.0016039900000000 ] - [ -0.0021375400000000, -0.0201596900000000, 0.0261750700000000 ] - [ -0.0000818600000000, -0.0000971200000000, -0.0004637900000000 ] - [ 0.0002557300000000, -0.0001484200000000, 0.0002877300000000 ] - [ 0.0005186800000000, 0.0017506500000000, -0.0015698300000000 ] - [ -0.0141556600000000, 0.0098047200000000, 0.0165700800000000 ] - [ 0.0000695100000000, 0.0002547300000000, -0.0003784800000000 ] - [ 0.0007143600000000, 0.0002693100000000, 0.0009022300000000 ] - [ 0.0002447900000000, -0.0004657200000000, -0.0001608700000000 ] - [ 0.0000360100000000, 0.0002546500000000, 0.0000647000000000 ] - [ -0.0004311400000000, -0.0013689700000000, -0.0002612800000000 ] - [ -0.0000394800000000, -0.0002831200000000, 0.0020068800000000 ] - [ 0.0001424900000000, -0.0001394900000000, -0.0003237100000000 ] - [ 0.0000636400000000, -0.0000628300000000, 0.0001140300000000 ] - [ -0.0009852100000000, 0.0006316500000000, -0.0005303100000000 ] - [ 0.0001957500000000, 0.0000013400000000, -0.0000029900000000 ] - [ -0.0000769600000000, -0.0000012000000000, -0.0000664100000000 ] - [ 0.0003055000000000, -0.0001126000000000, 0.0001017700000000 ] - [ 0.0000748300000000, -0.0000695900000000, -0.0002258200000000 ] - [ -0.0000581600000000, 0.0001549600000000, -0.0001018600000000 ] - [ -0.0000339100000000, -0.0000744600000000, 0.0000297700000000 ] - [ -0.0000409400000000, 0.0000788600000000, -0.0000537200000000 ] - [ -0.0000290500000000, -0.0000541200000000, -0.0000040300000000 ] - [ 0.0001249400000000, -0.0000471500000000, 0.0001269900000000 ] - [ 0.0000513800000000, 0.0003146000000000, -0.0004652200000000 ] - [ 0.0000370600000000, 0.0000951000000000, 0.0002999500000000 ] - [ 0.0007287900000000, 0.0000482200000000, -0.0003432200000000 ] - [ 0.0006818500000000, 0.0004144300000000, 0.0071103500000000 ] - [ 0.0000388800000000, 0.0005566100000000, -0.0002769300000000 ] - [ 0.0000795000000000, -0.0000054000000000, -0.0000442700000000 ] - [ -0.0000065600000000, -0.0006009300000000, 0.0009438600000000 ] - [ 0.0001576600000000, -0.0000893800000000, -0.0002209500000000 ] - [ 0.0003995000000000, 0.0002440200000000, 0.0007606900000000 ] - [ -0.0002257300000000, 0.0003441600000000, 0.0005583500000000 ] - [ 0.0000028100000000, -0.0001314600000000, -0.0000511400000000 ] - [ -0.0004338800000000, 0.0002749800000000, -0.0001501800000000 ] - [ 0.0002681000000000, -0.0001701700000000, 0.0004938100000000 ] - [ -0.0001882600000000, -0.0001272600000000, -0.0006671000000000 ] - [ 0.0001916800000000, 0.0002102400000000, 0.0004243200000000 ] - [ 0.0002251200000000, -0.0001832000000000, -0.0005072000000000 ] - [ -0.0002257100000000, 0.0001541000000000, -0.0000388600000000 ] - [ -0.0002696200000000, 0.0001008200000000, -0.0006289500000000 ] - [ -0.0001097000000000, -0.0002794800000000, 0.0009315600000000 ] - [ 0.0046927100000000, -0.0016484900000000, 0.0012195500000000 ] - [ -0.0002425100000000, -0.0004232300000000, 0.0002507400000000 ] - [ 0.0002779600000000, 0.0000392100000000, 0.0000935100000000 ] - [ -0.0080497600000000, 0.0073413500000000, 0.0157931800000000 ] - [ -0.0127156100000000, -0.0073366000000000, -0.1737698200000000 ] - [ 0.0001407800000000, 0.0003463100000000, 0.0010560900000000 ] - [ -0.0022214500000000, 0.0047853300000000, 0.0005180100000000 ] - [ 0.0012635800000000, -0.0092481800000000, 0.0201729300000000 ] - [ -0.0001267900000000, 0.0076254000000000, -0.0075188300000000 ] - [ -0.0000075900000000, -0.0000856000000000, 0.0005842800000000 ] - [ -0.0003400500000000, -0.0002949300000000, -0.0011164800000000 ] - [ -0.0017736000000000, -0.0012615600000000, 0.0069154000000000 ] - [ 0.0077799500000000, -0.0045471600000000, -0.0007814400000000 ] - [ -0.0001692800000000, -0.0000281800000000, 0.0002568600000000 ] - [ -0.0003674600000000, -0.0000259200000000, 0.0004741200000000 ] - [ 0.0000365100000000, 0.0000971800000000, -0.0000365700000000 ] - [ 0.0000240600000000, -0.0001134100000000, 0.0005046600000000 ] - [ -0.0004086300000000, 0.0001907700000000, -0.0008711400000000 ] - [ -0.0002552300000000, -0.0002243200000000, -0.0001829800000000 ] - [ 0.0001128500000000, 0.0001457600000000, 0.0003845700000000 ]- atom: 73 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000969500000000, -0.0000141400000000, -0.0000653200000000 ] - [ 0.0000313100000000, -0.0000218400000000, -0.0001078600000000 ] - [ -0.0001317600000000, 0.0000098300000000, -0.0000572800000000 ] - [ -0.0276634300000000, -0.0191088600000000, -0.0659344100000000 ] - [ 0.0000667700000000, -0.0001314500000000, -0.0002633300000000 ] - [ 0.0000638700000000, 0.0002291300000000, 0.0003324400000000 ] - [ 0.0004385100000000, -0.0000587400000000, -0.0003328600000000 ] - [ -0.0001324500000000, 0.0001200200000000, 0.0001764500000000 ] - [ -0.0002356200000000, -0.0005854600000000, -0.0000785800000000 ] - [ 0.0005099500000000, 0.0002440500000000, 0.0001263900000000 ] - [ -0.0000752100000000, -0.0000895200000000, 0.0001038500000000 ] - [ 0.0000452400000000, 0.0000558800000000, 0.0002395700000000 ] - [ 0.0005888700000000, -0.0003216100000000, 0.0002167700000000 ] - [ -0.0001123600000000, 0.0000397700000000, 0.0001715300000000 ] - [ -0.0002262500000000, -0.0003170800000000, 0.0000444600000000 ] - [ 0.0004016900000000, -0.0000481100000000, 0.0004864100000000 ] - [ -0.0001111200000000, -0.0029236800000000, -0.0103046100000000 ] - [ 0.0001042600000000, 0.0002366000000000, 0.0002180900000000 ] - [ 0.0000538900000000, 0.0006931400000000, 0.0003958400000000 ] - [ 0.0005467600000000, 0.0001046700000000, -0.0011700800000000 ] - [ 0.0003708500000000, 0.0063152400000000, -0.0108622300000000 ] - [ -0.0003866700000000, 0.0010438200000000, 0.0008054700000000 ] - [ -0.0007355700000000, -0.0004923600000000, -0.0012935900000000 ] - [ -0.0002277300000000, 0.0002221000000000, 0.0000899000000000 ] - [ -0.0000435500000000, -0.0001436800000000, -0.0001357800000000 ] - [ -0.0016108100000000, 0.0009014100000000, 0.0013339000000000 ] - [ 0.0018866500000000, 0.0195516200000000, -0.0260428900000000 ] - [ -0.0000832300000000, 0.0003259700000000, 0.0005244300000000 ] - [ -0.0001243400000000, 0.0002357900000000, -0.0005987000000000 ] - [ -0.0003974000000000, -0.0018496400000000, 0.0012596000000000 ] - [ 0.0140046400000000, -0.0098953200000000, -0.0165685300000000 ] - [ -0.0001318000000000, -0.0000840300000000, 0.0004124400000000 ] - [ -0.0007345700000000, -0.0000570900000000, -0.0010200900000000 ] - [ -0.0002522400000000, 0.0002466900000000, 0.0000360700000000 ] - [ 0.0000599600000000, 0.0000132000000000, 0.0000605600000000 ] - [ 0.0005221700000000, 0.0010833900000000, 0.0004049300000000 ] - [ -0.0000224500000000, 0.0002765900000000, -0.0022280900000000 ] - [ -0.0002108900000000, 0.0001448700000000, 0.0000981000000000 ] - [ -0.0001990700000000, 0.0000009500000000, -0.0001799700000000 ] - [ 0.0008305200000000, -0.0005587600000000, 0.0004734700000000 ] - [ -0.0002707300000000, -0.0000766900000000, -0.0000327700000000 ] - [ -0.0000005000000000, 0.0000774700000000, 0.0000331600000000 ] - [ 0.0002012400000000, 0.0000412300000000, -0.0000949200000000 ] - [ 0.0004282700000000, 0.0001399900000000, 0.0002296700000000 ] - [ 0.0000645000000000, -0.0000574100000000, -0.0000539000000000 ] - [ 0.0000392500000000, -0.0000235500000000, -0.0001851800000000 ] - [ 0.0001306900000000, 0.0003348300000000, -0.0000741900000000 ] - [ 0.0001171000000000, -0.0003606900000000, -0.0001247200000000 ] - [ 0.0001610800000000, -0.0001566400000000, -0.0002021900000000 ] - [ 0.0002327100000000, -0.0001086900000000, 0.0003861000000000 ] - [ 0.0002781400000000, -0.0001171200000000, -0.0001382800000000 ] - [ -0.0004014000000000, -0.0000304200000000, 0.0005021600000000 ] - [ -0.0008410600000000, -0.0002947900000000, -0.0064416300000000 ] - [ -0.0003067400000000, -0.0004741000000000, 0.0004955100000000 ] - [ -0.0001964200000000, -0.0001068200000000, 0.0000476500000000 ] - [ -0.0001044000000000, 0.0007118100000000, -0.0009323800000000 ] - [ -0.0000179000000000, 0.0000226400000000, 0.0002033300000000 ] - [ -0.0002569800000000, -0.0001828900000000, -0.0007761200000000 ] - [ 0.0001201900000000, -0.0000382200000000, -0.0003248200000000 ] - [ -0.0001063200000000, -0.0001737400000000, 0.0002845600000000 ] - [ 0.0006011900000000, -0.0005850000000000, -0.0000643800000000 ] - [ -0.0000952700000000, 0.0004772800000000, -0.0007066600000000 ] - [ 0.0001459500000000, -0.0000746900000000, 0.0005227200000000 ] - [ -0.0002288200000000, -0.0000064700000000, -0.0005691200000000 ] - [ -0.0005652700000000, 0.0004011900000000, 0.0001276100000000 ] - [ -0.0001179100000000, -0.0003695400000000, -0.0003413100000000 ] - [ 0.0000755500000000, 0.0000551000000000, 0.0005923600000000 ] - [ -0.0000861500000000, 0.0001209400000000, -0.0009562000000000 ] - [ -0.0045977400000000, 0.0017853200000000, -0.0013226400000000 ] - [ 0.0003036800000000, 0.0002741700000000, -0.0003727700000000 ] - [ -0.0002468300000000, -0.0000042600000000, -0.0001603100000000 ] - [ 0.0081328600000000, -0.0075675500000000, -0.0162952000000000 ] - [ 0.0142613800000000, 0.0082126800000000, 0.1770204200000000 ] - [ 0.0000626900000000, -0.0003202400000000, -0.0010160500000000 ] - [ 0.0025344900000000, -0.0047058400000000, -0.0006863600000000 ] - [ -0.0010443700000000, 0.0093629300000000, -0.0209755800000000 ] - [ -0.0001158200000000, -0.0078980600000000, 0.0074727700000000 ] - [ -0.0001866500000000, 0.0003443300000000, -0.0004749200000000 ] - [ 0.0003516200000000, 0.0004538000000000, 0.0011799800000000 ] - [ 0.0017313200000000, 0.0010701100000000, -0.0070095000000000 ] - [ -0.0076569300000000, 0.0043983300000000, 0.0005427800000000 ] - [ 0.0003283600000000, 0.0001256200000000, -0.0003571200000000 ] - [ 0.0001709900000000, 0.0000856700000000, -0.0004137200000000 ] - [ -0.0002397200000000, -0.0001612200000000, 0.0000890900000000 ] - [ -0.0000900900000000, -0.0000835300000000, -0.0004257500000000 ] - [ 0.0003399800000000, 0.0000067600000000, 0.0009490300000000 ] - [ 0.0002745000000000, 0.0001899100000000, 0.0003228800000000 ] - [ -0.0000880700000000, -0.0001073200000000, -0.0002395600000000 ]- atom: 75 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0001318300000000, -0.0000281300000000, -0.0001233800000000 ] - [ 0.0002686000000000, -0.0000233900000000, -0.0000237100000000 ] - [ 0.0057736700000000, -0.0187333900000000, -0.0077470700000000 ] - [ -0.0002237500000000, -0.0001102000000000, 0.0001230700000000 ] - [ -0.0001301200000000, -0.0002647800000000, 0.0004570000000000 ] - [ -0.0000802000000000, 0.0002312200000000, 0.0000050300000000 ] - [ -0.0004463200000000, 0.0001001800000000, -0.0001632200000000 ] - [ -0.0001541100000000, 0.0000983200000000, 0.0001417100000000 ] - [ -0.0000344500000000, -0.0003663200000000, -0.0000103500000000 ] - [ -0.0008154300000000, 0.0012382500000000, -0.0001205600000000 ] - [ -0.0000021900000000, -0.0002122800000000, 0.0001562300000000 ] - [ 0.0000531900000000, 0.0002405400000000, 0.0000445500000000 ] - [ -0.0002176700000000, 0.0001124700000000, 0.0001364000000000 ] - [ 0.0000126600000000, -0.0000032400000000, 0.0002718200000000 ] - [ -0.0005999100000000, -0.0002613700000000, 0.0007450000000000 ] - [ -0.0003004300000000, 0.0003850500000000, -0.0000126900000000 ] - [ 0.0001350100000000, -0.0001735400000000, 0.0002306000000000 ] - [ 0.0023511400000000, -0.0003977200000000, 0.0004963800000000 ] - [ 0.0532935100000000, 0.0068152600000000, -0.0194311900000000 ] - [ 0.0001683800000000, 0.0000060800000000, 0.0002117200000000 ] - [ -0.0000112800000000, -0.0001266700000000, 0.0002127800000000 ] - [ 0.0128947700000000, -0.0121227600000000, 0.0160526300000000 ] - [ -0.0001904500000000, -0.0001133100000000, 0.0000188600000000 ] - [ -0.0009710600000000, 0.0002680400000000, 0.0001267500000000 ] - [ 0.0005995300000000, -0.0005419700000000, -0.0009787800000000 ] - [ -0.0000142300000000, 0.0001477000000000, -0.0000289500000000 ] - [ 0.0001143300000000, 0.0000649700000000, 0.0003279400000000 ] - [ -0.0007092100000000, 0.0000011400000000, 0.0001959200000000 ] - [ 0.0075445700000000, -0.0021707200000000, 0.0107438100000000 ] - [ 0.0002009400000000, -0.0000076900000000, -0.0001440100000000 ] - [ 0.0004750500000000, -0.0007407200000000, -0.0006307100000000 ] - [ 0.0003896800000000, 0.0001989900000000, -0.0009520100000000 ] - [ 0.0000883300000000, -0.0000564500000000, -0.0001016500000000 ] - [ 0.0286090100000000, 0.0165826800000000, -0.0069165100000000 ] - [ -0.0008421400000000, 0.0003261200000000, -0.0006570700000000 ] - [ 0.0001208600000000, -0.0000132500000000, 0.0001132000000000 ] - [ -0.0000040600000000, -0.0000041500000000, -0.0001495600000000 ] - [ -0.0018973600000000, -0.0007750200000000, 0.0000609000000000 ] - [ 0.0015201400000000, 0.0005147700000000, 0.0008786600000000 ] - [ -0.0001103200000000, 0.0000108900000000, -0.0000707900000000 ] - [ -0.0003788000000000, -0.0000998200000000, 0.0000583800000000 ] - [ -0.0001371100000000, 0.0000385100000000, -0.0000168800000000 ] - [ -0.0001200500000000, 0.0001461100000000, -0.0002025900000000 ] - [ -0.0007258100000000, -0.0004479400000000, -0.0003187400000000 ] - [ -0.0001116400000000, 0.0001235000000000, 0.0000089800000000 ] - [ -0.0009606200000000, -0.0007696100000000, 0.0002332600000000 ] - [ 0.0000126300000000, 0.0002320200000000, -0.0000764600000000 ] - [ -0.0000729200000000, -0.0002460500000000, -0.0000666600000000 ] - [ 0.0000304700000000, -0.0001970200000000, -0.0001519800000000 ] - [ -0.0000004100000000, 0.0001035600000000, -0.0000500300000000 ] - [ 0.0000774600000000, -0.0010199100000000, -0.0005121700000000 ] - [ 0.0001651400000000, 0.0000335400000000, 0.0000613400000000 ] - [ 0.0042446100000000, -0.0016978400000000, 0.0014103800000000 ] - [ -0.0003873400000000, -0.0004100000000000, -0.0001469800000000 ] - [ -0.0001904000000000, -0.0002399300000000, -0.0000344200000000 ] - [ -0.0004128900000000, 0.0002352200000000, -0.0001427300000000 ] - [ -0.0005038100000000, 0.0002764200000000, 0.0004224700000000 ] - [ -0.0000548600000000, -0.0000118300000000, -0.0000785100000000 ] - [ -0.0001298600000000, 0.0001209800000000, 0.0000691200000000 ] - [ -0.0000682700000000, -0.0001612000000000, 0.0001317300000000 ] - [ 0.0028122600000000, -0.0000812900000000, 0.0024456700000000 ] - [ 0.0002357000000000, 0.0002303600000000, -0.0005731800000000 ] - [ 0.0000990600000000, -0.0001257500000000, -0.0000206000000000 ] - [ 0.0000482300000000, 0.0001269300000000, -0.0000596400000000 ] - [ -0.0002460800000000, 0.0003698300000000, 0.0000802600000000 ] - [ -0.0003089600000000, -0.0001513300000000, -0.0001914900000000 ] - [ 0.0007969400000000, 0.0009668000000000, -0.0002446800000000 ] - [ 0.0000311300000000, -0.0002864000000000, 0.0000319800000000 ] - [ 0.0011577600000000, -0.0019226100000000, -0.0002400100000000 ] - [ 0.0002459100000000, -0.0001349900000000, -0.0007227800000000 ] - [ -0.0037039000000000, 0.0214666300000000, 0.0093600200000000 ] - [ -0.0000409300000000, -0.0002157300000000, -0.0001384400000000 ] - [ -0.0011597300000000, -0.0000872700000000, -0.0023593600000000 ] - [ 0.0002670500000000, 0.0093707000000000, 0.0011544800000000 ] - [ -0.1446546100000000, 0.0063754400000000, 0.0036221000000000 ] - [ 0.0000832500000000, 0.0002214500000000, 0.0001822200000000 ] - [ -0.0002062800000000, -0.0003533400000000, -0.0000014400000000 ] - [ 0.0093985400000000, 0.0010614300000000, 0.0003131400000000 ] - [ 0.0082819600000000, -0.0086391300000000, 0.0010480800000000 ] - [ 0.0000901300000000, -0.0002316900000000, 0.0000918700000000 ] - [ 0.0003691100000000, 0.0002427500000000, 0.0005570400000000 ] - [ 0.0154510000000000, -0.0148828000000000, -0.0086799900000000 ] - [ 0.0003323400000000, 0.0007145400000000, 0.0001683500000000 ] - [ 0.0001756400000000, -0.0001420500000000, 0.0002592300000000 ] - [ 0.0000539200000000, -0.0002436600000000, -0.0001538800000000 ] - [ 0.0006580500000000, 0.0006255600000000, 0.0003176100000000 ] - [ 0.0005065100000000, -0.0000564900000000, -0.0002790100000000 ] - [ 0.0019599700000000, -0.0003222400000000, -0.0000537800000000 ]- atom: 75 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000110100000000, 0.0000096100000000, -0.0000145100000000 ] - [ -0.0001273500000000, 0.0000425000000000, -0.0001146300000000 ] - [ -0.0059558300000000, 0.0189815300000000, 0.0078535200000000 ] - [ -0.0000352900000000, -0.0000623600000000, -0.0000544300000000 ] - [ 0.0002495900000000, -0.0000702800000000, -0.0004819000000000 ] - [ 0.0002013500000000, 0.0001031300000000, -0.0000353800000000 ] - [ 0.0002660800000000, -0.0002665500000000, 0.0001756500000000 ] - [ -0.0000247600000000, 0.0000713400000000, -0.0001251900000000 ] - [ 0.0001738600000000, -0.0002083300000000, -0.0001107600000000 ] - [ 0.0009546500000000, -0.0006561900000000, -0.0000015200000000 ] - [ 0.0000538900000000, -0.0000609900000000, 0.0000919200000000 ] - [ -0.0000007700000000, 0.0000322100000000, 0.0002029300000000 ] - [ 0.0001177200000000, -0.0002881800000000, 0.0001706500000000 ] - [ -0.0001212800000000, 0.0001738300000000, 0.0000330100000000 ] - [ 0.0006669400000000, -0.0000982700000000, -0.0005679100000000 ] - [ 0.0003752800000000, -0.0000255100000000, 0.0001811200000000 ] - [ -0.0001648700000000, -0.0002318200000000, -0.0000978200000000 ] - [ -0.0023589500000000, 0.0008166100000000, -0.0003455800000000 ] - [ -0.0509873700000000, -0.0059584000000000, 0.0190698700000000 ] - [ -0.0000389700000000, -0.0000031300000000, 0.0002768000000000 ] - [ -0.0001607400000000, 0.0001505400000000, -0.0000673100000000 ] - [ -0.0131163300000000, 0.0120150700000000, -0.0157152400000000 ] - [ -0.0002079300000000, -0.0002893900000000, 0.0000170700000000 ] - [ 0.0005648100000000, 0.0001248900000000, -0.0000924900000000 ] - [ -0.0006212100000000, 0.0003597600000000, 0.0007119100000000 ] - [ -0.0000164500000000, 0.0000132500000000, -0.0002386700000000 ] - [ -0.0002795700000000, -0.0002904800000000, -0.0002670500000000 ] - [ 0.0005461200000000, 0.0002187300000000, -0.0001305500000000 ] - [ -0.0074064600000000, 0.0022895300000000, -0.0111706400000000 ] - [ -0.0000685800000000, -0.0000857900000000, -0.0001668300000000 ] - [ -0.0005350400000000, 0.0005708500000000, 0.0006744600000000 ] - [ -0.0004346500000000, -0.0000367600000000, 0.0009981200000000 ] - [ -0.0000921200000000, 0.0002692000000000, -0.0000184400000000 ] - [ -0.0301628900000000, -0.0175965000000000, 0.0072604300000000 ] - [ 0.0009452000000000, -0.0000604200000000, 0.0007889900000000 ] - [ -0.0000222900000000, -0.0002515500000000, 0.0000163800000000 ] - [ -0.0000643500000000, -0.0000020000000000, -0.0000769900000000 ] - [ 0.0018552000000000, 0.0007989200000000, -0.0002894500000000 ] - [ -0.0017034400000000, -0.0005534800000000, -0.0009628600000000 ] - [ -0.0000237200000000, 0.0000483400000000, 0.0000086300000000 ] - [ 0.0003034200000000, 0.0000264200000000, -0.0000894500000000 ] - [ 0.0000589700000000, 0.0000363500000000, -0.0000130800000000 ] - [ 0.0006252700000000, -0.0002173300000000, 0.0002069100000000 ] - [ 0.0012312500000000, 0.0005186100000000, 0.0003212200000000 ] - [ 0.0001132700000000, -0.0000250900000000, -0.0001609400000000 ] - [ 0.0009667100000000, 0.0006731100000000, -0.0003881700000000 ] - [ 0.0000707300000000, 0.0001801300000000, -0.0000494100000000 ] - [ 0.0001563100000000, -0.0001644000000000, -0.0000588400000000 ] - [ 0.0002507400000000, -0.0000109800000000, 0.0000740700000000 ] - [ 0.0002832500000000, 0.0001036400000000, -0.0000267100000000 ] - [ 0.0002405600000000, 0.0009974400000000, 0.0006761900000000 ] - [ 0.0001523700000000, -0.0000089300000000, 0.0001005500000000 ] - [ -0.0044841600000000, 0.0015706000000000, -0.0012057100000000 ] - [ 0.0001148800000000, 0.0004817700000000, 0.0003753100000000 ] - [ 0.0000801700000000, 0.0001389800000000, 0.0000436500000000 ] - [ 0.0003012800000000, -0.0001273600000000, 0.0001461100000000 ] - [ 0.0006303300000000, -0.0003488200000000, -0.0004351400000000 ] - [ 0.0001920300000000, 0.0000759900000000, 0.0000600700000000 ] - [ 0.0000242900000000, 0.0001861200000000, 0.0001634300000000 ] - [ -0.0000375100000000, -0.0001454800000000, 0.0001012000000000 ] - [ -0.0026646100000000, -0.0002244900000000, -0.0026830600000000 ] - [ -0.0000661400000000, 0.0000837500000000, 0.0003604200000000 ] - [ -0.0001385700000000, -0.0000755700000000, -0.0001252600000000 ] - [ -0.0000879600000000, 0.0000727200000000, -0.0000871500000000 ] - [ -0.0000928700000000, -0.0001501600000000, -0.0004606000000000 ] - [ -0.0000278200000000, -0.0000680800000000, -0.0001873000000000 ] - [ -0.0009763100000000, -0.0008029400000000, 0.0002106300000000 ] - [ -0.0002191200000000, 0.0001303700000000, -0.0000645100000000 ] - [ -0.0010974400000000, 0.0020424600000000, 0.0001099000000000 ] - [ -0.0001740300000000, -0.0000115500000000, 0.0005914900000000 ] - [ 0.0038428100000000, -0.0212690600000000, -0.0094236800000000 ] - [ 0.0000680500000000, 0.0001814200000000, 0.0000693600000000 ] - [ 0.0013666000000000, 0.0000509200000000, 0.0023907200000000 ] - [ -0.0000797100000000, -0.0093461000000000, -0.0011698100000000 ] - [ 0.1446686500000000, -0.0067659400000000, -0.0036709800000000 ] - [ 0.0002362100000000, -0.0002797300000000, -0.0003740500000000 ] - [ 0.0000122700000000, 0.0000975800000000, 0.0001050300000000 ] - [ -0.0096103000000000, -0.0007830100000000, -0.0002013900000000 ] - [ -0.0083338700000000, 0.0088856600000000, -0.0009906400000000 ] - [ -0.0000772800000000, 0.0000706500000000, -0.0000252200000000 ] - [ -0.0002122200000000, -0.0003439500000000, -0.0006658600000000 ] - [ -0.0157069100000000, 0.0151484500000000, 0.0087730100000000 ] - [ -0.0005355200000000, -0.0006531600000000, -0.0001155900000000 ] - [ -0.0003774400000000, 0.0000801900000000, -0.0002037800000000 ] - [ -0.0001175200000000, 0.0000462100000000, 0.0002272800000000 ] - [ -0.0007219600000000, -0.0004322800000000, -0.0002362700000000 ] - [ -0.0004795100000000, 0.0000213000000000, 0.0004177300000000 ] - [ -0.0019221400000000, 0.0003601100000000, 0.0002030200000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000579500000000, -0.0000184500000000, -0.0001022400000000 ] - [ 0.0000112100000000, 0.0001068800000000, -0.0000396300000000 ] - [ -0.0188587800000000, 0.0650832200000000, 0.0277403800000000 ] - [ -0.0001618500000000, -0.0000442200000000, 0.0000491500000000 ] - [ -0.0000720400000000, -0.0001220900000000, 0.0002580100000000 ] - [ 0.0001013400000000, 0.0002850300000000, 0.0001237500000000 ] - [ 0.0006780400000000, -0.0002488800000000, 0.0000024100000000 ] - [ -0.0000553300000000, 0.0001496800000000, 0.0000698000000000 ] - [ 0.0001265200000000, -0.0000119800000000, -0.0000759000000000 ] - [ 0.0002291300000000, 0.0007482000000000, 0.0001288800000000 ] - [ 0.0000669000000000, -0.0003485500000000, 0.0001360600000000 ] - [ -0.0000568800000000, -0.0002091400000000, 0.0001999700000000 ] - [ 0.0010446200000000, -0.0008708000000000, 0.0004505300000000 ] - [ -0.0001295400000000, 0.0000678700000000, 0.0001301400000000 ] - [ -0.0002970700000000, -0.0001821100000000, 0.0004336500000000 ] - [ 0.0005042700000000, 0.0000055500000000, 0.0003019800000000 ] - [ -0.0000552600000000, -0.0003923700000000, -0.0003610800000000 ] - [ 0.0000765700000000, 0.0014880700000000, 0.0008568300000000 ] - [ 0.0079870000000000, 0.0119659300000000, -0.0004080500000000 ] - [ 0.0001085700000000, 0.0000660300000000, 0.0002021100000000 ] - [ -0.0001059700000000, 0.0003716100000000, -0.0004902300000000 ] - [ -0.0119791900000000, 0.0214303100000000, -0.0165807100000000 ] - [ -0.0001213500000000, -0.0005534600000000, 0.0000296300000000 ] - [ -0.0020806700000000, -0.0012164100000000, 0.0005610000000000 ] - [ -0.0001418500000000, 0.0013434000000000, -0.0007343800000000 ] - [ 0.0000551600000000, -0.0000583400000000, -0.0002923400000000 ] - [ -0.0003180500000000, -0.0005072500000000, -0.0003029100000000 ] - [ -0.0006793000000000, -0.0002837800000000, -0.0012549800000000 ] - [ -0.0004897000000000, 0.0092355100000000, 0.0014960500000000 ] - [ 0.0000400200000000, -0.0000455700000000, 0.0000410900000000 ] - [ -0.0003183400000000, -0.0000250000000000, -0.0004757000000000 ] - [ -0.0002100700000000, 0.0019910500000000, -0.0002636900000000 ] - [ -0.0001495200000000, 0.0005102700000000, -0.0001685600000000 ] - [ 0.0176945400000000, 0.0224316200000000, -0.0019592500000000 ] - [ 0.0009025500000000, -0.0013354200000000, 0.0016222100000000 ] - [ -0.0001863300000000, -0.0005772400000000, -0.0000245500000000 ] - [ -0.0001312600000000, -0.0001908800000000, -0.0000716900000000 ] - [ 0.0009823600000000, -0.0005726600000000, -0.0006654900000000 ] - [ -0.0006254300000000, 0.0015669000000000, 0.0004664900000000 ] - [ -0.0001985400000000, 0.0000447200000000, -0.0001110100000000 ] - [ -0.0000216800000000, -0.0001753300000000, -0.0000214700000000 ] - [ 0.0001159300000000, 0.0000471200000000, -0.0001012100000000 ] - [ 0.0004076200000000, -0.0000143900000000, 0.0001225300000000 ] - [ 0.0001280500000000, 0.0000512300000000, 0.0000043900000000 ] - [ -0.0000576600000000, 0.0002258600000000, -0.0000945200000000 ] - [ -0.0001909500000000, -0.0000858700000000, -0.0000778100000000 ] - [ 0.0000111000000000, -0.0000070500000000, -0.0000265400000000 ] - [ 0.0002591900000000, -0.0006822500000000, -0.0001308100000000 ] - [ 0.0001071600000000, -0.0001884500000000, -0.0000312400000000 ] - [ 0.0002633000000000, -0.0001059000000000, 0.0001495900000000 ] - [ -0.0002957300000000, -0.0004053400000000, 0.0002252300000000 ] - [ 0.0002707200000000, -0.0002389100000000, 0.0001989300000000 ] - [ -0.0014574800000000, 0.0082523900000000, 0.0008564000000000 ] - [ -0.0003273000000000, 0.0008434400000000, 0.0000852700000000 ] - [ -0.0001279700000000, -0.0001116800000000, 0.0001296400000000 ] - [ -0.0000894700000000, -0.0004950300000000, 0.0006174500000000 ] - [ 0.0006419900000000, 0.0008877600000000, 0.0000619600000000 ] - [ -0.0000478200000000, 0.0002515700000000, -0.0001194800000000 ] - [ -0.0000077800000000, 0.0000534900000000, 0.0000190800000000 ] - [ -0.0000211200000000, -0.0001202500000000, 0.0000598900000000 ] - [ 0.0001552400000000, -0.0014106000000000, 0.0010989900000000 ] - [ 0.0001354200000000, -0.0004859900000000, -0.0001960700000000 ] - [ -0.0002530500000000, 0.0004034800000000, -0.0001495500000000 ] - [ -0.0001016500000000, 0.0006229700000000, 0.0001342800000000 ] - [ -0.0005330300000000, 0.0011353800000000, -0.0001735900000000 ] - [ -0.0001848000000000, 0.0004330200000000, -0.0000952600000000 ] - [ 0.0003171100000000, 0.0004994100000000, -0.0002993300000000 ] - [ -0.0000890000000000, 0.0002494100000000, -0.0002691000000000 ] - [ -0.0047836800000000, 0.0008642000000000, -0.0023512200000000 ] - [ 0.0002807200000000, -0.0003755100000000, -0.0003854300000000 ] - [ 0.0091412200000000, 0.0208146000000000, 0.0011518600000000 ] - [ -0.0001893300000000, 0.0003199500000000, 0.0001000500000000 ] - [ 0.0019476500000000, 0.0013013900000000, 0.0047477300000000 ] - [ 0.0059008500000000, -0.0023466600000000, 0.0093581600000000 ] - [ 0.0071282800000000, -0.1773477300000000, -0.0167904100000000 ] - [ -0.0000918000000000, -0.0010121200000000, -0.0004273500000000 ] - [ 0.0001029600000000, 0.0008676400000000, 0.0000271100000000 ] - [ 0.0013276500000000, 0.0071946900000000, -0.0013116500000000 ] - [ -0.0066103600000000, 0.0151356300000000, -0.0074341800000000 ] - [ 0.0000276200000000, 0.0004116200000000, -0.0001824400000000 ] - [ 0.0003260300000000, -0.0003012100000000, 0.0000924800000000 ] - [ -0.0066389600000000, -0.0049025100000000, 0.0003679100000000 ] - [ 0.0001777000000000, 0.0004984600000000, 0.0000806300000000 ] - [ -0.0003614700000000, 0.0001318700000000, 0.0000193600000000 ] - [ -0.0001905400000000, -0.0001998800000000, 0.0001532800000000 ] - [ -0.0000374800000000, 0.0002441800000000, 0.0002941200000000 ] - [ -0.0000401400000000, -0.0006699000000000, -0.0001031100000000 ] - [ 0.0003323600000000, -0.0011354500000000, -0.0003022800000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000837400000000, -0.0000002800000000, -0.0000333300000000 ] - [ 0.0001286300000000, -0.0000874200000000, -0.0000985800000000 ] - [ 0.0178054900000000, -0.0627221200000000, -0.0265994700000000 ] - [ -0.0000963100000000, -0.0001280000000000, 0.0000209600000000 ] - [ 0.0001942300000000, -0.0002129100000000, -0.0002873000000000 ] - [ 0.0000200800000000, 0.0000491700000000, -0.0001523700000000 ] - [ -0.0008649800000000, 0.0000831500000000, 0.0000089600000000 ] - [ -0.0001235900000000, 0.0000175300000000, -0.0000582500000000 ] - [ 0.0000131800000000, -0.0005650300000000, -0.0000455000000000 ] - [ -0.0000908300000000, -0.0001733200000000, -0.0002516300000000 ] - [ -0.0000153000000000, 0.0000768600000000, 0.0001112300000000 ] - [ 0.0001087200000000, 0.0004838800000000, 0.0000479300000000 ] - [ -0.0011499700000000, 0.0006988900000000, -0.0001450400000000 ] - [ 0.0000187900000000, 0.0001031700000000, 0.0001729000000000 ] - [ 0.0003727900000000, -0.0001766100000000, -0.0002673000000000 ] - [ -0.0004364500000000, 0.0003555100000000, -0.0001344400000000 ] - [ 0.0000266900000000, -0.0000119000000000, 0.0004969700000000 ] - [ -0.0001144100000000, -0.0010919400000000, -0.0007106900000000 ] - [ -0.0077056900000000, -0.0119457000000000, 0.0008446800000000 ] - [ 0.0000215800000000, -0.0000630300000000, 0.0002862600000000 ] - [ -0.0000646600000000, -0.0003467800000000, 0.0006426600000000 ] - [ 0.0119136500000000, -0.0214107500000000, 0.0168762500000000 ] - [ -0.0002783500000000, 0.0001511800000000, 0.0000066200000000 ] - [ 0.0016701200000000, 0.0016181100000000, -0.0005171300000000 ] - [ 0.0001092900000000, -0.0014722100000000, 0.0004529800000000 ] - [ -0.0000863200000000, 0.0002199800000000, 0.0000258500000000 ] - [ 0.0001525000000000, 0.0002824500000000, 0.0003639700000000 ] - [ 0.0005258100000000, 0.0004944300000000, 0.0013364400000000 ] - [ 0.0006333800000000, -0.0091381500000000, -0.0017872200000000 ] - [ 0.0000925500000000, -0.0000464500000000, -0.0003540000000000 ] - [ 0.0002627000000000, -0.0001492400000000, 0.0005181200000000 ] - [ 0.0001551000000000, -0.0018192500000000, 0.0002953300000000 ] - [ 0.0001454900000000, -0.0002959200000000, 0.0000476700000000 ] - [ -0.0180220300000000, -0.0227004800000000, 0.0018995800000000 ] - [ -0.0008102000000000, 0.0016042800000000, -0.0014915400000000 ] - [ 0.0002865300000000, 0.0003136900000000, 0.0001558700000000 ] - [ 0.0000629400000000, 0.0001856400000000, -0.0001557000000000 ] - [ -0.0010705800000000, 0.0005672100000000, 0.0004440700000000 ] - [ 0.0004857000000000, -0.0016346700000000, -0.0005186800000000 ] - [ 0.0000633200000000, 0.0000149200000000, 0.0000495200000000 ] - [ -0.0000548100000000, 0.0001032600000000, -0.0000088600000000 ] - [ -0.0001930000000000, 0.0000263200000000, 0.0000702600000000 ] - [ 0.0000969900000000, -0.0000566100000000, -0.0001194300000000 ] - [ 0.0003799900000000, 0.0000222900000000, -0.0000005600000000 ] - [ 0.0000612400000000, -0.0001301100000000, -0.0000605100000000 ] - [ 0.0001945500000000, -0.0000105200000000, -0.0000759900000000 ] - [ 0.0000724900000000, 0.0004207900000000, -0.0000993600000000 ] - [ -0.0001761600000000, 0.0002719700000000, 0.0000060300000000 ] - [ 0.0001764800000000, -0.0000190700000000, -0.0000450500000000 ] - [ 0.0000174600000000, 0.0003146000000000, -0.0002261200000000 ] - [ 0.0006242500000000, 0.0003838100000000, -0.0000694500000000 ] - [ 0.0000461300000000, 0.0002644100000000, -0.0000372700000000 ] - [ 0.0013759500000000, -0.0088468200000000, -0.0007842700000000 ] - [ 0.0000441000000000, -0.0007733100000000, 0.0001354800000000 ] - [ 0.0000110200000000, 0.0000170900000000, -0.0001166700000000 ] - [ -0.0000271900000000, 0.0006013700000000, -0.0006228700000000 ] - [ -0.0004999800000000, -0.0009512500000000, -0.0000836000000000 ] - [ 0.0001851700000000, -0.0001887200000000, 0.0001008200000000 ] - [ -0.0000977900000000, 0.0002542400000000, 0.0002133900000000 ] - [ -0.0000848200000000, -0.0001870900000000, 0.0001723600000000 ] - [ 0.0000189600000000, 0.0011060600000000, -0.0013194800000000 ] - [ 0.0000328100000000, 0.0007945400000000, -0.0000144000000000 ] - [ 0.0002166100000000, -0.0006058700000000, 0.0000059800000000 ] - [ 0.0000629900000000, -0.0004234300000000, -0.0002829800000000 ] - [ 0.0002007200000000, -0.0009306000000000, -0.0002106500000000 ] - [ -0.0001424100000000, -0.0006488900000000, -0.0002859700000000 ] - [ -0.0005076300000000, -0.0003432500000000, 0.0002746500000000 ] - [ -0.0000964600000000, -0.0004099200000000, 0.0002404000000000 ] - [ 0.0048820400000000, -0.0007413900000000, 0.0022370600000000 ] - [ -0.0002064700000000, 0.0002325600000000, 0.0002639100000000 ] - [ -0.0089405000000000, -0.0201638800000000, -0.0011210600000000 ] - [ 0.0002186900000000, -0.0003566600000000, -0.0001699800000000 ] - [ -0.0017624300000000, -0.0013542200000000, -0.0047418000000000 ] - [ -0.0057523000000000, 0.0025129500000000, -0.0092544100000000 ] - [ -0.0060590500000000, 0.1743065800000000, 0.0152553000000000 ] - [ 0.0004062900000000, 0.0009509000000000, 0.0002327100000000 ] - [ -0.0003028700000000, -0.0011301100000000, 0.0000797000000000 ] - [ -0.0015679000000000, -0.0067857700000000, 0.0014599600000000 ] - [ 0.0064538500000000, -0.0145559100000000, 0.0074820000000000 ] - [ -0.0000176600000000, -0.0005780200000000, 0.0002437300000000 ] - [ -0.0001703600000000, 0.0002008900000000, -0.0001996700000000 ] - [ 0.0067955100000000, 0.0051468700000000, -0.0004284300000000 ] - [ -0.0003811400000000, -0.0004381200000000, -0.0000302400000000 ] - [ 0.0001577400000000, -0.0001974800000000, 0.0000302800000000 ] - [ 0.0001333300000000, 0.0000111000000000, -0.0000726300000000 ] - [ -0.0000191100000000, -0.0000537800000000, -0.0002150700000000 ] - [ 0.0000725700000000, 0.0006383300000000, 0.0002485800000000 ] - [ -0.0003011900000000, 0.0011719200000000, 0.0004475500000000 ]- atom: 75 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000809100000000, -0.0000243600000000, -0.0000122900000000 ] - [ 0.0001015900000000, 0.0000311400000000, -0.0000736400000000 ] - [ -0.0078701900000000, 0.0274798200000000, 0.0120193100000000 ] - [ -0.0000777600000000, -0.0000307900000000, 0.0002396300000000 ] - [ 0.0000731100000000, -0.0001286800000000, -0.0000804600000000 ] - [ 0.0000532800000000, 0.0002141100000000, -0.0000062800000000 ] - [ 0.0001214800000000, -0.0001815100000000, 0.0002147800000000 ] - [ -0.0001637600000000, -0.0000603500000000, -0.0002845000000000 ] - [ 0.0000582700000000, -0.0003089500000000, -0.0001159400000000 ] - [ -0.0002065900000000, 0.0007069800000000, 0.0000706100000000 ] - [ 0.0000478300000000, -0.0000799300000000, 0.0001023000000000 ] - [ -0.0000310500000000, 0.0001263000000000, 0.0001925900000000 ] - [ 0.0005616700000000, -0.0003962300000000, 0.0003291300000000 ] - [ -0.0000895300000000, 0.0001042400000000, 0.0000857800000000 ] - [ 0.0004706800000000, -0.0001239000000000, -0.0001878900000000 ] - [ -0.0003566300000000, 0.0002823200000000, 0.0003765800000000 ] - [ 0.0000506900000000, -0.0002974100000000, 0.0000193900000000 ] - [ 0.0009762600000000, 0.0005591100000000, 0.0008949600000000 ] - [ -0.0193383700000000, -0.0005286600000000, 0.0118787400000000 ] - [ 0.0002481500000000, 0.0000428300000000, 0.0000257500000000 ] - [ -0.0004813500000000, -0.0007722100000000, -0.0005914100000000 ] - [ 0.0176094800000000, -0.0176312900000000, 0.0397171800000000 ] - [ -0.0001899300000000, -0.0002230800000000, 0.0000073700000000 ] - [ -0.0006304400000000, -0.0000123400000000, -0.0006382300000000 ] - [ -0.0012458000000000, -0.0002251900000000, 0.0016718500000000 ] - [ -0.0000128800000000, 0.0000968500000000, -0.0002327000000000 ] - [ -0.0001285700000000, -0.0003825900000000, 0.0000431800000000 ] - [ -0.0006050100000000, 0.0008310100000000, -0.0017508300000000 ] - [ 0.0088891500000000, 0.0005098800000000, 0.0399247200000000 ] - [ 0.0000660500000000, 0.0004600600000000, -0.0010850500000000 ] - [ 0.0000525500000000, -0.0007591700000000, -0.0006766200000000 ] - [ -0.0007183000000000, -0.0006602500000000, 0.0014620900000000 ] - [ 0.0000420500000000, -0.0000768600000000, -0.0003015200000000 ] - [ -0.0048829000000000, -0.0014554100000000, 0.0062468600000000 ] - [ -0.0000143600000000, 0.0001601400000000, -0.0005460800000000 ] - [ 0.0000870100000000, -0.0000607100000000, 0.0000209300000000 ] - [ -0.0000939500000000, -0.0001055800000000, -0.0001034100000000 ] - [ 0.0007674000000000, 0.0002429400000000, -0.0010985400000000 ] - [ 0.0001919800000000, 0.0009421900000000, 0.0009791400000000 ] - [ -0.0001052300000000, 0.0000321900000000, -0.0002335600000000 ] - [ 0.0000580400000000, -0.0000713900000000, -0.0000074600000000 ] - [ -0.0000221600000000, 0.0000664200000000, -0.0000835800000000 ] - [ -0.0002904900000000, 0.0002250400000000, -0.0003425400000000 ] - [ 0.0003956400000000, 0.0001616400000000, 0.0000894400000000 ] - [ 0.0000118900000000, 0.0000434400000000, -0.0002081300000000 ] - [ 0.0002388300000000, 0.0001900000000000, -0.0000063900000000 ] - [ 0.0000763900000000, 0.0002907600000000, -0.0000957200000000 ] - [ 0.0001587800000000, -0.0002812400000000, -0.0000809800000000 ] - [ 0.0002104700000000, 0.0000079800000000, 0.0001175100000000 ] - [ 0.0001293100000000, 0.0001337600000000, -0.0000815000000000 ] - [ -0.0000770400000000, 0.0003899000000000, 0.0001978900000000 ] - [ 0.0001734900000000, 0.0000306700000000, 0.0000458700000000 ] - [ 0.0009638000000000, 0.0016347000000000, 0.0045019000000000 ] - [ -0.0002163100000000, -0.0002243700000000, -0.0004890600000000 ] - [ -0.0001152000000000, 0.0000863000000000, -0.0001222500000000 ] - [ 0.0001850800000000, 0.0004680700000000, 0.0005227600000000 ] - [ 0.0001891600000000, -0.0000512700000000, -0.0003576900000000 ] - [ -0.0000118800000000, -0.0000178000000000, 0.0000042300000000 ] - [ -0.0000238100000000, 0.0001586400000000, 0.0001671500000000 ] - [ -0.0000313300000000, -0.0001362200000000, 0.0000664900000000 ] - [ 0.0027435300000000, 0.0010732000000000, -0.0014382800000000 ] - [ -0.0001214800000000, 0.0001595800000000, 0.0002066000000000 ] - [ -0.0002595400000000, 0.0000442400000000, -0.0003094000000000 ] - [ -0.0000187700000000, 0.0001298100000000, 0.0000153900000000 ] - [ -0.0004668800000000, 0.0001511600000000, -0.0004478800000000 ] - [ -0.0001772200000000, -0.0001482200000000, -0.0001574500000000 ] - [ -0.0006532000000000, -0.0003285900000000, -0.0002348100000000 ] - [ 0.0004158800000000, -0.0001987100000000, 0.0001408500000000 ] - [ -0.0017631700000000, -0.0003041500000000, -0.0016456100000000 ] - [ 0.0000694100000000, 0.0001728500000000, 0.0007115800000000 ] - [ 0.0057796600000000, -0.0036856000000000, 0.0006940200000000 ] - [ -0.0001334800000000, -0.0001576900000000, 0.0000308200000000 ] - [ -0.0001691400000000, 0.0016012800000000, 0.0006251000000000 ] - [ -0.0040901800000000, 0.0208408300000000, 0.0208933300000000 ] - [ 0.0038546100000000, -0.0161918400000000, -0.1472845500000000 ] - [ 0.0004394600000000, 0.0003021000000000, 0.0016990300000000 ] - [ -0.0001372300000000, -0.0000801500000000, -0.0001718600000000 ] - [ 0.0003812100000000, -0.0014947200000000, 0.0096215000000000 ] - [ 0.0051494400000000, -0.0165583300000000, -0.0051848500000000 ] - [ -0.0001069900000000, -0.0008618300000000, 0.0005080400000000 ] - [ 0.0003536200000000, 0.0003728300000000, 0.0005424900000000 ] - [ -0.0065311500000000, 0.0044227800000000, 0.0080208400000000 ] - [ -0.0001155500000000, -0.0000500400000000, 0.0001062700000000 ] - [ -0.0001819600000000, -0.0005324000000000, 0.0000917100000000 ] - [ 0.0001239800000000, 0.0000967400000000, 0.0003083300000000 ] - [ -0.0002264500000000, 0.0000596500000000, -0.0001699400000000 ] - [ 0.0002757700000000, 0.0001511600000000, 0.0002373800000000 ] - [ 0.0002561800000000, -0.0003876100000000, 0.0002494700000000 ]- atom: 75 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000574700000000, 0.0000042400000000, -0.0001239500000000 ] - [ 0.0000368400000000, -0.0000109800000000, -0.0000613000000000 ] - [ 0.0075070500000000, -0.0269820800000000, -0.0120104000000000 ] - [ -0.0001796300000000, -0.0001405200000000, -0.0001696900000000 ] - [ 0.0000485300000000, -0.0002134900000000, 0.0000562600000000 ] - [ 0.0000675000000000, 0.0001280300000000, -0.0000181100000000 ] - [ -0.0002973000000000, 0.0000143100000000, -0.0002029700000000 ] - [ -0.0000146100000000, 0.0002264400000000, 0.0002953100000000 ] - [ 0.0000773900000000, -0.0002697100000000, -0.0000042200000000 ] - [ 0.0003359400000000, -0.0001257800000000, -0.0001904400000000 ] - [ -0.0000000300000000, -0.0001889700000000, 0.0001469700000000 ] - [ 0.0000780500000000, 0.0001421400000000, 0.0000574500000000 ] - [ -0.0006637600000000, 0.0002208100000000, -0.0000254600000000 ] - [ -0.0000182900000000, 0.0000687700000000, 0.0002151300000000 ] - [ -0.0004018900000000, -0.0002357700000000, 0.0003637900000000 ] - [ 0.0004231300000000, 0.0000798800000000, -0.0002018500000000 ] - [ -0.0000741000000000, -0.0001086900000000, 0.0001199600000000 ] - [ -0.0009826300000000, -0.0001493500000000, -0.0007668400000000 ] - [ 0.0195407300000000, 0.0005122900000000, -0.0112727800000000 ] - [ -0.0001150800000000, -0.0000354100000000, 0.0004572400000000 ] - [ 0.0003164100000000, 0.0008062500000000, 0.0007449100000000 ] - [ -0.0168757700000000, 0.0168417700000000, -0.0376848800000000 ] - [ -0.0002042700000000, -0.0001825100000000, 0.0000298200000000 ] - [ 0.0002481800000000, 0.0004175700000000, 0.0006700200000000 ] - [ 0.0012258800000000, 0.0000811200000000, -0.0019565000000000 ] - [ -0.0000168600000000, 0.0000620200000000, -0.0000369100000000 ] - [ -0.0000377500000000, 0.0001502200000000, 0.0000188100000000 ] - [ 0.0004246200000000, -0.0005785700000000, 0.0017782400000000 ] - [ -0.0095335700000000, -0.0000067800000000, -0.0419503000000000 ] - [ 0.0000630100000000, -0.0005428800000000, 0.0007692400000000 ] - [ -0.0001199900000000, 0.0006009600000000, 0.0007203200000000 ] - [ 0.0006208600000000, 0.0008238800000000, -0.0013884300000000 ] - [ -0.0000550500000000, 0.0002949900000000, 0.0001774000000000 ] - [ 0.0049503600000000, 0.0012703900000000, -0.0064147900000000 ] - [ 0.0001102900000000, 0.0001033000000000, 0.0006748700000000 ] - [ 0.0000061500000000, -0.0002047200000000, 0.0001059900000000 ] - [ 0.0000238500000000, 0.0000976800000000, -0.0001181800000000 ] - [ -0.0008400700000000, -0.0002349500000000, 0.0008748700000000 ] - [ -0.0003162900000000, -0.0010229800000000, -0.0010601400000000 ] - [ -0.0000307100000000, 0.0000324300000000, 0.0001617400000000 ] - [ -0.0001350200000000, -0.0000061600000000, -0.0000302200000000 ] - [ -0.0000570100000000, 0.0000119000000000, 0.0000484100000000 ] - [ 0.0007997800000000, -0.0002987000000000, 0.0003528600000000 ] - [ 0.0001067300000000, -0.0000907200000000, -0.0000838700000000 ] - [ -0.0000028400000000, 0.0000543900000000, 0.0000515100000000 ] - [ -0.0002296700000000, -0.0002883600000000, -0.0001515300000000 ] - [ 0.0000175100000000, 0.0001266500000000, -0.0000344000000000 ] - [ -0.0000649200000000, -0.0001374900000000, -0.0000501200000000 ] - [ 0.0000769000000000, -0.0002098900000000, -0.0001939800000000 ] - [ 0.0001577000000000, 0.0000673800000000, 0.0000060000000000 ] - [ 0.0003899100000000, -0.0004106400000000, -0.0000390600000000 ] - [ 0.0001400800000000, -0.0000093400000000, 0.0001139700000000 ] - [ -0.0012202300000000, -0.0017471900000000, -0.0043186300000000 ] - [ -0.0000528500000000, 0.0002817400000000, 0.0007285300000000 ] - [ -0.0000012900000000, -0.0001921800000000, 0.0001363800000000 ] - [ -0.0002988100000000, -0.0003591600000000, -0.0005043800000000 ] - [ -0.0000543000000000, -0.0000205300000000, 0.0003465000000000 ] - [ 0.0001539800000000, 0.0000869400000000, -0.0000176500000000 ] - [ -0.0000782900000000, 0.0001448600000000, 0.0000683000000000 ] - [ -0.0000708200000000, -0.0001675100000000, 0.0001696400000000 ] - [ -0.0026091800000000, -0.0013994200000000, 0.0012319600000000 ] - [ 0.0002886000000000, 0.0001565600000000, -0.0004227500000000 ] - [ 0.0002209100000000, -0.0002457500000000, 0.0001644800000000 ] - [ -0.0000184100000000, 0.0000723300000000, -0.0001613800000000 ] - [ 0.0001202700000000, 0.0000635500000000, 0.0000656300000000 ] - [ -0.0001670600000000, -0.0000662600000000, -0.0002243700000000 ] - [ 0.0004630500000000, 0.0004908100000000, 0.0002071300000000 ] - [ -0.0006051800000000, 0.0000375300000000, -0.0001697300000000 ] - [ 0.0018297600000000, 0.0004420400000000, 0.0015047100000000 ] - [ -0.0000055500000000, -0.0003212100000000, -0.0008420100000000 ] - [ -0.0057894000000000, 0.0036986000000000, -0.0007608700000000 ] - [ 0.0001680900000000, 0.0001201100000000, -0.0001014000000000 ] - [ 0.0003791600000000, -0.0016487300000000, -0.0005779100000000 ] - [ 0.0043260100000000, -0.0205039400000000, -0.0202500000000000 ] - [ -0.0035669100000000, 0.0158271700000000, 0.1463228000000000 ] - [ -0.0001156800000000, -0.0003552500000000, -0.0019016700000000 ] - [ -0.0000558700000000, -0.0001800500000000, 0.0002782900000000 ] - [ -0.0005827400000000, 0.0017765900000000, -0.0094797700000000 ] - [ -0.0052009600000000, 0.0168175600000000, 0.0051678900000000 ] - [ 0.0001187100000000, 0.0006942200000000, -0.0004479400000000 ] - [ -0.0001980400000000, -0.0004722900000000, -0.0006499100000000 ] - [ 0.0066398100000000, -0.0042523200000000, -0.0080582800000000 ] - [ -0.0000857300000000, 0.0001161900000000, -0.0000502200000000 ] - [ -0.0000204500000000, 0.0004699900000000, -0.0000369500000000 ] - [ -0.0001844400000000, -0.0002941500000000, -0.0002339000000000 ] - [ 0.0001634100000000, 0.0001386800000000, 0.0002477000000000 ] - [ -0.0002509800000000, -0.0001889200000000, -0.0000959800000000 ] - [ -0.0002223300000000, 0.0004250200000000, -0.0001039700000000 ]- atom: 77 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0002504500000000, 0.0000227500000000, -0.0000092400000000 ] - [ 0.0001207200000000, 0.0000099400000000, -0.0001061600000000 ] - [ -0.0001547100000000, 0.0001068700000000, 0.0001117000000000 ] - [ 0.0050008000000000, 0.0174847300000000, -0.0073008400000000 ] - [ -0.0000394200000000, -0.0000672100000000, -0.0001071600000000 ] - [ 0.0000595800000000, 0.0001727900000000, 0.0000020300000000 ] - [ -0.0001785800000000, 0.0000015900000000, -0.0000331300000000 ] - [ -0.0002075700000000, 0.0001106400000000, 0.0000298100000000 ] - [ -0.0000179600000000, -0.0001709100000000, -0.0001003800000000 ] - [ 0.0000319600000000, 0.0002680800000000, -0.0000798700000000 ] - [ -0.0005742700000000, 0.0005346700000000, 0.0003698800000000 ] - [ -0.0000715600000000, 0.0000492500000000, 0.0001975100000000 ] - [ -0.0003821600000000, -0.0001249700000000, 0.0001239100000000 ] - [ -0.0010362300000000, 0.0005154900000000, -0.0002315700000000 ] - [ -0.0003429100000000, -0.0001532400000000, 0.0001794200000000 ] - [ -0.0000582900000000, 0.0001868800000000, 0.0000746300000000 ] - [ 0.0021130800000000, -0.0004894400000000, 0.0009731700000000 ] - [ -0.0000646300000000, 0.0002290400000000, -0.0000107700000000 ] - [ 0.0001001900000000, 0.0000434100000000, 0.0002110300000000 ] - [ -0.0016678000000000, 0.0002204100000000, 0.0006405300000000 ] - [ -0.0011291500000000, -0.0003875500000000, -0.0006310300000000 ] - [ -0.0000408600000000, -0.0000968700000000, 0.0000945800000000 ] - [ 0.0401694400000000, -0.0245257600000000, -0.0087835800000000 ] - [ -0.0000804600000000, 0.0003733800000000, -0.0000318300000000 ] - [ 0.0004263400000000, 0.0002888600000000, -0.0006700200000000 ] - [ 0.0002666000000000, -0.0003304700000000, -0.0008041300000000 ] - [ 0.0086336200000000, 0.0020999000000000, 0.0129816100000000 ] - [ 0.0000102100000000, -0.0000157700000000, -0.0000097200000000 ] - [ 0.0002145800000000, -0.0001017600000000, 0.0000990900000000 ] - [ -0.0007087500000000, -0.0003224800000000, 0.0000515000000000 ] - [ 0.0003627800000000, -0.0002823600000000, -0.0009860500000000 ] - [ -0.0000313300000000, 0.0000111900000000, 0.0001138400000000 ] - [ -0.0014101100000000, -0.0002116700000000, 0.0004201400000000 ] - [ 0.0000059000000000, -0.0001766300000000, -0.0000554900000000 ] - [ 0.0002545600000000, 0.0001900500000000, 0.0003876100000000 ] - [ 0.0111173100000000, 0.0096702100000000, 0.0153870500000000 ] - [ 0.0426259000000000, -0.0069449000000000, -0.0127249000000000 ] - [ 0.0000544300000000, -0.0000090900000000, -0.0001689800000000 ] - [ 0.0001125600000000, -0.0000738100000000, 0.0001941900000000 ] - [ 0.0016454000000000, 0.0006657200000000, 0.0004962100000000 ] - [ -0.0005521800000000, 0.0002107800000000, 0.0006655600000000 ] - [ -0.0003080300000000, -0.0001834600000000, -0.0000535900000000 ] - [ -0.0000329800000000, -0.0002655400000000, -0.0000885400000000 ] - [ 0.0003317100000000, 0.0001239000000000, 0.0001432900000000 ] - [ 0.0000655500000000, -0.0000619500000000, -0.0001590300000000 ] - [ 0.0000022900000000, 0.0000249000000000, -0.0000624800000000 ] - [ -0.0008345600000000, -0.0006185900000000, -0.0001152800000000 ] - [ -0.0000636100000000, -0.0001471300000000, 0.0000531900000000 ] - [ -0.0001921000000000, -0.0003226800000000, -0.0002121800000000 ] - [ 0.0000748800000000, 0.0001195800000000, 0.0000436800000000 ] - [ 0.0000909100000000, -0.0000439700000000, 0.0000519300000000 ] - [ -0.0003008800000000, -0.0005808800000000, 0.0005209800000000 ] - [ -0.0005351200000000, -0.0002365000000000, -0.0000666800000000 ] - [ -0.0002806600000000, 0.0002560500000000, 0.0000139100000000 ] - [ -0.0002757600000000, 0.0003856300000000, -0.0003021700000000 ] - [ 0.0028190200000000, -0.0005161500000000, 0.0017238200000000 ] - [ 0.0000847900000000, -0.0000463900000000, -0.0000025600000000 ] - [ -0.0001037400000000, 0.0007403900000000, -0.0003783500000000 ] - [ -0.0001463900000000, 0.0004285700000000, 0.0005769900000000 ] - [ -0.0001755600000000, -0.0002377100000000, 0.0001550600000000 ] - [ -0.0000569800000000, 0.0000452300000000, -0.0000780800000000 ] - [ -0.0001443700000000, 0.0003123900000000, -0.0003879300000000 ] - [ 0.0010651200000000, 0.0011358000000000, -0.0024846100000000 ] - [ 0.0006656500000000, 0.0004065000000000, 0.0007302500000000 ] - [ 0.0003015100000000, 0.0001625400000000, -0.0005334900000000 ] - [ 0.0017295000000000, 0.0001812800000000, -0.0005207300000000 ] - [ 0.0006535400000000, -0.0005676700000000, 0.0003060900000000 ] - [ -0.0000068300000000, 0.0000740300000000, -0.0001807800000000 ] - [ 0.0003236800000000, 0.0001616000000000, 0.0001124300000000 ] - [ 0.0004782000000000, -0.0008774500000000, 0.0000456300000000 ] - [ 0.0003364100000000, -0.0003336700000000, 0.0006922000000000 ] - [ 0.0166742800000000, 0.0213150600000000, -0.0117578200000000 ] - [ 0.0085367700000000, 0.0115765800000000, 0.0000194100000000 ] - [ 0.0001806900000000, 0.0000436300000000, 0.0001026300000000 ] - [ 0.0000504300000000, 0.0002324700000000, -0.0001375800000000 ] - [ 0.0096772500000000, -0.0014664400000000, 0.0003821400000000 ] - [ -0.1479440900000000, -0.0092701400000000, 0.0054768300000000 ] - [ -0.0002144300000000, -0.0000403400000000, 0.0002406700000000 ] - [ -0.0017220600000000, -0.0001019100000000, -0.0019902200000000 ] - [ 0.0023854400000000, -0.0059773500000000, 0.0010950900000000 ] - [ 0.0006880700000000, -0.0156479500000000, 0.0062945800000000 ] - [ 0.0000142900000000, 0.0002179000000000, -0.0001931200000000 ] - [ 0.0000392000000000, 0.0000747100000000, -0.0004445900000000 ] - [ 0.0009421100000000, 0.0012340700000000, 0.0000105300000000 ] - [ -0.0000032000000000, 0.0000868700000000, 0.0000302900000000 ] - [ 0.0003686600000000, -0.0005257600000000, -0.0000581000000000 ] - [ 0.0000297000000000, -0.0002526100000000, 0.0003490000000000 ] - [ -0.0000958000000000, 0.0000008100000000, 0.0000771400000000 ]- atom: 77 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ -0.0001102800000000, -0.0000421500000000, -0.0001271300000000 ] - [ 0.0000190700000000, 0.0000101000000000, -0.0000293400000000 ] - [ -0.0001033700000000, 0.0000653600000000, -0.0000430900000000 ] - [ -0.0053795800000000, -0.0175198400000000, 0.0073186900000000 ] - [ 0.0001604200000000, -0.0002694900000000, 0.0000809400000000 ] - [ 0.0000617600000000, 0.0001653300000000, -0.0000289600000000 ] - [ 0.0000016700000000, -0.0001710400000000, 0.0000468900000000 ] - [ 0.0000286400000000, 0.0000568100000000, -0.0000180200000000 ] - [ 0.0001562600000000, -0.0004042700000000, -0.0000203600000000 ] - [ 0.0001067700000000, 0.0003078000000000, -0.0000409600000000 ] - [ 0.0006204800000000, -0.0008025800000000, -0.0001208400000000 ] - [ 0.0001216600000000, 0.0002220400000000, 0.0000497100000000 ] - [ 0.0002745800000000, -0.0000476800000000, 0.0001789100000000 ] - [ 0.0009251600000000, -0.0003416600000000, 0.0005349200000000 ] - [ 0.0004131000000000, -0.0002047100000000, -0.0000073200000000 ] - [ 0.0001317200000000, 0.0001716300000000, 0.0000965500000000 ] - [ -0.0020903000000000, 0.0001071700000000, -0.0008192000000000 ] - [ 0.0000384700000000, 0.0001769100000000, 0.0001482000000000 ] - [ 0.0000320500000000, -0.0000477400000000, 0.0002747400000000 ] - [ 0.0017647300000000, -0.0002015800000000, -0.0001458200000000 ] - [ 0.0009550600000000, 0.0004118600000000, 0.0007748800000000 ] - [ -0.0001298300000000, 0.0000731400000000, 0.0000514100000000 ] - [ -0.0386906300000000, 0.0230784100000000, 0.0082047200000000 ] - [ -0.0003169200000000, 0.0000310700000000, 0.0000685000000000 ] - [ -0.0004569800000000, -0.0004453900000000, 0.0003944200000000 ] - [ -0.0003091200000000, 0.0004786100000000, 0.0005348700000000 ] - [ -0.0088244000000000, -0.0023004700000000, -0.0128055600000000 ] - [ -0.0001752700000000, 0.0002452300000000, 0.0000750600000000 ] - [ -0.0000859900000000, 0.0001924500000000, -0.0004116700000000 ] - [ 0.0008350100000000, 0.0002248500000000, -0.0003701400000000 ] - [ -0.0004224400000000, 0.0000969100000000, 0.0010283000000000 ] - [ -0.0000314600000000, 0.0001584700000000, -0.0000770800000000 ] - [ 0.0014092900000000, 0.0004247600000000, -0.0005419900000000 ] - [ -0.0000148100000000, -0.0000381100000000, -0.0000668700000000 ] - [ -0.0001589000000000, 0.0000766400000000, -0.0002604000000000 ] - [ -0.0109780000000000, -0.0100428600000000, -0.0154535000000000 ] - [ -0.0446060000000000, 0.0076686700000000, 0.0131253100000000 ] - [ -0.0001240100000000, 0.0000168600000000, -0.0000550900000000 ] - [ -0.0002477800000000, 0.0000120500000000, -0.0002579600000000 ] - [ -0.0018010500000000, -0.0005939600000000, -0.0005840200000000 ] - [ 0.0004817200000000, -0.0002895400000000, -0.0007079600000000 ] - [ 0.0002316900000000, 0.0002614600000000, 0.0000203100000000 ] - [ 0.0005314400000000, 0.0001913600000000, 0.0000916800000000 ] - [ 0.0001731500000000, -0.0000535900000000, -0.0001394500000000 ] - [ -0.0000606800000000, 0.0001600600000000, 0.0000035500000000 ] - [ 0.0000029300000000, -0.0001229700000000, -0.0000930000000000 ] - [ 0.0009279100000000, 0.0010417800000000, -0.0000115400000000 ] - [ 0.0001525800000000, -0.0002693600000000, -0.0001826600000000 ] - [ 0.0004758900000000, 0.0001198800000000, 0.0001372400000000 ] - [ 0.0002108000000000, 0.0000851600000000, -0.0001211800000000 ] - [ 0.0002246100000000, 0.0000211800000000, 0.0001087700000000 ] - [ 0.0006265800000000, 0.0005981900000000, -0.0003649900000000 ] - [ 0.0002609000000000, 0.0001719300000000, 0.0002961600000000 ] - [ 0.0000038300000000, -0.0001851800000000, 0.0002092100000000 ] - [ 0.0001608500000000, -0.0004899000000000, 0.0003119700000000 ] - [ -0.0030045800000000, 0.0005722800000000, -0.0017083100000000 ] - [ 0.0000539600000000, -0.0000192700000000, -0.0000146600000000 ] - [ 0.0002390900000000, -0.0006712500000000, 0.0003617400000000 ] - [ 0.0000448300000000, -0.0001242900000000, -0.0003469700000000 ] - [ 0.0000715700000000, -0.0000672700000000, 0.0000794700000000 ] - [ 0.0002259100000000, -0.0003572200000000, -0.0001356400000000 ] - [ 0.0003122700000000, -0.0000033800000000, 0.0001756800000000 ] - [ -0.0011151900000000, -0.0013533200000000, 0.0023634700000000 ] - [ -0.0007058000000000, -0.0002062700000000, -0.0008798200000000 ] - [ -0.0006391600000000, 0.0000533100000000, 0.0001557200000000 ] - [ -0.0020715200000000, -0.0003942800000000, 0.0001336200000000 ] - [ -0.0008406800000000, 0.0007250300000000, -0.0003365400000000 ] - [ -0.0001819400000000, -0.0002350900000000, 0.0001563100000000 ] - [ -0.0002542300000000, -0.0000178000000000, -0.0002401400000000 ] - [ -0.0004054000000000, 0.0007296100000000, -0.0001705900000000 ] - [ -0.0003029300000000, 0.0003692400000000, -0.0007552000000000 ] - [ -0.0161951700000000, -0.0211745000000000, 0.0114404300000000 ] - [ -0.0082970400000000, -0.0115111400000000, 0.0000359700000000 ] - [ 0.0000177700000000, -0.0000170900000000, -0.0000731700000000 ] - [ 0.0002709200000000, -0.0001751200000000, -0.0000558700000000 ] - [ -0.0093310300000000, 0.0014264500000000, -0.0005910500000000 ] - [ 0.1475718700000000, 0.0088981800000000, -0.0050677900000000 ] - [ 0.0000187800000000, 0.0002995400000000, -0.0001409100000000 ] - [ 0.0017223200000000, 0.0002633800000000, 0.0020580800000000 ] - [ -0.0023685900000000, 0.0058340500000000, -0.0009845200000000 ] - [ -0.0006387400000000, 0.0156678600000000, -0.0064118900000000 ] - [ 0.0001439200000000, -0.0001203400000000, 0.0000895200000000 ] - [ -0.0002455800000000, -0.0000114600000000, 0.0005021900000000 ] - [ -0.0011345400000000, -0.0013162900000000, 0.0000564800000000 ] - [ -0.0000586300000000, -0.0002802600000000, 0.0000481200000000 ] - [ -0.0004330600000000, 0.0007265600000000, 0.0001360700000000 ] - [ 0.0000015600000000, 0.0002152500000000, -0.0002046800000000 ] - [ 0.0001260900000000, 0.0000348200000000, 0.0000651200000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001150900000000, 0.0000730800000000, -0.0000707900000000 ] - [ 0.0000707200000000, 0.0000138100000000, -0.0000485000000000 ] - [ -0.0000757600000000, 0.0001379000000000, -0.0000076300000000 ] - [ 0.0193623200000000, 0.0655320700000000, -0.0279396800000000 ] - [ 0.0000465100000000, -0.0003198600000000, 0.0000884900000000 ] - [ 0.0000365600000000, 0.0001291000000000, 0.0000132900000000 ] - [ -0.0000646500000000, -0.0001146500000000, -0.0000146200000000 ] - [ -0.0001612400000000, -0.0000495800000000, -0.0001505000000000 ] - [ -0.0001330100000000, -0.0007416500000000, -0.0000358000000000 ] - [ 0.0000964000000000, 0.0000874700000000, -0.0000959900000000 ] - [ 0.0001749900000000, -0.0002307700000000, 0.0000880400000000 ] - [ 0.0000855900000000, 0.0003267100000000, 0.0000930600000000 ] - [ -0.0001452600000000, -0.0001061600000000, 0.0000285200000000 ] - [ 0.0000916600000000, 0.0000415500000000, 0.0002431300000000 ] - [ 0.0000285600000000, -0.0002581000000000, 0.0000382200000000 ] - [ -0.0001193700000000, 0.0001919300000000, 0.0001602300000000 ] - [ 0.0003915100000000, 0.0012207900000000, -0.0002181800000000 ] - [ 0.0001288200000000, 0.0001946700000000, 0.0001439100000000 ] - [ 0.0001460200000000, -0.0001224400000000, 0.0002423300000000 ] - [ -0.0012418900000000, -0.0001609400000000, 0.0005759800000000 ] - [ -0.0007914500000000, -0.0013371100000000, -0.0015822100000000 ] - [ 0.0000770500000000, -0.0004193900000000, 0.0001269600000000 ] - [ -0.0230716900000000, 0.0285389300000000, 0.0026146100000000 ] - [ -0.0000592000000000, 0.0005892700000000, 0.0000835300000000 ] - [ 0.0001540000000000, -0.0002244400000000, 0.0004274500000000 ] - [ -0.0002010700000000, 0.0020756500000000, -0.0001759000000000 ] - [ 0.0030038600000000, 0.0100767400000000, 0.0004534200000000 ] - [ -0.0000892800000000, 0.0000406800000000, -0.0002070500000000 ] - [ 0.0001864900000000, -0.0003062300000000, 0.0000824400000000 ] - [ 0.0005393100000000, -0.0004622400000000, 0.0006133700000000 ] - [ -0.0002805800000000, 0.0012734100000000, 0.0005706800000000 ] - [ -0.0001266200000000, -0.0001316300000000, 0.0001935300000000 ] - [ 0.0018043400000000, -0.0010591100000000, -0.0007116200000000 ] - [ -0.0000665000000000, -0.0004445100000000, -0.0000997700000000 ] - [ 0.0001033100000000, 0.0004901700000000, 0.0006975600000000 ] - [ 0.0104482400000000, 0.0168175900000000, 0.0148235500000000 ] - [ -0.0045805600000000, 0.0106529200000000, -0.0011807600000000 ] - [ -0.0000853200000000, 0.0001236300000000, -0.0000608200000000 ] - [ -0.0000366300000000, -0.0002885300000000, 0.0003916000000000 ] - [ -0.0001281300000000, 0.0011956600000000, -0.0007593100000000 ] - [ 0.0002536600000000, -0.0000640500000000, -0.0003287600000000 ] - [ -0.0003221800000000, -0.0000620800000000, -0.0001982000000000 ] - [ -0.0005543500000000, -0.0007697100000000, -0.0001741400000000 ] - [ 0.0003384000000000, -0.0000002600000000, 0.0000423700000000 ] - [ 0.0001516600000000, -0.0003036900000000, -0.0001671600000000 ] - [ -0.0000608000000000, -0.0002477300000000, -0.0001135000000000 ] - [ -0.0002157200000000, 0.0005729900000000, -0.0002124500000000 ] - [ -0.0000401300000000, 0.0000702600000000, -0.0000354300000000 ] - [ -0.0007937700000000, -0.0003129300000000, -0.0001092000000000 ] - [ 0.0000582000000000, 0.0002263600000000, -0.0001168500000000 ] - [ 0.0002647900000000, 0.0002333800000000, 0.0001909500000000 ] - [ -0.0004883100000000, 0.0010427900000000, -0.0000925800000000 ] - [ -0.0000933000000000, -0.0004737700000000, -0.0003926500000000 ] - [ -0.0000580400000000, 0.0001720800000000, -0.0000317100000000 ] - [ 0.0001405500000000, 0.0007164400000000, -0.0003664800000000 ] - [ -0.0007144500000000, 0.0051543700000000, 0.0001594800000000 ] - [ -0.0000081300000000, -0.0002287600000000, -0.0000696400000000 ] - [ 0.0004730100000000, -0.0003482300000000, -0.0002277500000000 ] - [ 0.0001631900000000, 0.0000745000000000, -0.0002650300000000 ] - [ -0.0000618300000000, -0.0000899900000000, -0.0000023800000000 ] - [ 0.0000627500000000, 0.0005749000000000, -0.0000763900000000 ] - [ -0.0001941500000000, 0.0007325600000000, -0.0002581300000000 ] - [ 0.0004451400000000, -0.0021202400000000, 0.0000074200000000 ] - [ 0.0004525600000000, 0.0001322500000000, 0.0004848700000000 ] - [ -0.0000943100000000, -0.0005280000000000, 0.0000997300000000 ] - [ -0.0005076400000000, -0.0011994400000000, 0.0002255500000000 ] - [ -0.0000043500000000, 0.0003071800000000, -0.0002145700000000 ] - [ 0.0000941400000000, -0.0001959700000000, -0.0001324300000000 ] - [ 0.0003104000000000, 0.0002795700000000, -0.0000344300000000 ] - [ -0.0001814900000000, 0.0004662000000000, -0.0001632300000000 ] - [ -0.0002756500000000, -0.0002338500000000, -0.0002809000000000 ] - [ 0.0084796000000000, -0.0076787900000000, -0.0004783300000000 ] - [ 0.0078425400000000, 0.0172083300000000, 0.0078039400000000 ] - [ 0.0000088600000000, 0.0004976900000000, 0.0002314000000000 ] - [ -0.0000652600000000, 0.0010267800000000, -0.0000502700000000 ] - [ -0.0007558600000000, 0.0070403300000000, 0.0015130200000000 ] - [ -0.0097336300000000, -0.1757152400000000, 0.0136692000000000 ] - [ 0.0000676000000000, -0.0007346400000000, 0.0003684500000000 ] - [ -0.0015249800000000, 0.0012074100000000, -0.0036943700000000 ] - [ -0.0039469700000000, -0.0005912700000000, -0.0076415700000000 ] - [ -0.0080742000000000, 0.0184376700000000, -0.0011391700000000 ] - [ 0.0002149000000000, 0.0003305900000000, -0.0002148200000000 ] - [ -0.0002834700000000, -0.0002228100000000, 0.0002676900000000 ] - [ 0.0035971700000000, 0.0006133800000000, 0.0021855900000000 ] - [ -0.0000825700000000, 0.0001510300000000, 0.0003040100000000 ] - [ -0.0002629200000000, 0.0003921100000000, 0.0002581500000000 ] - [ 0.0003333900000000, 0.0009190600000000, -0.0000109100000000 ] - [ 0.0000127800000000, 0.0004948600000000, 0.0000468200000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000259800000000, -0.0000925100000000, -0.0000645400000000 ] - [ 0.0000697700000000, 0.0000065200000000, -0.0000885100000000 ] - [ -0.0001836600000000, 0.0000349200000000, 0.0000763100000000 ] - [ -0.0188249000000000, -0.0635236200000000, 0.0269319800000000 ] - [ 0.0000743900000000, -0.0000163600000000, -0.0001144200000000 ] - [ 0.0000845100000000, 0.0002089200000000, -0.0000383100000000 ] - [ -0.0001149200000000, -0.0000529500000000, 0.0000270400000000 ] - [ -0.0000167200000000, 0.0002172900000000, 0.0001620300000000 ] - [ 0.0002706600000000, 0.0001658600000000, -0.0000846800000000 ] - [ 0.0000411900000000, 0.0004901000000000, -0.0000244700000000 ] - [ -0.0001273400000000, -0.0000379200000000, 0.0001610800000000 ] - [ -0.0000373700000000, -0.0000577300000000, 0.0001573600000000 ] - [ 0.0000365100000000, -0.0000665900000000, 0.0002744200000000 ] - [ -0.0002044600000000, 0.0001353100000000, 0.0000591100000000 ] - [ 0.0000432200000000, -0.0000992600000000, 0.0001347100000000 ] - [ 0.0001912500000000, 0.0001664200000000, 0.0000130500000000 ] - [ -0.0004216600000000, -0.0016388700000000, 0.0003389100000000 ] - [ -0.0001544200000000, 0.0002119500000000, -0.0000064200000000 ] - [ -0.0000133800000000, 0.0001184300000000, 0.0002430100000000 ] - [ 0.0013960600000000, 0.0001467800000000, -0.0000955900000000 ] - [ 0.0006255900000000, 0.0013661900000000, 0.0017244000000000 ] - [ -0.0002483000000000, 0.0003960400000000, 0.0000192300000000 ] - [ 0.0231286200000000, -0.0290241000000000, -0.0026799900000000 ] - [ -0.0003381200000000, -0.0001832500000000, -0.0000461000000000 ] - [ -0.0001863000000000, 0.0000677000000000, -0.0007042500000000 ] - [ 0.0001699300000000, -0.0019172400000000, -0.0000823100000000 ] - [ -0.0031863100000000, -0.0103058700000000, -0.0004159000000000 ] - [ -0.0000770800000000, 0.0001909000000000, 0.0002730600000000 ] - [ -0.0000572600000000, 0.0003975900000000, -0.0003937100000000 ] - [ -0.0004208200000000, 0.0003593700000000, -0.0009446800000000 ] - [ 0.0002130900000000, -0.0014081800000000, -0.0005183000000000 ] - [ 0.0000633900000000, 0.0003016700000000, -0.0001580100000000 ] - [ -0.0018022800000000, 0.0012777700000000, 0.0005779700000000 ] - [ 0.0000568900000000, 0.0002300400000000, -0.0000222700000000 ] - [ -0.0000099300000000, -0.0002229300000000, -0.0005760700000000 ] - [ -0.0104444300000000, -0.0170456800000000, -0.0148133300000000 ] - [ 0.0043789100000000, -0.0106452100000000, 0.0010022000000000 ] - [ 0.0000150500000000, -0.0001153100000000, -0.0001634000000000 ] - [ -0.0000999000000000, 0.0002285500000000, -0.0004579700000000 ] - [ -0.0000053200000000, -0.0011394500000000, 0.0006798200000000 ] - [ -0.0003338800000000, -0.0000115100000000, 0.0002988400000000 ] - [ 0.0002475300000000, 0.0001402100000000, 0.0001660400000000 ] - [ 0.0010560300000000, 0.0006994800000000, 0.0001783600000000 ] - [ 0.0001682800000000, 0.0000714400000000, -0.0000358400000000 ] - [ -0.0001466900000000, 0.0004026600000000, 0.0000112500000000 ] - [ 0.0000665000000000, 0.0001515500000000, -0.0000417300000000 ] - [ 0.0003054000000000, -0.0001577500000000, 0.0000862900000000 ] - [ 0.0001292000000000, -0.0004870500000000, -0.0000924700000000 ] - [ 0.0010877300000000, 0.0001126300000000, 0.0000364000000000 ] - [ 0.0002272400000000, -0.0000233400000000, 0.0000436700000000 ] - [ 0.0000506100000000, -0.0002569300000000, -0.0000300600000000 ] - [ 0.0007946100000000, -0.0010180500000000, 0.0002572300000000 ] - [ -0.0001797700000000, 0.0004076600000000, 0.0006284400000000 ] - [ -0.0002110300000000, -0.0000936000000000, 0.0002520600000000 ] - [ -0.0002484500000000, -0.0008201400000000, 0.0003820500000000 ] - [ 0.0004538500000000, -0.0054269300000000, -0.0000528600000000 ] - [ 0.0001470700000000, 0.0001632600000000, 0.0000527400000000 ] - [ -0.0003448200000000, 0.0004153500000000, 0.0002197400000000 ] - [ -0.0002652300000000, 0.0002307600000000, 0.0004994200000000 ] - [ -0.0000427600000000, -0.0002152800000000, 0.0002367300000000 ] - [ 0.0001064300000000, -0.0008881700000000, -0.0001384400000000 ] - [ 0.0003667100000000, -0.0004207700000000, 0.0000488400000000 ] - [ -0.0004830600000000, 0.0019354300000000, -0.0001523200000000 ] - [ -0.0004947400000000, 0.0000698500000000, -0.0006313800000000 ] - [ -0.0002419800000000, 0.0007443400000000, -0.0004875700000000 ] - [ 0.0001760200000000, 0.0009860400000000, -0.0006124600000000 ] - [ -0.0001887500000000, -0.0001533000000000, 0.0001873600000000 ] - [ -0.0002857000000000, 0.0000447500000000, 0.0001019400000000 ] - [ -0.0002433800000000, -0.0001321400000000, -0.0000907700000000 ] - [ 0.0002461600000000, -0.0006205500000000, 0.0000367200000000 ] - [ 0.0003107600000000, 0.0002689000000000, 0.0002164400000000 ] - [ -0.0083945300000000, 0.0077752000000000, 0.0003453600000000 ] - [ -0.0074485300000000, -0.0167950500000000, -0.0077166000000000 ] - [ 0.0001933200000000, -0.0004765200000000, -0.0001933600000000 ] - [ 0.0003878500000000, -0.0009735300000000, -0.0001461900000000 ] - [ 0.0010913900000000, -0.0069391600000000, -0.0017537500000000 ] - [ 0.0084946100000000, 0.1722379000000000, -0.0121536400000000 ] - [ -0.0002632700000000, 0.0009940100000000, -0.0002649400000000 ] - [ 0.0015403200000000, -0.0010628200000000, 0.0037714100000000 ] - [ 0.0040044200000000, 0.0005570000000000, 0.0076538200000000 ] - [ 0.0080917400000000, -0.0179559700000000, 0.0009318400000000 ] - [ -0.0000605000000000, -0.0002359700000000, 0.0001138000000000 ] - [ 0.0000825100000000, 0.0002889200000000, -0.0002212400000000 ] - [ -0.0038074600000000, -0.0006929600000000, -0.0021426300000000 ] - [ 0.0000238500000000, -0.0003472600000000, -0.0002294200000000 ] - [ 0.0002062500000000, -0.0001966500000000, -0.0001866300000000 ] - [ -0.0002991900000000, -0.0009644600000000, 0.0001586900000000 ] - [ 0.0000171700000000, -0.0004567800000000, 0.0000963700000000 ]- atom: 77 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0001364100000000, -0.0000135700000000, -0.0000533200000000 ] - [ 0.0000652800000000, 0.0000349500000000, -0.0000249400000000 ] - [ -0.0000573500000000, 0.0000064900000000, 0.0001995500000000 ] - [ -0.0081027800000000, -0.0278966000000000, 0.0120824000000000 ] - [ 0.0000948500000000, -0.0001895200000000, 0.0000732900000000 ] - [ 0.0000624300000000, 0.0001685600000000, -0.0000917300000000 ] - [ -0.0000589300000000, -0.0001901400000000, 0.0001527100000000 ] - [ -0.0000897600000000, 0.0000479700000000, -0.0000378800000000 ] - [ 0.0001634300000000, -0.0002143500000000, -0.0000505400000000 ] - [ 0.0000747700000000, 0.0002053600000000, -0.0000875300000000 ] - [ 0.0001785000000000, -0.0003522700000000, 0.0001566100000000 ] - [ 0.0000214800000000, 0.0001425700000000, 0.0000068200000000 ] - [ -0.0004685200000000, -0.0002263300000000, -0.0000662500000000 ] - [ 0.0001146700000000, -0.0000387500000000, 0.0002423600000000 ] - [ 0.0001394200000000, -0.0001585700000000, 0.0001051900000000 ] - [ 0.0000371500000000, 0.0001610300000000, 0.0000415200000000 ] - [ 0.0006674800000000, -0.0009510500000000, 0.0008806800000000 ] - [ -0.0000830500000000, 0.0002429700000000, -0.0001296100000000 ] - [ 0.0000130800000000, 0.0000956600000000, 0.0002175800000000 ] - [ 0.0008115700000000, -0.0003810500000000, -0.0006548500000000 ] - [ 0.0000758900000000, 0.0000077700000000, -0.0005339300000000 ] - [ -0.0000553800000000, -0.0000920300000000, 0.0000193100000000 ] - [ -0.0097561800000000, 0.0027484400000000, 0.0066512200000000 ] - [ -0.0000811800000000, 0.0004735100000000, -0.0001483500000000 ] - [ 0.0001443800000000, 0.0004100100000000, -0.0009272900000000 ] - [ -0.0009509800000000, 0.0008593000000000, 0.0016711600000000 ] - [ 0.0136334200000000, -0.0000058600000000, 0.0534886700000000 ] - [ 0.0000112400000000, -0.0004315300000000, -0.0010296300000000 ] - [ 0.0000771700000000, 0.0002798600000000, -0.0001128200000000 ] - [ -0.0006029400000000, -0.0009753800000000, -0.0019969700000000 ] - [ -0.0007578600000000, -0.0001448800000000, 0.0017305100000000 ] - [ -0.0000312600000000, 0.0000768400000000, -0.0001027500000000 ] - [ -0.0002728600000000, 0.0001050600000000, -0.0008399600000000 ] - [ -0.0000016800000000, -0.0000751300000000, -0.0000578400000000 ] - [ -0.0004429300000000, 0.0010163200000000, -0.0007210100000000 ] - [ 0.0122711800000000, 0.0125899200000000, 0.0306432800000000 ] - [ -0.0138112600000000, -0.0004609000000000, 0.0083621900000000 ] - [ 0.0001545200000000, -0.0001281000000000, -0.0004678100000000 ] - [ 0.0000137600000000, 0.0000827200000000, -0.0000541900000000 ] - [ 0.0007793000000000, -0.0003889400000000, 0.0005173900000000 ] - [ 0.0004240500000000, -0.0002254500000000, -0.0003529900000000 ] - [ -0.0004328000000000, -0.0002695700000000, 0.0003079300000000 ] - [ 0.0007721600000000, 0.0002282300000000, 0.0001697400000000 ] - [ 0.0002130200000000, 0.0000189000000000, -0.0000698800000000 ] - [ -0.0000657400000000, 0.0000859100000000, -0.0000302800000000 ] - [ 0.0000218700000000, -0.0000867700000000, -0.0000923400000000 ] - [ -0.0004993900000000, -0.0002557000000000, 0.0003089100000000 ] - [ 0.0000481400000000, -0.0001980500000000, -0.0001618500000000 ] - [ 0.0004080700000000, 0.0000345600000000, 0.0001713700000000 ] - [ -0.0000559400000000, 0.0003030700000000, -0.0003969100000000 ] - [ 0.0001001600000000, 0.0000204600000000, 0.0001295200000000 ] - [ 0.0003028200000000, 0.0000653000000000, -0.0003275800000000 ] - [ 0.0000808500000000, -0.0004558200000000, 0.0006717700000000 ] - [ -0.0002083900000000, -0.0001402600000000, -0.0000232800000000 ] - [ 0.0000012900000000, 0.0002979300000000, -0.0008586800000000 ] - [ 0.0014229700000000, -0.0007261100000000, 0.0038848300000000 ] - [ 0.0000925400000000, -0.0000449700000000, -0.0000577500000000 ] - [ -0.0002158600000000, -0.0001856500000000, 0.0001004800000000 ] - [ -0.0000945200000000, 0.0000756100000000, 0.0001077800000000 ] - [ -0.0000874800000000, -0.0002094500000000, 0.0001077200000000 ] - [ 0.0001468200000000, -0.0003454600000000, -0.0001944500000000 ] - [ 0.0000343500000000, 0.0001696000000000, 0.0001410600000000 ] - [ -0.0015996300000000, -0.0005355900000000, 0.0007224700000000 ] - [ 0.0021729200000000, 0.0009790700000000, 0.0017010600000000 ] - [ 0.0002432900000000, -0.0001036800000000, -0.0000314300000000 ] - [ -0.0001137600000000, 0.0002226400000000, -0.0000075100000000 ] - [ -0.0003141500000000, 0.0001333600000000, -0.0002816700000000 ] - [ 0.0000450600000000, -0.0002639600000000, 0.0002940200000000 ] - [ 0.0000111200000000, 0.0005920300000000, 0.0000372700000000 ] - [ -0.0000207100000000, 0.0000303800000000, 0.0000018100000000 ] - [ 0.0003417800000000, -0.0004893500000000, 0.0006175500000000 ] - [ -0.0075958000000000, -0.0052556100000000, 0.0088253500000000 ] - [ 0.0048397900000000, 0.0197016800000000, -0.0074341500000000 ] - [ 0.0000263200000000, 0.0007464000000000, 0.0005480600000000 ] - [ 0.0001081700000000, 0.0000033900000000, -0.0003212800000000 ] - [ 0.0004186900000000, 0.0013733000000000, 0.0094373000000000 ] - [ 0.0051146600000000, 0.0124624100000000, -0.1478889200000000 ] - [ 0.0000945700000000, -0.0001870000000000, 0.0019049100000000 ] - [ -0.0004841100000000, -0.0015458500000000, 0.0006656000000000 ] - [ -0.0021428900000000, -0.0157353500000000, 0.0176465900000000 ] - [ 0.0045660900000000, 0.0026882400000000, 0.0017338600000000 ] - [ -0.0000823600000000, 0.0001824800000000, 0.0000150300000000 ] - [ -0.0000281200000000, -0.0002138600000000, 0.0007611500000000 ] - [ -0.0017677700000000, 0.0003147100000000, -0.0014297400000000 ] - [ 0.0003654800000000, -0.0000327200000000, 0.0001723800000000 ] - [ -0.0004738600000000, 0.0004017800000000, -0.0002523900000000 ] - [ -0.0002608500000000, -0.0001201600000000, -0.0001274200000000 ] - [ 0.0000106400000000, 0.0000546100000000, 0.0001017200000000 ]- atom: 77 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000045500000000, -0.0000060100000000, -0.0000835000000000 ] - [ 0.0000751600000000, -0.0000148100000000, -0.0001103800000000 ] - [ -0.0002008900000000, 0.0001658600000000, -0.0001292400000000 ] - [ 0.0079367200000000, 0.0280395200000000, -0.0119858100000000 ] - [ 0.0000264500000000, -0.0001482400000000, -0.0000986100000000 ] - [ 0.0000588100000000, 0.0001694700000000, 0.0000648500000000 ] - [ -0.0001197200000000, 0.0000221000000000, -0.0001405400000000 ] - [ -0.0000889600000000, 0.0001189400000000, 0.0000491000000000 ] - [ -0.0000255100000000, -0.0003628500000000, -0.0000700700000000 ] - [ 0.0000630200000000, 0.0003706500000000, -0.0000340000000000 ] - [ -0.0001287300000000, 0.0000805700000000, 0.0000919000000000 ] - [ 0.0000274100000000, 0.0001274900000000, 0.0002410500000000 ] - [ 0.0003536400000000, 0.0000527800000000, 0.0003657600000000 ] - [ -0.0002233100000000, 0.0002104900000000, 0.0000608200000000 ] - [ -0.0000682000000000, -0.0002003100000000, 0.0000670800000000 ] - [ 0.0000358100000000, 0.0001979900000000, 0.0001283400000000 ] - [ -0.0007029300000000, 0.0005353600000000, -0.0007333500000000 ] - [ 0.0000567800000000, 0.0001633800000000, 0.0002667700000000 ] - [ 0.0001196200000000, -0.0000999900000000, 0.0002671800000000 ] - [ -0.0006783800000000, 0.0003871300000000, 0.0011442300000000 ] - [ -0.0002490000000000, 0.0000076500000000, 0.0006775100000000 ] - [ -0.0001155100000000, 0.0000674100000000, 0.0001261100000000 ] - [ 0.0092976600000000, -0.0031158900000000, -0.0065399600000000 ] - [ -0.0003152800000000, -0.0000655700000000, 0.0001837800000000 ] - [ -0.0001714600000000, -0.0005616700000000, 0.0006482800000000 ] - [ 0.0009581300000000, -0.0006989600000000, -0.0019831000000000 ] - [ -0.0129024100000000, 0.0003110500000000, -0.0512509700000000 ] - [ -0.0001781700000000, 0.0006636200000000, 0.0010959500000000 ] - [ 0.0000530000000000, -0.0001892200000000, -0.0001967300000000 ] - [ 0.0007494900000000, 0.0009082200000000, 0.0017191300000000 ] - [ 0.0006911500000000, -0.0000165200000000, -0.0016790500000000 ] - [ -0.0000314500000000, 0.0000935500000000, 0.0001386600000000 ] - [ 0.0002523500000000, 0.0001102300000000, 0.0007222200000000 ] - [ -0.0000072100000000, -0.0001400800000000, -0.0000646600000000 ] - [ 0.0005351100000000, -0.0007411600000000, 0.0008421300000000 ] - [ -0.0130009600000000, -0.0135234800000000, -0.0321076700000000 ] - [ 0.0137780200000000, 0.0004130400000000, -0.0086892900000000 ] - [ -0.0002237400000000, 0.0001354000000000, 0.0002424400000000 ] - [ -0.0001487800000000, -0.0001437500000000, -0.0000093100000000 ] - [ -0.0009325800000000, 0.0004546200000000, -0.0005739300000000 ] - [ -0.0004970500000000, 0.0001480400000000, 0.0003175200000000 ] - [ 0.0003598500000000, 0.0003486600000000, -0.0003414600000000 ] - [ -0.0002703600000000, -0.0003013900000000, -0.0001661100000000 ] - [ 0.0002913700000000, 0.0000517400000000, 0.0000740400000000 ] - [ 0.0000711800000000, 0.0000117100000000, -0.0001253900000000 ] - [ -0.0000161000000000, -0.0000100400000000, -0.0000634100000000 ] - [ 0.0005941600000000, 0.0006749200000000, -0.0004394100000000 ] - [ 0.0000399000000000, -0.0002180800000000, 0.0000325500000000 ] - [ -0.0001255300000000, -0.0002389200000000, -0.0002462700000000 ] - [ 0.0003403600000000, -0.0000983600000000, 0.0003203100000000 ] - [ 0.0002147500000000, -0.0000432300000000, 0.0000319200000000 ] - [ 0.0000203200000000, -0.0000446300000000, 0.0004863500000000 ] - [ -0.0003593500000000, 0.0003881500000000, -0.0004535700000000 ] - [ -0.0000673900000000, 0.0002103300000000, 0.0002460300000000 ] - [ -0.0001207700000000, -0.0004100000000000, 0.0008485100000000 ] - [ -0.0015577300000000, 0.0007879000000000, -0.0038414500000000 ] - [ 0.0000467900000000, -0.0000208700000000, 0.0000403500000000 ] - [ 0.0003543800000000, 0.0002520700000000, -0.0001159700000000 ] - [ -0.0000085100000000, 0.0002294800000000, 0.0001253700000000 ] - [ -0.0000162400000000, -0.0000957700000000, 0.0001260800000000 ] - [ 0.0000220000000000, 0.0000343400000000, -0.0000189100000000 ] - [ 0.0001366600000000, 0.0001376100000000, -0.0003534000000000 ] - [ 0.0015455800000000, 0.0003303000000000, -0.0008679900000000 ] - [ -0.0022147100000000, -0.0007767500000000, -0.0018586700000000 ] - [ -0.0005751400000000, 0.0003182200000000, -0.0003522900000000 ] - [ -0.0002266200000000, -0.0004364000000000, -0.0003791500000000 ] - [ 0.0001249800000000, 0.0000256100000000, 0.0002509100000000 ] - [ -0.0002368000000000, 0.0001067700000000, -0.0003189300000000 ] - [ 0.0000617700000000, -0.0004427600000000, -0.0001586300000000 ] - [ 0.0000903300000000, -0.0001772400000000, -0.0001269900000000 ] - [ -0.0003058100000000, 0.0005218800000000, -0.0006760700000000 ] - [ 0.0076938800000000, 0.0052867700000000, -0.0089517600000000 ] - [ -0.0045748600000000, -0.0196136800000000, 0.0075522400000000 ] - [ 0.0001743100000000, -0.0007206700000000, -0.0005144600000000 ] - [ 0.0002113700000000, 0.0000568400000000, 0.0001261800000000 ] - [ -0.0000886300000000, -0.0013991000000000, -0.0096659300000000 ] - [ -0.0055678400000000, -0.0133409100000000, 0.1479599100000000 ] - [ -0.0002919800000000, 0.0004496100000000, -0.0017901700000000 ] - [ 0.0004817600000000, 0.0016872200000000, -0.0006118300000000 ] - [ 0.0021090100000000, 0.0158568500000000, -0.0181486200000000 ] - [ -0.0043597300000000, -0.0028073300000000, -0.0018379500000000 ] - [ 0.0002383700000000, -0.0000858200000000, -0.0001165400000000 ] - [ -0.0001674400000000, 0.0002736300000000, -0.0007024100000000 ] - [ 0.0015682300000000, -0.0003826700000000, 0.0014958800000000 ] - [ -0.0004264500000000, -0.0001632500000000, -0.0000943800000000 ] - [ 0.0004121700000000, -0.0002044700000000, 0.0003288400000000 ] - [ 0.0002923600000000, 0.0000827300000000, 0.0002702700000000 ] - [ 0.0000195300000000, -0.0000170000000000, 0.0000417900000000 ]- atom: 79 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0002357300000000, 0.0000519000000000, -0.0000078400000000 ] - [ 0.0001165600000000, 0.0000194400000000, -0.0000824500000000 ] - [ 0.0112666500000000, -0.0076434600000000, 0.0267303500000000 ] - [ -0.0000944700000000, -0.0000341400000000, 0.0000452500000000 ] - [ -0.0001330600000000, -0.0000605800000000, -0.0003025500000000 ] - [ 0.0000495500000000, 0.0001824300000000, 0.0000546500000000 ] - [ -0.0001956200000000, -0.0000827800000000, 0.0000155000000000 ] - [ -0.0001370200000000, 0.0001433700000000, 0.0001150900000000 ] - [ -0.0001202300000000, -0.0003295800000000, -0.0000875600000000 ] - [ 0.0000308300000000, 0.0002777000000000, -0.0000459300000000 ] - [ -0.0001945200000000, 0.0000478300000000, 0.0001875500000000 ] - [ -0.0000248200000000, 0.0000974200000000, 0.0001421200000000 ] - [ -0.0003397800000000, -0.0001403600000000, 0.0000418500000000 ] - [ -0.0001516300000000, 0.0000718000000000, 0.0001807900000000 ] - [ -0.0010468900000000, -0.0001808400000000, 0.0006646400000000 ] - [ -0.0000224300000000, 0.0001834300000000, 0.0000847900000000 ] - [ -0.0000033700000000, -0.0002116600000000, 0.0001105400000000 ] - [ -0.0017767900000000, -0.0003304500000000, 0.0005984200000000 ] - [ 0.0019671400000000, -0.0008593400000000, -0.0005804800000000 ] - [ 0.0000203000000000, -0.0000191100000000, 0.0002836400000000 ] - [ -0.0000042500000000, 0.0001446700000000, 0.0001835500000000 ] - [ -0.0010493500000000, 0.0008070400000000, 0.0004016500000000 ] - [ 0.0000751400000000, -0.0006233300000000, 0.0001131800000000 ] - [ 0.0004436800000000, 0.0012762900000000, 0.0003182300000000 ] - [ 0.0413311400000000, 0.0189258500000000, -0.0182500400000000 ] - [ 0.0000423800000000, 0.0000402700000000, -0.0001414700000000 ] - [ 0.0000609000000000, -0.0003463000000000, 0.0003998700000000 ] - [ -0.0009169100000000, -0.0001410300000000, -0.0003027400000000 ] - [ 0.0070665200000000, -0.0057178400000000, -0.0019332100000000 ] - [ 0.0000471600000000, 0.0000624700000000, -0.0002169900000000 ] - [ 0.0000309900000000, 0.0001251600000000, 0.0002367700000000 ] - [ -0.0008773800000000, 0.0001297900000000, -0.0000761300000000 ] - [ -0.0000016200000000, 0.0002119700000000, -0.0000864200000000 ] - [ 0.0007761200000000, 0.0003798600000000, 0.0008292900000000 ] - [ 0.0098072000000000, -0.0159792700000000, -0.0010685800000000 ] - [ 0.0002348300000000, 0.0004472600000000, -0.0002223800000000 ] - [ 0.0001630300000000, 0.0002821500000000, -0.0002507800000000 ] - [ 0.0015341000000000, -0.0010539800000000, -0.0004124700000000 ] - [ 0.0410059800000000, 0.0093000700000000, -0.0004834600000000 ] - [ -0.0000086500000000, 0.0000720300000000, -0.0000217100000000 ] - [ -0.0000945000000000, 0.0000207300000000, 0.0000399600000000 ] - [ -0.0000249300000000, 0.0000215600000000, -0.0002418900000000 ] - [ -0.0004346500000000, 0.0000596500000000, -0.0006714900000000 ] - [ 0.0003946100000000, 0.0000808700000000, 0.0000962100000000 ] - [ 0.0000090300000000, -0.0000097800000000, -0.0001798900000000 ] - [ -0.0003297400000000, -0.0005543400000000, 0.0001304200000000 ] - [ 0.0000072400000000, 0.0002545200000000, -0.0001499600000000 ] - [ -0.0002626200000000, 0.0001597300000000, 0.0000846500000000 ] - [ -0.0006109700000000, -0.0004882800000000, -0.0008811800000000 ] - [ 0.0001301900000000, 0.0001197800000000, -0.0000054500000000 ] - [ -0.0003239300000000, -0.0000465000000000, -0.0002651100000000 ] - [ 0.0001251100000000, 0.0000218600000000, 0.0001030000000000 ] - [ -0.0005280900000000, 0.0001341100000000, 0.0000702500000000 ] - [ -0.0002731800000000, -0.0000508900000000, 0.0002949700000000 ] - [ 0.0000184700000000, -0.0002720400000000, 0.0002874000000000 ] - [ 0.0036719100000000, 0.0015945600000000, 0.0005885800000000 ] - [ 0.0004867600000000, 0.0002047300000000, 0.0003545400000000 ] - [ 0.0000930500000000, -0.0000383700000000, -0.0000653500000000 ] - [ -0.0000854600000000, 0.0001709000000000, 0.0001102500000000 ] - [ -0.0000407700000000, -0.0001561600000000, 0.0001012500000000 ] - [ -0.0012592700000000, 0.0024026900000000, 0.0010909600000000 ] - [ -0.0001270500000000, -0.0000587300000000, 0.0000128900000000 ] - [ 0.0008416000000000, -0.0015224300000000, 0.0003120200000000 ] - [ -0.0000988400000000, 0.0001934800000000, 0.0001337400000000 ] - [ 0.0004456600000000, 0.0001713100000000, -0.0000290600000000 ] - [ -0.0000702600000000, -0.0002617700000000, -0.0003668800000000 ] - [ 0.0018081500000000, 0.0003280400000000, 0.0003507300000000 ] - [ -0.0000561100000000, -0.0000640900000000, -0.0000558400000000 ] - [ 0.0003150000000000, 0.0002149500000000, 0.0001220200000000 ] - [ 0.0005551300000000, -0.0002200200000000, -0.0009412300000000 ] - [ 0.0210044700000000, -0.0039376100000000, 0.0213662500000000 ] - [ 0.0001500300000000, 0.0004790600000000, -0.0001435700000000 ] - [ 0.0002590400000000, 0.0001404500000000, -0.0003307900000000 ] - [ 0.0093924400000000, 0.0004641900000000, -0.0017188400000000 ] - [ 0.0084954400000000, -0.0065361300000000, 0.0051221300000000 ] - [ 0.0002448300000000, -0.0000510700000000, -0.0002076200000000 ] - [ -0.0018247100000000, -0.0016606700000000, -0.0004318600000000 ] - [ 0.0022850500000000, 0.0040757500000000, -0.0020727800000000 ] - [ -0.1506291000000000, 0.0015889400000000, -0.0155371000000000 ] - [ -0.0001977000000000, -0.0003782800000000, 0.0000855400000000 ] - [ -0.0001340900000000, -0.0002879000000000, -0.0000899200000000 ] - [ -0.0032028900000000, 0.0044472900000000, -0.0152017200000000 ] - [ -0.0003329000000000, -0.0003534900000000, -0.0002406300000000 ] - [ 0.0005415300000000, -0.0003597600000000, 0.0013854900000000 ] - [ -0.0002269700000000, -0.0001212300000000, 0.0000634600000000 ] - [ 0.0001035600000000, 0.0003536800000000, 0.0001936000000000 ] - [ 0.0005261900000000, 0.0002651000000000, 0.0005247900000000 ] - [ 0.0000571300000000, -0.0000645500000000, -0.0003614700000000 ]- atom: 79 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ -0.0000940200000000, -0.0000712700000000, -0.0001291400000000 ] - [ 0.0000244100000000, -0.0000002600000000, -0.0000545900000000 ] - [ -0.0115941900000000, 0.0077055300000000, -0.0263208000000000 ] - [ -0.0001640800000000, -0.0001390000000000, 0.0000229400000000 ] - [ 0.0002561100000000, -0.0002733600000000, 0.0002763400000000 ] - [ 0.0000723000000000, 0.0001515200000000, -0.0000831800000000 ] - [ 0.0000183600000000, -0.0000859000000000, -0.0000022100000000 ] - [ -0.0000416000000000, 0.0000253500000000, -0.0001006700000000 ] - [ 0.0002610400000000, -0.0002444300000000, -0.0000330900000000 ] - [ 0.0001105000000000, 0.0002965700000000, -0.0000754900000000 ] - [ 0.0002463500000000, -0.0003210300000000, 0.0000608100000000 ] - [ 0.0000767400000000, 0.0001756000000000, 0.0001053400000000 ] - [ 0.0002315100000000, -0.0000310300000000, 0.0002621200000000 ] - [ 0.0000420900000000, 0.0000992000000000, 0.0001237100000000 ] - [ 0.0011159300000000, -0.0001761700000000, -0.0004921300000000 ] - [ 0.0000965100000000, 0.0001749600000000, 0.0000839400000000 ] - [ -0.0000253100000000, -0.0001944900000000, 0.0000231900000000 ] - [ 0.0017063200000000, 0.0007178500000000, -0.0004464900000000 ] - [ -0.0017988900000000, 0.0008253000000000, 0.0010671000000000 ] - [ 0.0001106000000000, 0.0000217600000000, 0.0002044100000000 ] - [ -0.0001685100000000, -0.0001228300000000, -0.0000402200000000 ] - [ 0.0008740400000000, -0.0008322700000000, -0.0002582900000000 ] - [ -0.0004737100000000, 0.0002146400000000, -0.0000741700000000 ] - [ -0.0008543800000000, -0.0008598400000000, -0.0002818400000000 ] - [ -0.0394761500000000, -0.0181063400000000, 0.0171952400000000 ] - [ -0.0000728100000000, 0.0001202000000000, -0.0001266100000000 ] - [ -0.0002250200000000, 0.0001157900000000, -0.0003348600000000 ] - [ 0.0007451600000000, 0.0003815800000000, 0.0003627100000000 ] - [ -0.0069901500000000, 0.0058856100000000, 0.0016463800000000 ] - [ 0.0000847200000000, -0.0001560700000000, -0.0000946400000000 ] - [ -0.0000904600000000, -0.0002989100000000, -0.0002010400000000 ] - [ 0.0008208700000000, 0.0000456400000000, 0.0001101000000000 ] - [ -0.0000032500000000, 0.0000030900000000, -0.0000342300000000 ] - [ -0.0007866000000000, -0.0005851100000000, -0.0009665100000000 ] - [ -0.0096052700000000, 0.0162967200000000, 0.0011760700000000 ] - [ -0.0001342500000000, -0.0007099500000000, 0.0003511900000000 ] - [ -0.0002320000000000, -0.0002862200000000, 0.0000234300000000 ] - [ -0.0016155700000000, 0.0010720000000000, 0.0001977600000000 ] - [ -0.0429054100000000, -0.0101242900000000, 0.0008466900000000 ] - [ -0.0001274400000000, -0.0000126300000000, -0.0000405900000000 ] - [ 0.0000184800000000, -0.0000949500000000, -0.0000703100000000 ] - [ -0.0000540900000000, 0.0000511400000000, 0.0002124600000000 ] - [ 0.0009484200000000, -0.0001327400000000, 0.0006843400000000 ] - [ 0.0001116800000000, -0.0000108600000000, -0.0000928400000000 ] - [ -0.0000061200000000, 0.0001071100000000, 0.0000274300000000 ] - [ 0.0003358100000000, 0.0004623000000000, -0.0002863200000000 ] - [ 0.0000737600000000, 0.0001564500000000, 0.0000241800000000 ] - [ 0.0003489900000000, -0.0005752100000000, -0.0002119200000000 ] - [ 0.0009001900000000, 0.0002819500000000, 0.0008121100000000 ] - [ 0.0001525900000000, 0.0000875900000000, -0.0000707300000000 ] - [ 0.0006580200000000, 0.0000270500000000, 0.0004195600000000 ] - [ 0.0001921300000000, 0.0000024100000000, 0.0000592700000000 ] - [ 0.0002544000000000, -0.0002119400000000, 0.0001524700000000 ] - [ -0.0000047900000000, 0.0001215600000000, -0.0000698900000000 ] - [ -0.0001297700000000, 0.0001689700000000, -0.0002790800000000 ] - [ -0.0038398500000000, -0.0014730600000000, -0.0006321300000000 ] - [ -0.0003455100000000, -0.0002666300000000, -0.0003721900000000 ] - [ 0.0000444300000000, 0.0001035200000000, 0.0000466200000000 ] - [ -0.0000195900000000, 0.0001362200000000, 0.0001220100000000 ] - [ -0.0000654200000000, -0.0001508600000000, 0.0001312800000000 ] - [ 0.0014387700000000, -0.0027451600000000, -0.0013166000000000 ] - [ 0.0002976700000000, 0.0003680600000000, -0.0002259000000000 ] - [ -0.0008820500000000, 0.0013345600000000, -0.0004626200000000 ] - [ 0.0000592200000000, 0.0000066900000000, -0.0002794200000000 ] - [ -0.0007841600000000, 0.0000409300000000, -0.0003543800000000 ] - [ -0.0002634600000000, 0.0000485000000000, -0.0000137500000000 ] - [ -0.0020011900000000, -0.0001688200000000, -0.0003763700000000 ] - [ -0.0001317700000000, -0.0000933900000000, 0.0000254700000000 ] - [ -0.0002488800000000, -0.0000702500000000, -0.0002476500000000 ] - [ -0.0004863600000000, 0.0000726000000000, 0.0008136600000000 ] - [ -0.0203509900000000, 0.0040292100000000, -0.0211177000000000 ] - [ -0.0001207400000000, -0.0005124500000000, 0.0000724600000000 ] - [ -0.0000606100000000, -0.0001660700000000, 0.0003639700000000 ] - [ -0.0091539700000000, -0.0004390000000000, 0.0017776300000000 ] - [ -0.0081190800000000, 0.0065319000000000, -0.0052310700000000 ] - [ 0.0000749800000000, -0.0000072700000000, 0.0000166400000000 ] - [ 0.0016182900000000, 0.0014038600000000, 0.0005327700000000 ] - [ -0.0024739300000000, -0.0038774900000000, 0.0021638000000000 ] - [ 0.1499527200000000, -0.0015347000000000, 0.0151866000000000 ] - [ 0.0002101600000000, 0.0002164200000000, -0.0000214700000000 ] - [ 0.0002911100000000, 0.0001870200000000, -0.0000121700000000 ] - [ 0.0032753300000000, -0.0044038100000000, 0.0151893400000000 ] - [ 0.0001339500000000, 0.0004179600000000, 0.0002931400000000 ] - [ -0.0007312400000000, 0.0003121700000000, -0.0013508200000000 ] - [ 0.0001680700000000, -0.0000733300000000, 0.0000129000000000 ] - [ -0.0001646400000000, -0.0001615400000000, -0.0001164500000000 ] - [ -0.0005059500000000, -0.0003060900000000, -0.0003846000000000 ] - [ -0.0000295100000000, 0.0001019400000000, 0.0005075900000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001790100000000, -0.0000596000000000, -0.0000843500000000 ] - [ 0.0000221900000000, 0.0000730900000000, -0.0000932500000000 ] - [ -0.0076965700000000, 0.0055435000000000, -0.0176812600000000 ] - [ -0.0000828900000000, 0.0000965800000000, 0.0000179100000000 ] - [ -0.0000117100000000, -0.0000483500000000, -0.0002099300000000 ] - [ 0.0000429600000000, 0.0001354200000000, 0.0000126900000000 ] - [ -0.0000331200000000, -0.0001700200000000, 0.0000679800000000 ] - [ -0.0000505500000000, 0.0001450200000000, 0.0001008200000000 ] - [ 0.0000100500000000, -0.0003437800000000, -0.0000715600000000 ] - [ 0.0000519500000000, 0.0002000500000000, -0.0000668100000000 ] - [ -0.0000136200000000, -0.0000136500000000, 0.0001375500000000 ] - [ 0.0001295600000000, 0.0001868100000000, 0.0000540100000000 ] - [ 0.0000479700000000, -0.0001396600000000, 0.0001486500000000 ] - [ 0.0000528400000000, 0.0000947200000000, 0.0002172500000000 ] - [ -0.0000162800000000, -0.0000951500000000, 0.0002300700000000 ] - [ 0.0000477200000000, 0.0001740300000000, 0.0000827800000000 ] - [ 0.0000301300000000, -0.0003428200000000, 0.0001372100000000 ] - [ 0.0002198400000000, -0.0004343000000000, 0.0000429300000000 ] - [ -0.0011054800000000, 0.0004705800000000, 0.0003421500000000 ] - [ 0.0000687800000000, -0.0001295600000000, 0.0002228100000000 ] - [ -0.0004344300000000, -0.0009844700000000, -0.0003826000000000 ] - [ 0.0000283900000000, -0.0017856700000000, -0.0006155800000000 ] - [ -0.0002636700000000, -0.0005251300000000, 0.0002052900000000 ] - [ 0.0007148600000000, 0.0024591800000000, -0.0005816700000000 ] - [ 0.0184866200000000, 0.0142181000000000, -0.0130096200000000 ] - [ -0.0000920100000000, 0.0000996300000000, -0.0000357100000000 ] - [ -0.0002205200000000, -0.0010401300000000, 0.0010056300000000 ] - [ 0.0004558200000000, -0.0013983300000000, 0.0004790100000000 ] - [ -0.0082311400000000, 0.0328089700000000, 0.0184504900000000 ] - [ 0.0000537300000000, -0.0001672100000000, -0.0002318500000000 ] - [ 0.0002719600000000, -0.0010271500000000, -0.0006698900000000 ] - [ -0.0008713000000000, -0.0008676300000000, 0.0001967200000000 ] - [ 0.0000739000000000, -0.0002781100000000, -0.0001177000000000 ] - [ 0.0009625100000000, 0.0016945600000000, 0.0004840900000000 ] - [ -0.0143385500000000, 0.0451545000000000, 0.0088211900000000 ] - [ -0.0000023900000000, -0.0003658200000000, 0.0002741500000000 ] - [ -0.0001858500000000, -0.0003785100000000, 0.0001568300000000 ] - [ -0.0008688600000000, 0.0005020700000000, -0.0002473800000000 ] - [ 0.0101192200000000, 0.0074331600000000, -0.0018276300000000 ] - [ -0.0001258800000000, -0.0000789800000000, -0.0000956500000000 ] - [ 0.0004245200000000, -0.0004322600000000, -0.0001979400000000 ] - [ 0.0002169700000000, 0.0002224200000000, 0.0001494300000000 ] - [ -0.0005282300000000, 0.0005438200000000, -0.0007070100000000 ] - [ 0.0001761700000000, -0.0000697900000000, -0.0000724700000000 ] - [ -0.0000421600000000, 0.0000861300000000, -0.0000990900000000 ] - [ -0.0002231700000000, -0.0004129800000000, 0.0000920400000000 ] - [ 0.0002921100000000, 0.0003916600000000, -0.0000013900000000 ] - [ 0.0007916400000000, -0.0007602200000000, -0.0003447800000000 ] - [ 0.0004891800000000, 0.0001180900000000, -0.0000894200000000 ] - [ 0.0001669700000000, 0.0000809100000000, -0.0000854600000000 ] - [ 0.0000171100000000, -0.0002625900000000, -0.0004008700000000 ] - [ 0.0001429600000000, 0.0000239400000000, 0.0001039100000000 ] - [ 0.0002571500000000, -0.0004716000000000, 0.0005835200000000 ] - [ -0.0002261800000000, -0.0001042000000000, -0.0001069100000000 ] - [ -0.0004084500000000, -0.0002566200000000, -0.0007915300000000 ] - [ 0.0016131600000000, 0.0037432300000000, -0.0002924200000000 ] - [ -0.0000930000000000, -0.0004136900000000, 0.0001385200000000 ] - [ -0.0000080100000000, -0.0000874800000000, -0.0000695100000000 ] - [ 0.0000450300000000, 0.0000667800000000, 0.0000634600000000 ] - [ -0.0000719600000000, -0.0001849000000000, 0.0002182200000000 ] - [ 0.0028856800000000, 0.0026837700000000, -0.0001190900000000 ] - [ 0.0001174500000000, 0.0002495400000000, -0.0000895700000000 ] - [ -0.0026414300000000, 0.0011807400000000, -0.0014953100000000 ] - [ -0.0000042000000000, -0.0000549700000000, -0.0002702900000000 ] - [ -0.0006632200000000, 0.0002336400000000, -0.0002205000000000 ] - [ -0.0003144200000000, -0.0002010800000000, -0.0004250600000000 ] - [ 0.0001516700000000, -0.0000353800000000, 0.0002111000000000 ] - [ -0.0000974400000000, -0.0001975000000000, -0.0000361100000000 ] - [ -0.0001212900000000, 0.0001470200000000, -0.0001941400000000 ] - [ 0.0000973300000000, 0.0000201400000000, -0.0001833700000000 ] - [ 0.0010466500000000, 0.0007755300000000, 0.0088729900000000 ] - [ 0.0000536700000000, 0.0000823900000000, -0.0002398800000000 ] - [ -0.0000284300000000, 0.0018814100000000, -0.0003564900000000 ] - [ 0.0004461000000000, 0.0096926000000000, 0.0011945000000000 ] - [ -0.0084965600000000, 0.0146663600000000, -0.0167011100000000 ] - [ 0.0003101200000000, 0.0004647200000000, 0.0006798200000000 ] - [ -0.0002847200000000, 0.0010030100000000, -0.0015748900000000 ] - [ 0.0058014800000000, -0.0003917400000000, 0.0159081700000000 ] - [ 0.0015431000000000, -0.1436476900000000, 0.0083610900000000 ] - [ 0.0003036200000000, -0.0000619200000000, 0.0003051600000000 ] - [ 0.0003201800000000, 0.0006499400000000, 0.0005113700000000 ] - [ 0.0010441300000000, 0.0083337200000000, -0.0090364100000000 ] - [ -0.0002461300000000, 0.0006420400000000, 0.0006597900000000 ] - [ -0.0022416100000000, -0.0016913900000000, 0.0000821000000000 ] - [ -0.0000718200000000, -0.0001798400000000, -0.0001816500000000 ] - [ -0.0002506500000000, 0.0005458800000000, 0.0000105500000000 ] - [ 0.0006623300000000, 0.0002876600000000, 0.0003900900000000 ] - [ 0.0002214300000000, 0.0002848500000000, -0.0000189300000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000380600000000, 0.0000396600000000, -0.0000518000000000 ] - [ 0.0001175500000000, -0.0000527000000000, -0.0000427000000000 ] - [ 0.0074791100000000, -0.0052669300000000, 0.0178503400000000 ] - [ -0.0001754600000000, -0.0002687600000000, 0.0000521500000000 ] - [ 0.0001336600000000, -0.0002893200000000, 0.0001833300000000 ] - [ 0.0000782300000000, 0.0002024400000000, -0.0000391200000000 ] - [ -0.0001437700000000, 0.0000019900000000, -0.0000557100000000 ] - [ -0.0001283000000000, 0.0000228000000000, -0.0000878300000000 ] - [ 0.0001284500000000, -0.0002318300000000, -0.0000490500000000 ] - [ 0.0000864800000000, 0.0003750100000000, -0.0000543500000000 ] - [ 0.0000631000000000, -0.0002568100000000, 0.0001112900000000 ] - [ -0.0000796000000000, 0.0000834800000000, 0.0001944400000000 ] - [ -0.0001543800000000, -0.0000334900000000, 0.0001543800000000 ] - [ -0.0001618800000000, 0.0000775200000000, 0.0000853900000000 ] - [ 0.0000870800000000, -0.0002639500000000, -0.0000583700000000 ] - [ 0.0000254700000000, 0.0001847300000000, 0.0000890400000000 ] - [ -0.0000559700000000, -0.0000634300000000, 0.0000005900000000 ] - [ -0.0002402000000000, 0.0008429800000000, 0.0000877000000000 ] - [ 0.0012437600000000, -0.0004583500000000, 0.0001320300000000 ] - [ 0.0000632500000000, 0.0001348400000000, 0.0002628200000000 ] - [ 0.0002641300000000, 0.0010112400000000, 0.0005289900000000 ] - [ -0.0002038200000000, 0.0017937300000000, 0.0007770800000000 ] - [ -0.0001330500000000, 0.0001194400000000, -0.0001672100000000 ] - [ -0.0010895300000000, -0.0020307800000000, 0.0006310700000000 ] - [ -0.0182619500000000, -0.0144178000000000, 0.0126180500000000 ] - [ 0.0000616900000000, 0.0000601300000000, -0.0002329200000000 ] - [ 0.0000532700000000, 0.0008075600000000, -0.0009336000000000 ] - [ -0.0006199100000000, 0.0016180700000000, -0.0004200800000000 ] - [ 0.0088472700000000, -0.0343970200000000, -0.0196564500000000 ] - [ 0.0000758500000000, 0.0000774300000000, -0.0000782500000000 ] - [ -0.0003352400000000, 0.0008617500000000, 0.0007092700000000 ] - [ 0.0008096700000000, 0.0010413800000000, -0.0001600400000000 ] - [ -0.0000833600000000, 0.0004964600000000, -0.0000047200000000 ] - [ -0.0009933100000000, -0.0019605800000000, -0.0005874700000000 ] - [ 0.0137255500000000, -0.0429786100000000, -0.0079285500000000 ] - [ 0.0000998600000000, 0.0001058400000000, -0.0001494500000000 ] - [ 0.0001151100000000, 0.0003702800000000, -0.0003785000000000 ] - [ 0.0007999800000000, -0.0004920500000000, 0.0000013000000000 ] - [ -0.0103521400000000, -0.0074916300000000, 0.0017749300000000 ] - [ -0.0000107700000000, 0.0001410400000000, 0.0000287800000000 ] - [ -0.0004981600000000, 0.0003536800000000, 0.0001625900000000 ] - [ -0.0002935900000000, -0.0001458500000000, -0.0001823200000000 ] - [ 0.0010420800000000, -0.0006160900000000, 0.0007171100000000 ] - [ 0.0003275400000000, 0.0001399900000000, 0.0000772800000000 ] - [ 0.0000484200000000, 0.0000112300000000, -0.0000560900000000 ] - [ 0.0002292200000000, 0.0003156200000000, -0.0002487500000000 ] - [ -0.0002052000000000, 0.0000223700000000, -0.0001270200000000 ] - [ -0.0006947100000000, 0.0003377300000000, 0.0002136500000000 ] - [ -0.0002022100000000, -0.0003217700000000, 0.0000154500000000 ] - [ 0.0001180000000000, 0.0001227700000000, 0.0000097800000000 ] - [ 0.0002999400000000, 0.0002430600000000, 0.0005635500000000 ] - [ 0.0001725400000000, -0.0000011900000000, 0.0000575800000000 ] - [ -0.0005270000000000, 0.0003918100000000, -0.0003662100000000 ] - [ -0.0000488800000000, 0.0001740800000000, 0.0003323500000000 ] - [ 0.0002960900000000, 0.0001561200000000, 0.0008059900000000 ] - [ -0.0017424500000000, -0.0035734600000000, 0.0002464100000000 ] - [ 0.0002254700000000, 0.0003466200000000, -0.0001511800000000 ] - [ 0.0001468700000000, 0.0001540800000000, 0.0000526500000000 ] - [ -0.0001483900000000, 0.0002378000000000, 0.0001701700000000 ] - [ -0.0000326700000000, -0.0001212100000000, 0.0000165200000000 ] - [ -0.0027458100000000, -0.0030200800000000, -0.0000894800000000 ] - [ 0.0000514100000000, 0.0000619500000000, -0.0001257300000000 ] - [ 0.0025782600000000, -0.0013676300000000, 0.0013334500000000 ] - [ -0.0000341400000000, 0.0002578100000000, 0.0001249400000000 ] - [ 0.0003238200000000, -0.0000180200000000, -0.0001633300000000 ] - [ -0.0000188800000000, -0.0000101000000000, 0.0000423300000000 ] - [ -0.0003405800000000, 0.0001949800000000, -0.0002375400000000 ] - [ -0.0000917000000000, 0.0000376100000000, 0.0000062100000000 ] - [ 0.0001870300000000, -0.0000024700000000, 0.0000655500000000 ] - [ -0.0000259800000000, -0.0001675900000000, 0.0000556700000000 ] - [ -0.0010534700000000, -0.0007507900000000, -0.0089298900000000 ] - [ -0.0000224100000000, -0.0001181100000000, 0.0001707300000000 ] - [ 0.0002309200000000, -0.0018996500000000, 0.0003923900000000 ] - [ -0.0002337800000000, -0.0096913700000000, -0.0011373300000000 ] - [ 0.0090185800000000, -0.0150243300000000, 0.0166789000000000 ] - [ 0.0000090000000000, -0.0005250300000000, -0.0008774200000000 ] - [ 0.0000768800000000, -0.0012702600000000, 0.0016601800000000 ] - [ -0.0060011400000000, 0.0007593800000000, -0.0156818300000000 ] - [ -0.0016228600000000, 0.1438352400000000, -0.0085122700000000 ] - [ -0.0002928400000000, -0.0001024100000000, -0.0002443800000000 ] - [ -0.0001624900000000, -0.0007490400000000, -0.0006143700000000 ] - [ -0.0008965600000000, -0.0083008900000000, 0.0090299000000000 ] - [ 0.0000431600000000, -0.0005710100000000, -0.0006032600000000 ] - [ 0.0020336100000000, 0.0016375700000000, -0.0000314600000000 ] - [ 0.0000131600000000, -0.0000156500000000, 0.0002566700000000 ] - [ 0.0001903100000000, -0.0003506100000000, 0.0000686600000000 ] - [ -0.0006366000000000, -0.0003264100000000, -0.0002471100000000 ] - [ -0.0001876400000000, -0.0002462400000000, 0.0001634800000000 ]- atom: 79 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000836600000000, -0.0000616100000000, -0.0000161300000000 ] - [ 0.0000604900000000, 0.0000033100000000, -0.0000818500000000 ] - [ 0.0274468800000000, -0.0187136000000000, 0.0648692300000000 ] - [ -0.0001077400000000, -0.0001314600000000, 0.0001101500000000 ] - [ 0.0000298800000000, -0.0002862200000000, 0.0003839900000000 ] - [ 0.0000857200000000, 0.0001562500000000, -0.0001935000000000 ] - [ -0.0001142300000000, -0.0001161500000000, 0.0001496000000000 ] - [ -0.0001286700000000, -0.0000891600000000, -0.0003660100000000 ] - [ 0.0000056200000000, -0.0004205200000000, -0.0000751300000000 ] - [ -0.0000076300000000, 0.0004342700000000, -0.0000513400000000 ] - [ 0.0000097500000000, -0.0001028800000000, 0.0001772900000000 ] - [ 0.0000043800000000, 0.0001056000000000, 0.0001029300000000 ] - [ -0.0000516200000000, -0.0000391800000000, 0.0002015700000000 ] - [ -0.0001819700000000, 0.0001424500000000, 0.0000284300000000 ] - [ 0.0002978700000000, -0.0001530700000000, 0.0000063200000000 ] - [ 0.0000099000000000, 0.0002114900000000, 0.0000414200000000 ] - [ 0.0001130300000000, -0.0001856900000000, 0.0001706000000000 ] - [ -0.0011963100000000, -0.0003609400000000, -0.0002041100000000 ] - [ -0.0002581000000000, -0.0003385700000000, 0.0019804000000000 ] - [ 0.0002244700000000, 0.0000679400000000, 0.0001132900000000 ] - [ -0.0001610900000000, -0.0001311900000000, 0.0000332900000000 ] - [ -0.0005089400000000, 0.0010559300000000, -0.0003348500000000 ] - [ -0.0000427600000000, 0.0001604000000000, -0.0001174600000000 ] - [ 0.0005777400000000, 0.0005148400000000, 0.0015524100000000 ] - [ -0.0171596600000000, -0.0129477600000000, 0.0216061800000000 ] - [ 0.0000494700000000, -0.0000011200000000, -0.0004309900000000 ] - [ 0.0000563000000000, 0.0000585400000000, 0.0004602000000000 ] - [ 0.0006805800000000, -0.0017910400000000, -0.0009980100000000 ] - [ -0.0024332700000000, 0.0195265600000000, 0.0241445800000000 ] - [ -0.0000070800000000, 0.0001713700000000, -0.0005642200000000 ] - [ -0.0000155300000000, -0.0003131800000000, -0.0000288300000000 ] - [ 0.0015680500000000, 0.0008563500000000, -0.0013018200000000 ] - [ -0.0000013900000000, 0.0001396500000000, -0.0001967100000000 ] - [ 0.0002361400000000, -0.0007530600000000, 0.0016367100000000 ] - [ 0.0009963500000000, 0.0063063600000000, 0.0118137000000000 ] - [ 0.0002250400000000, 0.0006687100000000, -0.0006311300000000 ] - [ 0.0000177400000000, 0.0008695600000000, -0.0002989300000000 ] - [ -0.0008424700000000, 0.0000812400000000, 0.0014447200000000 ] - [ 0.0013967800000000, -0.0009480600000000, 0.0090269000000000 ] - [ -0.0001637700000000, 0.0000800100000000, -0.0002030700000000 ] - [ 0.0002214000000000, -0.0002446800000000, 0.0000289900000000 ] - [ -0.0002846700000000, -0.0001238200000000, -0.0003713200000000 ] - [ -0.0002337500000000, -0.0002543000000000, 0.0000309300000000 ] - [ 0.0002717900000000, 0.0000138300000000, -0.0000476500000000 ] - [ 0.0000220500000000, -0.0000175100000000, -0.0002242200000000 ] - [ 0.0001254400000000, 0.0001103200000000, -0.0000587800000000 ] - [ -0.0004058200000000, 0.0001493700000000, -0.0003163800000000 ] - [ 0.0003994900000000, -0.0004629600000000, -0.0001053900000000 ] - [ -0.0005069800000000, -0.0001887000000000, 0.0003012800000000 ] - [ 0.0001743800000000, 0.0001602200000000, -0.0002224600000000 ] - [ 0.0002140100000000, -0.0002369600000000, 0.0007977000000000 ] - [ 0.0002594100000000, 0.0000882900000000, -0.0001024900000000 ] - [ -0.0000414200000000, 0.0006352800000000, 0.0010407100000000 ] - [ 0.0000131000000000, -0.0000575300000000, 0.0002630300000000 ] - [ 0.0000811200000000, -0.0003799100000000, -0.0002677900000000 ] - [ -0.0003330900000000, -0.0000522600000000, 0.0062270100000000 ] - [ 0.0006182200000000, -0.0000314700000000, -0.0004684200000000 ] - [ -0.0000481900000000, -0.0000415200000000, 0.0001804800000000 ] - [ -0.0001027900000000, 0.0001903000000000, 0.0003416700000000 ] - [ 0.0000079700000000, -0.0000752200000000, -0.0001922000000000 ] - [ 0.0014196700000000, -0.0000045400000000, -0.0012816300000000 ] - [ 0.0000561300000000, -0.0000430300000000, 0.0003298300000000 ] - [ -0.0002512800000000, -0.0005573800000000, -0.0021731600000000 ] - [ -0.0000526800000000, 0.0001426400000000, 0.0006453600000000 ] - [ -0.0003756400000000, 0.0003212300000000, -0.0004216700000000 ] - [ -0.0000238300000000, -0.0002108600000000, 0.0001582000000000 ] - [ -0.0004240000000000, -0.0001164000000000, -0.0008821700000000 ] - [ -0.0000729400000000, -0.0001117900000000, 0.0004400500000000 ] - [ 0.0002056700000000, -0.0001190100000000, -0.0000946700000000 ] - [ -0.0002135700000000, -0.0000221600000000, 0.0004200200000000 ] - [ 0.0094382500000000, 0.0056961100000000, -0.0020534900000000 ] - [ -0.0002532500000000, 0.0000038500000000, 0.0002271400000000 ] - [ -0.0002596900000000, 0.0002469000000000, -0.0011353900000000 ] - [ -0.0011881600000000, 0.0013482400000000, 0.0070543400000000 ] - [ 0.0012080300000000, -0.0074455700000000, -0.0052092800000000 ] - [ 0.0002203000000000, 0.0001856000000000, 0.0003784000000000 ] - [ -0.0021174300000000, -0.0038542200000000, 0.0006841700000000 ] - [ 0.0009826700000000, 0.0078459400000000, 0.0182439500000000 ] - [ -0.0159741500000000, 0.0089607300000000, -0.1743279900000000 ] - [ 0.0000581000000000, -0.0003556800000000, 0.0009258200000000 ] - [ 0.0002582600000000, -0.0001346200000000, 0.0001264400000000 ] - [ -0.0070920700000000, -0.0067032700000000, 0.0153289300000000 ] - [ -0.0003368300000000, 0.0003021400000000, 0.0003120700000000 ] - [ 0.0035757100000000, 0.0016798600000000, 0.0010828300000000 ] - [ -0.0000210300000000, 0.0000590700000000, 0.0009562500000000 ] - [ -0.0002031800000000, 0.0000123000000000, -0.0005169600000000 ] - [ 0.0001994500000000, 0.0002087700000000, -0.0002129900000000 ] - [ -0.0000077700000000, -0.0002419400000000, 0.0002010400000000 ]- atom: 79 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000601300000000, 0.0000436100000000, -0.0001205600000000 ] - [ 0.0000825500000000, 0.0000156800000000, -0.0000557000000000 ] - [ -0.0266459100000000, 0.0180994400000000, -0.0626620000000000 ] - [ -0.0001516700000000, -0.0000424100000000, -0.0000413200000000 ] - [ 0.0000916200000000, -0.0000473100000000, -0.0004123500000000 ] - [ 0.0000359100000000, 0.0001775700000000, 0.0001650800000000 ] - [ -0.0000648800000000, -0.0000521000000000, -0.0001371200000000 ] - [ -0.0000492500000000, 0.0002589100000000, 0.0003813900000000 ] - [ 0.0001359600000000, -0.0001536900000000, -0.0000455500000000 ] - [ 0.0001471800000000, 0.0001396600000000, -0.0000709100000000 ] - [ 0.0000423100000000, -0.0001698000000000, 0.0000706900000000 ] - [ 0.0000469000000000, 0.0001661700000000, 0.0001447200000000 ] - [ -0.0000592200000000, -0.0001324100000000, 0.0001013900000000 ] - [ 0.0000744300000000, 0.0000285900000000, 0.0002760500000000 ] - [ -0.0002254500000000, -0.0002047100000000, 0.0001642800000000 ] - [ 0.0000638100000000, 0.0001469200000000, 0.0001266900000000 ] - [ -0.0001418500000000, -0.0002197900000000, -0.0000364800000000 ] - [ 0.0011882200000000, 0.0007783500000000, 0.0003216700000000 ] - [ 0.0003791900000000, 0.0003392800000000, -0.0014919500000000 ] - [ -0.0000940900000000, -0.0000659100000000, 0.0003755400000000 ] - [ -0.0000109200000000, 0.0001563400000000, 0.0001142900000000 ] - [ 0.0003432100000000, -0.0011019500000000, 0.0004628300000000 ] - [ -0.0003569000000000, -0.0005676000000000, 0.0001557100000000 ] - [ -0.0009629300000000, -0.0001188800000000, -0.0015243900000000 ] - [ 0.0172950700000000, 0.0129067800000000, -0.0218244600000000 ] - [ -0.0000798400000000, 0.0001619800000000, 0.0001643500000000 ] - [ -0.0002225500000000, -0.0002861300000000, -0.0003985300000000 ] - [ -0.0008366000000000, 0.0020040300000000, 0.0010615300000000 ] - [ 0.0026415900000000, -0.0198124900000000, -0.0245190200000000 ] - [ 0.0001397600000000, -0.0002654200000000, 0.0002545300000000 ] - [ -0.0000437800000000, 0.0001409400000000, 0.0000666300000000 ] - [ -0.0016273100000000, -0.0006897000000000, 0.0013418100000000 ] - [ -0.0000032400000000, 0.0000741600000000, 0.0000778200000000 ] - [ -0.0002286900000000, 0.0005378400000000, -0.0017662600000000 ] - [ -0.0009555400000000, -0.0058873000000000, -0.0116800500000000 ] - [ -0.0001249000000000, -0.0009306500000000, 0.0007610800000000 ] - [ -0.0000886700000000, -0.0008844500000000, 0.0000754900000000 ] - [ 0.0007550000000000, -0.0000701900000000, -0.0016366700000000 ] - [ -0.0015137600000000, 0.0009055000000000, -0.0090929600000000 ] - [ 0.0000284400000000, -0.0000205900000000, 0.0001415500000000 ] - [ -0.0002986800000000, 0.0001712300000000, -0.0000599800000000 ] - [ 0.0002075400000000, 0.0001979800000000, 0.0003419400000000 ] - [ 0.0007444700000000, 0.0001864800000000, -0.0000273900000000 ] - [ 0.0002340100000000, 0.0000571200000000, 0.0000511900000000 ] - [ -0.0000195800000000, 0.0001151800000000, 0.0000715600000000 ] - [ -0.0001233900000000, -0.0002094500000000, -0.0000956200000000 ] - [ 0.0004910200000000, 0.0002636000000000, 0.0001917700000000 ] - [ -0.0003185900000000, 0.0000524400000000, -0.0000201800000000 ] - [ 0.0007973300000000, -0.0000165900000000, -0.0003765000000000 ] - [ 0.0001079300000000, 0.0000471500000000, 0.0001462600000000 ] - [ 0.0000979000000000, 0.0002059000000000, -0.0006354500000000 ] - [ 0.0000579600000000, -0.0000639700000000, 0.0002646200000000 ] - [ -0.0002382800000000, -0.0006981600000000, -0.0008140300000000 ] - [ -0.0002860100000000, 0.0001221500000000, -0.0000304500000000 ] - [ -0.0001978700000000, 0.0002848500000000, 0.0002774500000000 ] - [ 0.0001024200000000, 0.0003202700000000, -0.0066244600000000 ] - [ -0.0004943500000000, -0.0000379500000000, 0.0004514100000000 ] - [ 0.0001856200000000, 0.0001054300000000, -0.0002003900000000 ] - [ -0.0000027000000000, 0.0001157700000000, -0.0001105900000000 ] - [ -0.0001137200000000, -0.0002319100000000, 0.0004248600000000 ] - [ -0.0012576700000000, -0.0003017500000000, 0.0010734600000000 ] - [ 0.0001164800000000, 0.0003572400000000, -0.0005445800000000 ] - [ 0.0002116800000000, 0.0003573400000000, 0.0020427600000000 ] - [ 0.0000145400000000, 0.0000581800000000, -0.0007927500000000 ] - [ 0.0000428600000000, -0.0000996900000000, 0.0000444600000000 ] - [ -0.0003141600000000, -0.0000062800000000, -0.0005397500000000 ] - [ 0.0002374300000000, 0.0002721500000000, 0.0008487000000000 ] - [ -0.0001159200000000, -0.0000435000000000, -0.0004723500000000 ] - [ -0.0001329300000000, 0.0002613100000000, -0.0000244500000000 ] - [ 0.0002762200000000, -0.0001249500000000, -0.0005480600000000 ] - [ -0.0093214300000000, -0.0056985800000000, 0.0021106300000000 ] - [ 0.0002822800000000, -0.0000373700000000, -0.0002993600000000 ] - [ 0.0004552900000000, -0.0002784600000000, 0.0011640700000000 ] - [ 0.0014126200000000, -0.0013428200000000, -0.0068652200000000 ] - [ -0.0008306200000000, 0.0074693000000000, 0.0051495900000000 ] - [ 0.0001016200000000, -0.0002386000000000, -0.0005737300000000 ] - [ 0.0019332100000000, 0.0036125200000000, -0.0005937100000000 ] - [ -0.0010783700000000, -0.0074526300000000, -0.0175532500000000 ] - [ 0.0145850600000000, -0.0079413000000000, 0.1712585800000000 ] - [ -0.0000482200000000, 0.0001918100000000, -0.0008674600000000 ] - [ -0.0001003700000000, 0.0000358100000000, -0.0002322200000000 ] - [ 0.0072329800000000, 0.0066315700000000, -0.0150053100000000 ] - [ 0.0001381400000000, -0.0002427400000000, -0.0002606400000000 ] - [ -0.0037937500000000, -0.0017474300000000, -0.0010482600000000 ] - [ -0.0000418000000000, -0.0002551600000000, -0.0008838600000000 ] - [ 0.0001401700000000, 0.0001829000000000, 0.0005984400000000 ] - [ -0.0001759600000000, -0.0002467500000000, 0.0003561800000000 ] - [ 0.0000342400000000, 0.0002820700000000, -0.0000567800000000 ]- atom: 81 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000899600000000, -0.0000292100000000, -0.0001079400000000 ] - [ 0.0001383400000000, -0.0000019000000000, -0.0001416600000000 ] - [ -0.0001266300000000, 0.0001104100000000, 0.0000336600000000 ] - [ 0.0647990000000000, -0.0272011300000000, -0.0183894900000000 ] - [ -0.0001339400000000, 0.0002812500000000, -0.0001023000000000 ] - [ -0.0000114000000000, 0.0001268200000000, -0.0000215300000000 ] - [ -0.0006766200000000, -0.0003751300000000, 0.0008123900000000 ] - [ -0.0002049000000000, 0.0000783200000000, -0.0000568200000000 ] - [ -0.0002424000000000, -0.0000137900000000, -0.0002485100000000 ] - [ -0.0000745900000000, 0.0003754500000000, -0.0000411000000000 ] - [ -0.0000929500000000, -0.0000363500000000, 0.0001503000000000 ] - [ -0.0001087000000000, -0.0000033800000000, 0.0002040500000000 ] - [ -0.0004026600000000, -0.0000999900000000, 0.0000706900000000 ] - [ -0.0004469400000000, 0.0001058400000000, -0.0000117000000000 ] - [ -0.0002819800000000, -0.0002045500000000, 0.0001347800000000 ] - [ -0.0004069100000000, 0.0002156800000000, 0.0002751300000000 ] - [ -0.0010911900000000, -0.0008497600000000, -0.0017026000000000 ] - [ -0.0002114700000000, 0.0001639800000000, 0.0000429700000000 ] - [ -0.0001178100000000, -0.0000479200000000, 0.0002856700000000 ] - [ -0.0012087100000000, -0.0015537700000000, 0.0009408800000000 ] - [ 0.0016959900000000, 0.0008725500000000, 0.0002117700000000 ] - [ -0.0001066800000000, -0.0000547800000000, 0.0000470500000000 ] - [ -0.0007346900000000, 0.0008060400000000, -0.0004446900000000 ] - [ -0.0002470000000000, 0.0002317100000000, 0.0000448900000000 ] - [ -0.0000433800000000, -0.0000731200000000, -0.0001919300000000 ] - [ -0.0005557300000000, 0.0004661600000000, 0.0008800500000000 ] - [ 0.0011940300000000, -0.0011830000000000, 0.0002331000000000 ] - [ -0.0000806200000000, 0.0001719100000000, 0.0001641500000000 ] - [ 0.0000216300000000, -0.0003205600000000, -0.0004312100000000 ] - [ 0.0015893400000000, -0.0004590600000000, -0.0009956400000000 ] - [ 0.0119999000000000, -0.0009670700000000, 0.0063470200000000 ] - [ -0.0000111100000000, -0.0000321100000000, 0.0001639100000000 ] - [ 0.0096306800000000, -0.0005381100000000, -0.0012215300000000 ] - [ 0.0000280800000000, -0.0004061100000000, -0.0002924300000000 ] - [ 0.0001561400000000, 0.0000743200000000, 0.0001470900000000 ] - [ 0.0017634900000000, -0.0001148000000000, -0.0000317800000000 ] - [ 0.0178332200000000, 0.0164355800000000, -0.0106708500000000 ] - [ 0.0001220700000000, 0.0000093500000000, -0.0001599700000000 ] - [ 0.0001761900000000, 0.0000108600000000, 0.0000360300000000 ] - [ 0.0237456100000000, 0.0029151300000000, 0.0199110500000000 ] - [ 0.0003459200000000, -0.0001564400000000, 0.0001614000000000 ] - [ 0.0003174300000000, 0.0001237400000000, -0.0001594000000000 ] - [ 0.0006100300000000, 0.0005510500000000, -0.0000852100000000 ] - [ 0.0002246500000000, 0.0000372400000000, -0.0002035600000000 ] - [ 0.0000732000000000, 0.0004818300000000, -0.0003289800000000 ] - [ -0.0001458800000000, -0.0000798800000000, 0.0007099700000000 ] - [ 0.0000310500000000, 0.0000153700000000, -0.0001032400000000 ] - [ 0.0001629000000000, -0.0003162100000000, -0.0000252600000000 ] - [ 0.0002504000000000, -0.0000770300000000, -0.0000032500000000 ] - [ 0.0001438900000000, 0.0001156600000000, -0.0001723500000000 ] - [ -0.0000470200000000, -0.0001287200000000, 0.0001718700000000 ] - [ 0.0003449300000000, -0.0001823400000000, -0.0000334700000000 ] - [ -0.0003122000000000, -0.0001887800000000, -0.0002119200000000 ] - [ -0.0004767700000000, -0.0004397200000000, 0.0000427300000000 ] - [ 0.0008017500000000, -0.0001471500000000, 0.0005239600000000 ] - [ 0.0006645200000000, -0.0002414700000000, -0.0002040700000000 ] - [ 0.0002809100000000, 0.0000745300000000, -0.0001025900000000 ] - [ 0.0061414500000000, -0.0000181100000000, 0.0000387900000000 ] - [ 0.0000199000000000, 0.0001081500000000, 0.0003848600000000 ] - [ -0.0000150000000000, -0.0001091600000000, 0.0000329600000000 ] - [ -0.0019080000000000, 0.0001201700000000, -0.0005211500000000 ] - [ -0.0011111400000000, -0.0011182400000000, -0.0000329400000000 ] - [ -0.0000211200000000, 0.0004217000000000, -0.0005337400000000 ] - [ -0.0006279900000000, 0.0001796100000000, -0.0000542800000000 ] - [ 0.0001247400000000, 0.0002968000000000, -0.0002054600000000 ] - [ 0.0002408400000000, 0.0001461500000000, -0.0001674600000000 ] - [ 0.0002176800000000, -0.0000631500000000, -0.0001071700000000 ] - [ 0.0004196400000000, -0.0001633300000000, 0.0002156500000000 ] - [ 0.0009891700000000, 0.0000152700000000, -0.0003026800000000 ] - [ 0.0009984300000000, -0.0000318100000000, 0.0001038600000000 ] - [ 0.0005263200000000, 0.0000031000000000, -0.0000596500000000 ] - [ 0.0068926100000000, 0.0016070900000000, 0.0012687400000000 ] - [ 0.0184059100000000, -0.0011451700000000, 0.0078189800000000 ] - [ 0.0002646900000000, 0.0000720400000000, -0.0002325200000000 ] - [ 0.0004504900000000, 0.0002744900000000, 0.0001776900000000 ] - [ 0.0159592400000000, 0.0067075500000000, -0.0067672400000000 ] - [ 0.0006399100000000, -0.0082404400000000, 0.0044905400000000 ] - [ -0.0001606600000000, -0.0000116700000000, -0.0001092400000000 ] - [ -0.0002065100000000, 0.0003184200000000, 0.0002134100000000 ] - [ -0.0031587500000000, -0.0010748800000000, -0.0071360300000000 ] - [ -0.1747835900000000, 0.0144426600000000, 0.0070248400000000 ] - [ -0.0004976500000000, 0.0002312000000000, -0.0001042700000000 ] - [ -0.0011228100000000, 0.0003742700000000, 0.0003071900000000 ] - [ -0.0008952500000000, 0.0002453700000000, -0.0001451000000000 ] - [ -0.0002520200000000, -0.0002254400000000, 0.0002166200000000 ] - [ 0.0005917500000000, 0.0021248200000000, -0.0034758700000000 ] - [ 0.0010821000000000, -0.0036422900000000, 0.0018015400000000 ] - [ 0.0001612300000000, -0.0001726300000000, 0.0000095500000000 ]- atom: 81 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000513300000000, 0.0000086600000000, -0.0000276200000000 ] - [ 0.0000030900000000, 0.0000221200000000, 0.0000044000000000 ] - [ -0.0001310800000000, 0.0000612000000000, 0.0000355800000000 ] - [ -0.0628872100000000, 0.0259589400000000, 0.0176826700000000 ] - [ 0.0002564300000000, -0.0006195700000000, 0.0000752900000000 ] - [ 0.0001342900000000, 0.0002114300000000, -0.0000060000000000 ] - [ 0.0004979500000000, 0.0002048400000000, -0.0007943100000000 ] - [ 0.0000279200000000, 0.0000899400000000, 0.0000697000000000 ] - [ 0.0003813400000000, -0.0005603700000000, 0.0001267800000000 ] - [ 0.0002147700000000, 0.0001988800000000, -0.0000800300000000 ] - [ 0.0001440300000000, -0.0002358200000000, 0.0000974400000000 ] - [ 0.0001592600000000, 0.0002751100000000, 0.0000437000000000 ] - [ 0.0002966800000000, -0.0000717900000000, 0.0002320100000000 ] - [ 0.0003407800000000, 0.0000658900000000, 0.0003153000000000 ] - [ 0.0003562600000000, -0.0001537700000000, 0.0000359800000000 ] - [ 0.0004823200000000, 0.0001427400000000, -0.0001044400000000 ] - [ 0.0010658400000000, 0.0004361400000000, 0.0018290300000000 ] - [ 0.0001851300000000, 0.0002417200000000, 0.0000937700000000 ] - [ 0.0002494700000000, 0.0000435700000000, 0.0002004900000000 ] - [ 0.0013429700000000, 0.0015559200000000, -0.0004589600000000 ] - [ -0.0018350500000000, -0.0008354600000000, -0.0000670500000000 ] - [ -0.0000641200000000, 0.0000317400000000, 0.0000986100000000 ] - [ 0.0003226600000000, -0.0012330500000000, 0.0004947500000000 ] - [ -0.0001495500000000, 0.0001735800000000, -0.0000084500000000 ] - [ 0.0000133600000000, -0.0000855000000000, -0.0000781500000000 ] - [ 0.0005078000000000, -0.0003117000000000, -0.0011739100000000 ] - [ -0.0013659200000000, 0.0009421000000000, -0.0001769100000000 ] - [ -0.0000850400000000, 0.0000578500000000, -0.0001012900000000 ] - [ 0.0001087500000000, 0.0004144200000000, 0.0001222800000000 ] - [ -0.0014666700000000, 0.0003572300000000, 0.0006836300000000 ] - [ -0.0120695000000000, 0.0008487100000000, -0.0061747500000000 ] - [ -0.0000505600000000, 0.0002037500000000, -0.0001299300000000 ] - [ -0.0096538800000000, 0.0007379300000000, 0.0011111400000000 ] - [ -0.0000365200000000, 0.0001931600000000, 0.0001706000000000 ] - [ -0.0000606500000000, 0.0001924900000000, -0.0000183900000000 ] - [ -0.0016668600000000, -0.0001447400000000, 0.0001648000000000 ] - [ -0.0178803500000000, -0.0166059200000000, 0.0105587800000000 ] - [ -0.0001913900000000, -0.0000003200000000, -0.0000640300000000 ] - [ -0.0003128400000000, -0.0000716900000000, -0.0001024000000000 ] - [ -0.0239536000000000, -0.0029342800000000, -0.0203657300000000 ] - [ -0.0004233600000000, 0.0000823800000000, -0.0001957200000000 ] - [ -0.0003950200000000, -0.0000466300000000, 0.0001260300000000 ] - [ -0.0001054100000000, -0.0006275900000000, 0.0000909300000000 ] - [ 0.0002806100000000, 0.0000332200000000, 0.0002092900000000 ] - [ -0.0000687000000000, -0.0003864500000000, 0.0001764800000000 ] - [ 0.0001537900000000, -0.0000163500000000, -0.0008723500000000 ] - [ 0.0000589900000000, 0.0004008200000000, -0.0000250800000000 ] - [ -0.0000743900000000, -0.0000991400000000, -0.0001031400000000 ] - [ 0.0000338900000000, -0.0001281400000000, -0.0000740600000000 ] - [ 0.0001437800000000, 0.0000893700000000, 0.0000972700000000 ] - [ 0.0003640000000000, 0.0001053500000000, -0.0000108100000000 ] - [ -0.0000216400000000, 0.0002024300000000, 0.0001889700000000 ] - [ 0.0000360500000000, 0.0001236400000000, 0.0004409000000000 ] - [ 0.0001999000000000, 0.0005177800000000, 0.0001782000000000 ] - [ -0.0009115600000000, 0.0000467600000000, -0.0005068700000000 ] - [ -0.0007753800000000, 0.0003513300000000, 0.0002078200000000 ] - [ -0.0001433800000000, -0.0001396900000000, 0.0000842900000000 ] - [ -0.0064093500000000, 0.0002077800000000, 0.0001067400000000 ] - [ -0.0001215700000000, 0.0001988300000000, -0.0001561900000000 ] - [ -0.0000889500000000, -0.0001965600000000, 0.0002006500000000 ] - [ 0.0020915500000000, -0.0004327900000000, 0.0003064000000000 ] - [ 0.0012845800000000, 0.0014377800000000, -0.0001745700000000 ] - [ -0.0000177400000000, -0.0006218500000000, 0.0003890500000000 ] - [ 0.0005862600000000, 0.0000205200000000, -0.0000924400000000 ] - [ -0.0004691500000000, -0.0000770100000000, -0.0001719500000000 ] - [ -0.0005887700000000, -0.0003610200000000, -0.0002132200000000 ] - [ -0.0004133600000000, 0.0002211600000000, 0.0000735400000000 ] - [ -0.0006181600000000, 0.0000043400000000, -0.0002452500000000 ] - [ -0.0009254900000000, 0.0001302100000000, 0.0001768300000000 ] - [ -0.0009333100000000, -0.0001144300000000, -0.0002264400000000 ] - [ -0.0004958500000000, 0.0000292000000000, -0.0000081600000000 ] - [ -0.0067229700000000, -0.0016771500000000, -0.0013625200000000 ] - [ -0.0176146600000000, 0.0010168300000000, -0.0076306700000000 ] - [ -0.0000646800000000, -0.0000419400000000, 0.0002624200000000 ] - [ -0.0001249000000000, -0.0002198300000000, -0.0003688400000000 ] - [ -0.0151930400000000, -0.0067306900000000, 0.0063980700000000 ] - [ -0.0006826600000000, 0.0079271500000000, -0.0044362900000000 ] - [ -0.0000235900000000, 0.0002624600000000, 0.0002134100000000 ] - [ 0.0002251200000000, -0.0001596000000000, -0.0001461400000000 ] - [ 0.0033286100000000, 0.0008531000000000, 0.0071785100000000 ] - [ 0.1718016700000000, -0.0131600100000000, -0.0062469500000000 ] - [ 0.0006601800000000, -0.0001342400000000, 0.0000021000000000 ] - [ 0.0009172600000000, -0.0003102400000000, -0.0002538800000000 ] - [ 0.0006890100000000, -0.0003112200000000, 0.0002017100000000 ] - [ 0.0001829400000000, 0.0000304500000000, -0.0001397800000000 ] - [ -0.0006762700000000, -0.0019316600000000, 0.0035614100000000 ] - [ -0.0010773000000000, 0.0036181500000000, -0.0016598300000000 ] - [ -0.0001392500000000, 0.0002071600000000, 0.0001357600000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000187900000000, 0.0001589300000000, -0.0001396900000000 ] - [ 0.0000576600000000, -0.0000029100000000, -0.0000973500000000 ] - [ -0.0000952200000000, 0.0001357000000000, 0.0000268900000000 ] - [ -0.0268042600000000, 0.0114584300000000, 0.0073983500000000 ] - [ 0.0001616500000000, -0.0002267700000000, -0.0000847000000000 ] - [ 0.0000683100000000, 0.0001853700000000, -0.0001392100000000 ] - [ 0.0001464600000000, 0.0001921800000000, -0.0005251600000000 ] - [ 0.0000085400000000, 0.0000546100000000, 0.0000621300000000 ] - [ 0.0003240700000000, -0.0002853200000000, -0.0000289300000000 ] - [ 0.0000512800000000, 0.0003720400000000, -0.0000880000000000 ] - [ 0.0000220400000000, -0.0002332900000000, 0.0001169600000000 ] - [ -0.0000321300000000, 0.0000476800000000, 0.0001748900000000 ] - [ -0.0000798700000000, 0.0000085300000000, 0.0002572900000000 ] - [ -0.0001134600000000, 0.0000425600000000, 0.0001104700000000 ] - [ 0.0000720100000000, -0.0001895900000000, 0.0000827200000000 ] - [ 0.0001120200000000, 0.0001884800000000, -0.0000113000000000 ] - [ 0.0001505600000000, -0.0009210200000000, 0.0002848300000000 ] - [ -0.0000842900000000, 0.0001803500000000, 0.0000582000000000 ] - [ 0.0000243100000000, -0.0000244300000000, 0.0002226200000000 ] - [ 0.0003714200000000, -0.0009972800000000, 0.0002972500000000 ] - [ 0.0001994200000000, 0.0019069500000000, 0.0012475500000000 ] - [ -0.0001658200000000, 0.0001251400000000, 0.0000436900000000 ] - [ -0.0014635200000000, -0.0020561000000000, 0.0007913000000000 ] - [ -0.0002056600000000, 0.0001283100000000, 0.0000156100000000 ] - [ -0.0000260900000000, -0.0001427700000000, -0.0000965100000000 ] - [ -0.0005684300000000, -0.0008618600000000, -0.0009037200000000 ] - [ -0.0006215300000000, 0.0006573900000000, -0.0012294100000000 ] - [ -0.0000999500000000, 0.0000730200000000, 0.0000368400000000 ] - [ -0.0001105500000000, -0.0003078100000000, -0.0005975300000000 ] - [ -0.0008719600000000, 0.0008947400000000, -0.0005041500000000 ] - [ 0.0006019700000000, 0.0097422400000000, 0.0167355800000000 ] - [ -0.0002636600000000, -0.0002777300000000, 0.0005692800000000 ] - [ 0.0021286800000000, 0.0469469000000000, -0.0115933900000000 ] - [ -0.0000665700000000, -0.0001615200000000, -0.0001253600000000 ] - [ 0.0002625300000000, -0.0002116100000000, 0.0002552300000000 ] - [ 0.0007159700000000, 0.0016276400000000, 0.0009570600000000 ] - [ 0.0138515700000000, 0.0334078700000000, -0.0132419400000000 ] - [ -0.0000254000000000, -0.0001280300000000, -0.0001193100000000 ] - [ -0.0000530700000000, -0.0001351400000000, -0.0000488700000000 ] - [ 0.0018434400000000, 0.0072937500000000, 0.0066319200000000 ] - [ -0.0004964500000000, 0.0003691700000000, 0.0004661700000000 ] - [ 0.0001368100000000, -0.0002042800000000, -0.0000577500000000 ] - [ 0.0010754300000000, -0.0008415800000000, 0.0004115000000000 ] - [ 0.0000423500000000, 0.0001057900000000, -0.0002043100000000 ] - [ 0.0007647800000000, -0.0007572000000000, -0.0001883800000000 ] - [ 0.0001787100000000, 0.0001925700000000, -0.0003327400000000 ] - [ -0.0004186100000000, -0.0006972000000000, -0.0001126600000000 ] - [ -0.0000111000000000, -0.0002054200000000, 0.0000102200000000 ] - [ 0.0000323300000000, -0.0003947500000000, -0.0002238000000000 ] - [ 0.0000458100000000, 0.0001665000000000, -0.0001685600000000 ] - [ 0.0001361800000000, -0.0000688700000000, 0.0000473000000000 ] - [ -0.0000575200000000, -0.0001354900000000, 0.0001705700000000 ] - [ -0.0005333900000000, 0.0000562800000000, 0.0002701900000000 ] - [ -0.0006480300000000, 0.0005358000000000, -0.0001188700000000 ] - [ -0.0000381600000000, -0.0003861500000000, -0.0000868400000000 ] - [ 0.0002424500000000, -0.0007322200000000, -0.0000297800000000 ] - [ 0.0001240000000000, -0.0000098900000000, 0.0000874900000000 ] - [ -0.0010282000000000, 0.0039535500000000, -0.0014979900000000 ] - [ -0.0002815500000000, 0.0005156000000000, 0.0006047700000000 ] - [ -0.0000511400000000, -0.0002745700000000, 0.0001676200000000 ] - [ -0.0003022800000000, 0.0007248900000000, 0.0013510400000000 ] - [ -0.0011947300000000, -0.0012185800000000, -0.0029178100000000 ] - [ 0.0007643200000000, 0.0016376800000000, -0.0022074000000000 ] - [ -0.0000179000000000, 0.0004230700000000, 0.0001022400000000 ] - [ -0.0001050000000000, 0.0003200300000000, -0.0007942300000000 ] - [ 0.0004439400000000, 0.0003288000000000, -0.0001190300000000 ] - [ -0.0000116200000000, 0.0001567500000000, 0.0001332600000000 ] - [ -0.0000361500000000, 0.0000463500000000, -0.0000005300000000 ] - [ -0.0000028700000000, -0.0002032400000000, 0.0001981400000000 ] - [ 0.0000007600000000, -0.0002980000000000, 0.0000066700000000 ] - [ 0.0000635300000000, 0.0000558500000000, -0.0000354600000000 ] - [ 0.0016716600000000, 0.0094779700000000, -0.0005217500000000 ] - [ 0.0025177800000000, 0.0017950000000000, -0.0044828700000000 ] - [ 0.0005366100000000, 0.0000743000000000, 0.0000908100000000 ] - [ 0.0004557300000000, -0.0002234200000000, 0.0003308700000000 ] - [ 0.0152281900000000, -0.0050126400000000, -0.0044596200000000 ] - [ -0.0156100700000000, 0.0177841900000000, 0.0028179400000000 ] - [ -0.0002625600000000, 0.0004094000000000, -0.0000831900000000 ] - [ -0.0002313800000000, 0.0007840300000000, -0.0000550700000000 ] - [ -0.0043785700000000, 0.0082030600000000, 0.0066697100000000 ] - [ 0.0136533200000000, -0.1466608400000000, -0.0036045300000000 ] - [ -0.0001011700000000, 0.0002087600000000, -0.0003505000000000 ] - [ 0.0002471200000000, 0.0002351900000000, -0.0001547100000000 ] - [ -0.0003682100000000, 0.0015764700000000, -0.0001859300000000 ] - [ -0.0004703300000000, 0.0005309400000000, -0.0002895000000000 ] - [ 0.0002218400000000, -0.0014985600000000, 0.0018003900000000 ] - [ -0.0013566900000000, 0.0007321300000000, 0.0004523800000000 ] - [ 0.0000263300000000, -0.0002428600000000, 0.0002924400000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001594000000000, -0.0001781400000000, 0.0000031500000000 ] - [ 0.0000827200000000, 0.0000224800000000, -0.0000391800000000 ] - [ -0.0001622800000000, 0.0000374100000000, 0.0000428900000000 ] - [ 0.0268409800000000, -0.0115707400000000, -0.0074161200000000 ] - [ -0.0000396900000000, -0.0001084700000000, 0.0000564000000000 ] - [ 0.0000534300000000, 0.0001529800000000, 0.0001134600000000 ] - [ -0.0003254600000000, -0.0003629900000000, 0.0005419000000000 ] - [ -0.0001857400000000, 0.0001123500000000, -0.0000503600000000 ] - [ -0.0001850500000000, -0.0002882300000000, -0.0000932200000000 ] - [ 0.0000875900000000, 0.0002039000000000, -0.0000328900000000 ] - [ 0.0000284100000000, -0.0000374000000000, 0.0001314600000000 ] - [ 0.0000821400000000, 0.0002229500000000, 0.0000734100000000 ] - [ -0.0000278400000000, -0.0001807500000000, 0.0000448900000000 ] - [ 0.0000056300000000, 0.0001296400000000, 0.0001925500000000 ] - [ 0.0000015300000000, -0.0001689100000000, 0.0000881400000000 ] - [ -0.0000390500000000, 0.0001703300000000, 0.0001823800000000 ] - [ -0.0001775700000000, 0.0005213000000000, -0.0001349900000000 ] - [ 0.0000589400000000, 0.0002251300000000, 0.0000792700000000 ] - [ 0.0001082100000000, 0.0000191800000000, 0.0002629600000000 ] - [ -0.0002465000000000, 0.0009993400000000, 0.0001928000000000 ] - [ -0.0003580900000000, -0.0018675700000000, -0.0010930000000000 ] - [ -0.0000049200000000, -0.0001500700000000, 0.0001018400000000 ] - [ 0.0010917600000000, 0.0016900100000000, -0.0007734000000000 ] - [ -0.0001909400000000, 0.0002769100000000, 0.0000211900000000 ] - [ -0.0000049200000000, -0.0000174300000000, -0.0001717300000000 ] - [ 0.0005364400000000, 0.0010251400000000, 0.0006332700000000 ] - [ 0.0004568400000000, -0.0008705400000000, 0.0013081900000000 ] - [ -0.0000652700000000, 0.0001547200000000, 0.0000259900000000 ] - [ 0.0002385800000000, 0.0003960900000000, 0.0002824500000000 ] - [ 0.0009872000000000, -0.0009742000000000, 0.0002070100000000 ] - [ -0.0006889800000000, -0.0100197000000000, -0.0166610100000000 ] - [ 0.0001989000000000, 0.0004437700000000, -0.0005263000000000 ] - [ -0.0016784800000000, -0.0448144700000000, 0.0106369300000000 ] - [ 0.0000577200000000, -0.0000536300000000, 0.0000026400000000 ] - [ -0.0001665700000000, 0.0004766000000000, -0.0001263300000000 ] - [ -0.0006245100000000, -0.0019345800000000, -0.0008631800000000 ] - [ -0.0146596500000000, -0.0351221700000000, 0.0138478700000000 ] - [ -0.0000441200000000, 0.0001345100000000, -0.0001053200000000 ] - [ -0.0000830600000000, 0.0000729600000000, -0.0000163300000000 ] - [ -0.0019597500000000, -0.0071738700000000, -0.0066278800000000 ] - [ 0.0004234600000000, -0.0004474400000000, -0.0005066400000000 ] - [ -0.0002129500000000, 0.0002783300000000, 0.0000247100000000 ] - [ -0.0005636700000000, 0.0007635200000000, -0.0004044900000000 ] - [ 0.0004624900000000, -0.0000344100000000, 0.0002097800000000 ] - [ -0.0007485700000000, 0.0008460200000000, 0.0000291900000000 ] - [ -0.0001735200000000, -0.0002905800000000, 0.0001799100000000 ] - [ 0.0005093600000000, 0.0011157300000000, -0.0000141300000000 ] - [ 0.0000994800000000, -0.0002108600000000, -0.0001393900000000 ] - [ 0.0002521500000000, 0.0001896400000000, 0.0001473200000000 ] - [ 0.0002381400000000, 0.0000385900000000, 0.0000913400000000 ] - [ 0.0001801800000000, 0.0000461900000000, 0.0001134900000000 ] - [ 0.0003737400000000, 0.0001587100000000, -0.0000097500000000 ] - [ 0.0002576100000000, -0.0001243700000000, -0.0000468800000000 ] - [ 0.0003757800000000, -0.0004695100000000, 0.0003445700000000 ] - [ -0.0000772700000000, 0.0002799000000000, 0.0000905800000000 ] - [ -0.0003607000000000, 0.0008170000000000, 0.0000449800000000 ] - [ 0.0000144600000000, -0.0000555500000000, -0.0001043200000000 ] - [ 0.0011118700000000, -0.0038421100000000, 0.0015031200000000 ] - [ 0.0001818300000000, -0.0002101000000000, -0.0003777900000000 ] - [ -0.0000528400000000, -0.0000312100000000, 0.0000670600000000 ] - [ 0.0004675200000000, -0.0010375500000000, -0.0015528700000000 ] - [ 0.0013497100000000, 0.0015214600000000, 0.0026702400000000 ] - [ -0.0008028300000000, -0.0018505300000000, 0.0020651200000000 ] - [ -0.0000172600000000, -0.0002192200000000, -0.0002467100000000 ] - [ -0.0002354900000000, -0.0001023800000000, 0.0004186800000000 ] - [ -0.0007858400000000, -0.0005454000000000, -0.0002622400000000 ] - [ -0.0001788500000000, -0.0000001700000000, -0.0001637800000000 ] - [ -0.0001525700000000, -0.0002050100000000, -0.0000312700000000 ] - [ 0.0000736500000000, 0.0003459900000000, -0.0003237000000000 ] - [ 0.0000697900000000, 0.0001523200000000, -0.0001293600000000 ] - [ -0.0000343500000000, -0.0000209900000000, -0.0000334000000000 ] - [ -0.0016118500000000, -0.0095574500000000, 0.0004424000000000 ] - [ -0.0023318600000000, -0.0018316400000000, 0.0044600100000000 ] - [ -0.0003370800000000, -0.0000420900000000, -0.0000630600000000 ] - [ -0.0001342800000000, 0.0002805500000000, -0.0005193300000000 ] - [ -0.0148109500000000, 0.0050370900000000, 0.0042041600000000 ] - [ 0.0157010800000000, -0.0186166400000000, -0.0026692500000000 ] - [ 0.0000682000000000, -0.0001530300000000, 0.0001863400000000 ] - [ 0.0002392100000000, -0.0006185500000000, 0.0001143400000000 ] - [ 0.0044791400000000, -0.0084276200000000, -0.0066627500000000 ] - [ -0.0139252900000000, 0.1469021800000000, 0.0036174200000000 ] - [ 0.0002614200000000, -0.0001091300000000, 0.0002444200000000 ] - [ -0.0004500700000000, -0.0001744600000000, 0.0002121300000000 ] - [ 0.0001691400000000, -0.0016324700000000, 0.0002414500000000 ] - [ 0.0004029700000000, -0.0007166200000000, 0.0003655200000000 ] - [ -0.0002880400000000, 0.0017097400000000, -0.0017213600000000 ] - [ 0.0013640200000000, -0.0007779300000000, -0.0002953000000000 ] - [ 0.0000017600000000, 0.0002782400000000, -0.0001523500000000 ]- atom: 81 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000618000000000, -0.0001162100000000, -0.0001284300000000 ] - [ 0.0000194900000000, -0.0000427700000000, 0.0001408200000000 ] - [ -0.0001345100000000, 0.0001309100000000, 0.0000921300000000 ] - [ -0.0174231400000000, 0.0069551100000000, 0.0052001100000000 ] - [ 0.0001198500000000, -0.0003900000000000, 0.0001763900000000 ] - [ -0.0000119000000000, 0.0000556600000000, -0.0004961900000000 ] - [ 0.0001049400000000, 0.0000091400000000, -0.0002384400000000 ] - [ -0.0001203800000000, 0.0001201100000000, 0.0000481300000000 ] - [ 0.0002228300000000, -0.0005706000000000, 0.0001338300000000 ] - [ 0.0000030100000000, 0.0003524300000000, -0.0001466400000000 ] - [ 0.0000731500000000, -0.0001967700000000, 0.0001495500000000 ] - [ 0.0000120200000000, 0.0001388700000000, -0.0000038900000000 ] - [ 0.0000733500000000, -0.0000262000000000, 0.0001519300000000 ] - [ 0.0000587100000000, 0.0000567200000000, 0.0002119800000000 ] - [ 0.0001144100000000, -0.0001771600000000, 0.0001006800000000 ] - [ -0.0000500400000000, 0.0002113000000000, -0.0000071800000000 ] - [ 0.0004833400000000, -0.0006587000000000, -0.0013574000000000 ] - [ 0.0000128500000000, 0.0002210700000000, 0.0000406800000000 ] - [ 0.0000119600000000, -0.0000377000000000, 0.0002171700000000 ] - [ 0.0000979400000000, 0.0007110700000000, -0.0007337500000000 ] - [ -0.0002150200000000, 0.0010672000000000, 0.0003811000000000 ] - [ -0.0001484000000000, 0.0000552700000000, -0.0000191000000000 ] - [ 0.0000346500000000, -0.0002243700000000, -0.0008328400000000 ] - [ -0.0002036600000000, 0.0001892800000000, 0.0000147600000000 ] - [ -0.0000924800000000, -0.0001892600000000, -0.0000862200000000 ] - [ -0.0010725900000000, -0.0001028200000000, -0.0021371000000000 ] - [ -0.0005716000000000, -0.0008564600000000, 0.0023504300000000 ] - [ -0.0000849300000000, 0.0001322400000000, -0.0000646200000000 ] - [ -0.0002218100000000, -0.0007685300000000, -0.0007174000000000 ] - [ 0.0005115900000000, -0.0011212400000000, 0.0019205500000000 ] - [ 0.0095250200000000, 0.0152865300000000, 0.0487755100000000 ] - [ 0.0001273100000000, 0.0002979400000000, -0.0003570700000000 ] - [ -0.0025529300000000, -0.0117822500000000, 0.0084465100000000 ] - [ -0.0002065800000000, -0.0006133900000000, -0.0004811400000000 ] - [ 0.0000296000000000, 0.0000469600000000, -0.0000113000000000 ] - [ 0.0002205700000000, 0.0008889600000000, 0.0004167200000000 ] - [ -0.0100371500000000, -0.0150662800000000, 0.0108388500000000 ] - [ 0.0000356000000000, -0.0000821300000000, -0.0002098300000000 ] - [ -0.0001419500000000, -0.0001627000000000, -0.0001608600000000 ] - [ 0.0181965000000000, 0.0079545100000000, 0.0323403800000000 ] - [ 0.0008485300000000, 0.0000762000000000, -0.0008719900000000 ] - [ -0.0001883400000000, 0.0000940900000000, 0.0000745400000000 ] - [ 0.0001814200000000, -0.0003484600000000, 0.0002311500000000 ] - [ -0.0004198900000000, -0.0002975800000000, -0.0009418900000000 ] - [ -0.0007175300000000, 0.0008227700000000, 0.0004430900000000 ] - [ 0.0002963200000000, 0.0001245600000000, -0.0004307500000000 ] - [ 0.0001019200000000, 0.0002112300000000, 0.0000895900000000 ] - [ 0.0001536300000000, -0.0002383300000000, -0.0002434000000000 ] - [ 0.0001474600000000, -0.0000400700000000, 0.0000643800000000 ] - [ -0.0003280500000000, 0.0004126500000000, -0.0010373500000000 ] - [ 0.0001811600000000, 0.0000106100000000, 0.0000831100000000 ] - [ -0.0000635500000000, 0.0000764400000000, -0.0000862800000000 ] - [ -0.0009406300000000, 0.0004065700000000, -0.0000637700000000 ] - [ 0.0000367300000000, 0.0001743700000000, -0.0002719600000000 ] - [ 0.0002664900000000, -0.0004151800000000, -0.0005130600000000 ] - [ -0.0004571100000000, 0.0003868900000000, -0.0002014600000000 ] - [ 0.0000313900000000, 0.0000420100000000, -0.0001425600000000 ] - [ -0.0001502700000000, -0.0016435800000000, 0.0034304500000000 ] - [ 0.0000614200000000, 0.0001803300000000, -0.0001528800000000 ] - [ -0.0000617700000000, -0.0000990800000000, 0.0000694500000000 ] - [ -0.0012869400000000, 0.0024855300000000, 0.0010538700000000 ] - [ 0.0001279400000000, -0.0025370500000000, 0.0027813100000000 ] - [ -0.0002532000000000, -0.0008604800000000, 0.0005273100000000 ] - [ 0.0000171100000000, 0.0005671600000000, 0.0000927600000000 ] - [ -0.0003693000000000, 0.0001117000000000, -0.0000917200000000 ] - [ -0.0002913700000000, -0.0001838600000000, -0.0001250200000000 ] - [ -0.0002716800000000, 0.0002013800000000, -0.0000963300000000 ] - [ 0.0005891600000000, -0.0001546600000000, 0.0004440800000000 ] - [ 0.0003467800000000, -0.0002198100000000, -0.0000967700000000 ] - [ -0.0002187100000000, -0.0000396500000000, -0.0001856700000000 ] - [ -0.0000122600000000, 0.0000207900000000, -0.0001431200000000 ] - [ 0.0012272600000000, -0.0003492000000000, 0.0097585000000000 ] - [ 0.0155681600000000, -0.0068516000000000, -0.0005861000000000 ] - [ 0.0000139900000000, -0.0001938600000000, 0.0003252800000000 ] - [ 0.0007780800000000, 0.0001728200000000, 0.0005052900000000 ] - [ -0.0085177600000000, -0.0004253400000000, 0.0079161100000000 ] - [ 0.0062688600000000, -0.0011434100000000, 0.0018346900000000 ] - [ -0.0002350400000000, 0.0002958600000000, 0.0001185400000000 ] - [ -0.0000333100000000, 0.0006478600000000, 0.0002106000000000 ] - [ -0.0151147900000000, 0.0088445000000000, 0.0149816700000000 ] - [ 0.0066639800000000, -0.0036996000000000, -0.1457373400000000 ] - [ 0.0000286300000000, 0.0003478500000000, 0.0004513900000000 ] - [ -0.0003616300000000, 0.0001964000000000, 0.0018500300000000 ] - [ 0.0000943800000000, -0.0002473800000000, -0.0000312600000000 ] - [ 0.0002761900000000, -0.0007715500000000, 0.0003724800000000 ] - [ -0.0014222100000000, 0.0001751500000000, 0.0010644900000000 ] - [ 0.0000538400000000, 0.0021984100000000, -0.0014817100000000 ] - [ 0.0004931100000000, -0.0002201400000000, 0.0007993800000000 ]- atom: 81 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000785500000000, 0.0000957300000000, -0.0000085900000000 ] - [ 0.0001211900000000, 0.0000628600000000, -0.0002778500000000 ] - [ -0.0001230400000000, 0.0000424100000000, -0.0000224200000000 ] - [ 0.0172427500000000, -0.0071611700000000, -0.0050209400000000 ] - [ 0.0000012500000000, 0.0000539300000000, -0.0002051300000000 ] - [ 0.0001340900000000, 0.0002834700000000, 0.0004716700000000 ] - [ -0.0002866000000000, -0.0001795800000000, 0.0002580400000000 ] - [ -0.0000576300000000, 0.0000468900000000, -0.0000363600000000 ] - [ -0.0000844600000000, -0.0000061500000000, -0.0002544800000000 ] - [ 0.0001354900000000, 0.0002226700000000, 0.0000255100000000 ] - [ -0.0000233200000000, -0.0000735400000000, 0.0000989700000000 ] - [ 0.0000369400000000, 0.0001314500000000, 0.0002536400000000 ] - [ -0.0001819500000000, -0.0001454500000000, 0.0001499900000000 ] - [ -0.0001668300000000, 0.0001161800000000, 0.0000898400000000 ] - [ -0.0000407400000000, -0.0001815500000000, 0.0000708900000000 ] - [ 0.0001249200000000, 0.0001476300000000, 0.0001783200000000 ] - [ -0.0005166400000000, 0.0002534600000000, 0.0014847000000000 ] - [ -0.0000386800000000, 0.0001847700000000, 0.0000965500000000 ] - [ 0.0001199700000000, 0.0000320200000000, 0.0002675400000000 ] - [ 0.0000322900000000, -0.0007071300000000, 0.0012237900000000 ] - [ 0.0000220400000000, -0.0010423200000000, -0.0002332100000000 ] - [ -0.0000227200000000, -0.0000782900000000, 0.0001632600000000 ] - [ -0.0004393500000000, -0.0001842600000000, 0.0008726300000000 ] - [ -0.0001918100000000, 0.0002156200000000, 0.0000216900000000 ] - [ 0.0000622800000000, 0.0000295500000000, -0.0001838400000000 ] - [ 0.0010627800000000, 0.0002676700000000, 0.0019026900000000 ] - [ 0.0004160300000000, 0.0006071500000000, -0.0022650500000000 ] - [ -0.0000803100000000, 0.0000967000000000, 0.0001268200000000 ] - [ 0.0003479900000000, 0.0008489700000000, 0.0003990300000000 ] - [ -0.0003632600000000, 0.0010546300000000, -0.0022847900000000 ] - [ -0.0088064100000000, -0.0147066000000000, -0.0466832600000000 ] - [ -0.0001905900000000, -0.0001286000000000, 0.0003930400000000 ] - [ 0.0025590500000000, 0.0121188800000000, -0.0085603200000000 ] - [ 0.0001962700000000, 0.0003952800000000, 0.0003547900000000 ] - [ 0.0000655600000000, 0.0002174600000000, 0.0001383300000000 ] - [ -0.0001365900000000, -0.0011598300000000, -0.0002743700000000 ] - [ 0.0098743400000000, 0.0148875600000000, -0.0111190200000000 ] - [ -0.0001051400000000, 0.0000882200000000, -0.0000148800000000 ] - [ 0.0000059800000000, 0.0000998400000000, 0.0000939900000000 ] - [ -0.0192185600000000, -0.0084034000000000, -0.0340469600000000 ] - [ -0.0009180300000000, -0.0001499400000000, 0.0008351300000000 ] - [ 0.0001099700000000, -0.0000182400000000, -0.0001082300000000 ] - [ 0.0003248700000000, 0.0002750800000000, -0.0002252600000000 ] - [ 0.0009272700000000, 0.0003703400000000, 0.0009517100000000 ] - [ 0.0007274000000000, -0.0007327400000000, -0.0005999400000000 ] - [ -0.0002874500000000, -0.0002209200000000, 0.0002739800000000 ] - [ -0.0000136100000000, 0.0002045900000000, -0.0002183700000000 ] - [ -0.0000648300000000, -0.0001763300000000, 0.0001142200000000 ] - [ 0.0001374800000000, -0.0001639200000000, -0.0001405300000000 ] - [ 0.0006130800000000, -0.0002081100000000, 0.0009621400000000 ] - [ 0.0001343900000000, -0.0000321300000000, 0.0000774100000000 ] - [ 0.0003795700000000, -0.0000543300000000, 0.0002478400000000 ] - [ 0.0006693900000000, -0.0004750400000000, 0.0002897600000000 ] - [ -0.0003072900000000, -0.0001005800000000, 0.0004935500000000 ] - [ -0.0003870400000000, 0.0003041100000000, 0.0005153500000000 ] - [ 0.0003429100000000, -0.0002830900000000, 0.0002163400000000 ] - [ 0.0001084400000000, -0.0001091700000000, 0.0001263900000000 ] - [ 0.0002336700000000, 0.0017238600000000, -0.0033785900000000 ] - [ -0.0001636700000000, 0.0001251400000000, 0.0003860500000000 ] - [ -0.0000422900000000, -0.0002062800000000, 0.0001650900000000 ] - [ 0.0014391000000000, -0.0027715600000000, -0.0012551600000000 ] - [ 0.0000454900000000, 0.0028761400000000, -0.0030190500000000 ] - [ 0.0002128700000000, 0.0006570600000000, -0.0006738000000000 ] - [ -0.0000532300000000, -0.0003652100000000, -0.0002392900000000 ] - [ 0.0000255500000000, 0.0001077300000000, -0.0002870500000000 ] - [ -0.0000534000000000, -0.0000355400000000, -0.0002552900000000 ] - [ 0.0000785500000000, -0.0000450500000000, 0.0000652400000000 ] - [ -0.0007836400000000, -0.0000035200000000, -0.0004769600000000 ] - [ -0.0002797600000000, 0.0003634500000000, -0.0000284500000000 ] - [ 0.0002831000000000, -0.0001038900000000, 0.0000611800000000 ] - [ 0.0000427700000000, 0.0000126800000000, 0.0000736800000000 ] - [ -0.0011667600000000, 0.0002991100000000, -0.0098581300000000 ] - [ -0.0152312400000000, 0.0068154100000000, 0.0007324200000000 ] - [ 0.0001870700000000, 0.0002213100000000, -0.0002934100000000 ] - [ -0.0004477000000000, -0.0001165100000000, -0.0006878500000000 ] - [ 0.0089413400000000, 0.0003736400000000, -0.0081616400000000 ] - [ -0.0064412600000000, 0.0009227400000000, -0.0017365800000000 ] - [ 0.0000424300000000, -0.0000348400000000, -0.0000130100000000 ] - [ 0.0000439700000000, -0.0004799700000000, -0.0001451000000000 ] - [ 0.0152892800000000, -0.0092189100000000, -0.0153452900000000 ] - [ -0.0067563000000000, 0.0035757300000000, 0.1454804800000000 ] - [ 0.0001319300000000, -0.0002475400000000, -0.0005510800000000 ] - [ 0.0001626200000000, -0.0001411400000000, -0.0017841600000000 ] - [ -0.0002927800000000, 0.0001851200000000, 0.0000877800000000 ] - [ -0.0003438200000000, 0.0005798000000000, -0.0002981300000000 ] - [ 0.0013357200000000, 0.0000343300000000, -0.0009983700000000 ] - [ -0.0000322900000000, -0.0022319800000000, 0.0016366700000000 ] - [ -0.0004689500000000, 0.0002560000000000, -0.0006579200000000 ]- atom: 83 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0000743700000000, 0.0000088700000000, -0.0000741900000000 ] - [ 0.0623571900000000, -0.0268986400000000, 0.0175494200000000 ] - [ -0.0001154500000000, 0.0000890000000000, 0.0000883900000000 ] - [ -0.0000646700000000, -0.0001012400000000, 0.0000904000000000 ] - [ 0.0000623200000000, -0.0001231500000000, -0.0001342900000000 ] - [ 0.0012782800000000, -0.0008859900000000, -0.0002457600000000 ] - [ -0.0005675300000000, 0.0002697800000000, -0.0009910400000000 ] - [ -0.0001422700000000, 0.0000567700000000, 0.0000883100000000 ] - [ 0.0000197000000000, -0.0002670100000000, -0.0000838500000000 ] - [ -0.0004404600000000, 0.0011882200000000, 0.0003749800000000 ] - [ -0.0000275200000000, -0.0001952500000000, 0.0001373500000000 ] - [ 0.0016153900000000, 0.0008044500000000, 0.0000525400000000 ] - [ -0.0012921700000000, -0.0016459600000000, -0.0004890600000000 ] - [ -0.0002658800000000, 0.0000399800000000, 0.0001086300000000 ] - [ -0.0001696700000000, -0.0002229000000000, 0.0001210800000000 ] - [ -0.0010106500000000, -0.0004670500000000, 0.0018248200000000 ] - [ -0.0004576100000000, -0.0001700700000000, -0.0001159900000000 ] - [ -0.0003355400000000, 0.0001794900000000, 0.0000160300000000 ] - [ -0.0003162100000000, 0.0000273500000000, 0.0004063300000000 ] - [ -0.0002515100000000, -0.0000371800000000, 0.0003235800000000 ] - [ -0.0002050300000000, -0.0001376000000000, 0.0000130300000000 ] - [ -0.0001940700000000, 0.0001088800000000, 0.0000168600000000 ] - [ -0.0003456200000000, -0.0001132700000000, -0.0000017400000000 ] - [ -0.0005085400000000, 0.0004955800000000, 0.0002115400000000 ] - [ -0.0001335800000000, -0.0000889100000000, -0.0000621100000000 ] - [ -0.0006287400000000, -0.0002105500000000, -0.0010239300000000 ] - [ -0.0001534000000000, -0.0001551900000000, 0.0000546400000000 ] - [ -0.0002654500000000, 0.0005655900000000, 0.0001059900000000 ] - [ 0.0000980900000000, 0.0001005500000000, -0.0000338300000000 ] - [ -0.0000046300000000, -0.0002086000000000, -0.0004507300000000 ] - [ -0.0000322200000000, -0.0000677800000000, 0.0001757000000000 ] - [ 0.0000794800000000, 0.0001328600000000, -0.0000435300000000 ] - [ 0.0001129200000000, -0.0000149200000000, -0.0000926000000000 ] - [ -0.0000196800000000, -0.0003289800000000, -0.0000333000000000 ] - [ 0.0000925300000000, 0.0005963900000000, 0.0003268100000000 ] - [ -0.0001223300000000, -0.0001877800000000, -0.0008173800000000 ] - [ -0.0000169900000000, 0.0000119700000000, 0.0000611200000000 ] - [ 0.0002789200000000, 0.0005950300000000, -0.0000229200000000 ] - [ 0.0002862600000000, 0.0000499300000000, 0.0001135800000000 ] - [ 0.0003053600000000, -0.0000854000000000, -0.0002618700000000 ] - [ 0.0243204200000000, 0.0029819400000000, -0.0208555400000000 ] - [ 0.0002322600000000, 0.0000826300000000, -0.0000767200000000 ] - [ 0.0004256200000000, -0.0000381000000000, 0.0000607400000000 ] - [ 0.0183271900000000, 0.0165396600000000, 0.0109849100000000 ] - [ 0.0001399400000000, -0.0000591600000000, -0.0001731300000000 ] - [ 0.0016145400000000, -0.0001408500000000, 0.0000574300000000 ] - [ 0.0000721600000000, -0.0000937100000000, 0.0001150200000000 ] - [ 0.0097608200000000, -0.0002634600000000, 0.0012096500000000 ] - [ 0.0001589500000000, -0.0002382900000000, -0.0001923600000000 ] - [ 0.0120092600000000, -0.0008373800000000, -0.0059026300000000 ] - [ -0.0001746600000000, -0.0004465300000000, 0.0001941300000000 ] - [ -0.0000403200000000, -0.0001360600000000, 0.0004055600000000 ] - [ 0.0000727400000000, -0.0002358600000000, 0.0002310600000000 ] - [ -0.0003334000000000, -0.0000723100000000, 0.0000283700000000 ] - [ 0.0050993800000000, 0.0003277300000000, -0.0005624600000000 ] - [ 0.0001629400000000, 0.0001734200000000, 0.0000966700000000 ] - [ 0.0007936400000000, -0.0004057000000000, 0.0001918000000000 ] - [ 0.0008817900000000, -0.0001534800000000, -0.0004231800000000 ] - [ 0.0010459600000000, -0.0001239200000000, 0.0006751900000000 ] - [ -0.0000202800000000, -0.0003280400000000, 0.0003191200000000 ] - [ -0.0005057000000000, -0.0000633500000000, -0.0001588400000000 ] - [ 0.0001318700000000, 0.0007334400000000, 0.0004234500000000 ] - [ -0.0011808900000000, -0.0014371600000000, -0.0001929100000000 ] - [ -0.0020225500000000, 0.0002531600000000, 0.0004456800000000 ] - [ 0.0152725200000000, 0.0061306300000000, 0.0058915500000000 ] - [ 0.0001377800000000, 0.0000876200000000, -0.0004231300000000 ] - [ 0.0001098200000000, 0.0001536400000000, 0.0001755300000000 ] - [ 0.0173891100000000, -0.0012831600000000, -0.0074952100000000 ] - [ 0.0068132000000000, 0.0017112200000000, -0.0014546400000000 ] - [ 0.0005653600000000, -0.0000948800000000, -0.0000445700000000 ] - [ 0.0009893700000000, 0.0000467700000000, -0.0002180900000000 ] - [ 0.0009907900000000, -0.0000898600000000, 0.0002616200000000 ] - [ 0.0006027800000000, -0.0001173700000000, -0.0002489400000000 ] - [ 0.0004084300000000, -0.0001439800000000, 0.0001561000000000 ] - [ 0.0005967100000000, 0.0003069700000000, -0.0001100900000000 ] - [ 0.0004378800000000, 0.0002299800000000, -0.0001759600000000 ] - [ 0.0000474800000000, -0.0003090200000000, 0.0001224100000000 ] - [ 0.0009504700000000, -0.0035823200000000, -0.0016191400000000 ] - [ -0.0002281500000000, -0.0000619500000000, -0.0002058600000000 ] - [ 0.0006499000000000, 0.0020570600000000, 0.0037199300000000 ] - [ -0.0009416700000000, 0.0002987100000000, -0.0003137800000000 ] - [ -0.0007135200000000, 0.0003186400000000, 0.0001413400000000 ] - [ -0.1701619100000000, 0.0138060200000000, -0.0050875500000000 ] - [ -0.0007118500000000, 0.0001636500000000, 0.0000984000000000 ] - [ -0.0002971200000000, 0.0001661800000000, -0.0001520500000000 ] - [ -0.0031797000000000, -0.0007646400000000, 0.0069712900000000 ] - [ -0.0000707500000000, -0.0001078200000000, 0.0002228700000000 ] - [ 0.0007979900000000, -0.0076479200000000, -0.0043960400000000 ]- atom: 83 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ 0.0000655400000000, -0.0000280300000000, -0.0000621400000000 ] - [ -0.0643797600000000, 0.0280087300000000, -0.0184501400000000 ] - [ -0.0001439100000000, 0.0000841500000000, -0.0000178300000000 ] - [ -0.0001948400000000, -0.0000710600000000, -0.0000218300000000 ] - [ 0.0000596400000000, -0.0002156100000000, 0.0001086000000000 ] - [ -0.0011489000000000, 0.0012371200000000, 0.0002119900000000 ] - [ 0.0004060200000000, -0.0004309500000000, 0.0009800000000000 ] - [ -0.0000364300000000, 0.0001093900000000, -0.0000766500000000 ] - [ 0.0001184600000000, -0.0003100400000000, -0.0000366600000000 ] - [ 0.0005949700000000, -0.0005903900000000, -0.0004815900000000 ] - [ 0.0000771800000000, -0.0000743300000000, 0.0001133300000000 ] - [ -0.0015970900000000, -0.0005453200000000, 0.0001974300000000 ] - [ 0.0011779300000000, 0.0014773800000000, 0.0007878100000000 ] - [ 0.0001559600000000, 0.0001318900000000, 0.0001944900000000 ] - [ 0.0002415500000000, -0.0001356900000000, 0.0000506400000000 ] - [ 0.0010811500000000, 0.0008348400000000, -0.0016635300000000 ] - [ 0.0004309500000000, -0.0002359200000000, 0.0002536900000000 ] - [ 0.0003087300000000, 0.0002263100000000, 0.0001217200000000 ] - [ 0.0004471200000000, -0.0000322500000000, 0.0000802500000000 ] - [ 0.0003818600000000, 0.0000423200000000, 0.0001622900000000 ] - [ 0.0000342000000000, 0.0001627800000000, 0.0001318700000000 ] - [ 0.0000229900000000, -0.0001326700000000, 0.0001286900000000 ] - [ -0.0000528000000000, -0.0002911200000000, 0.0000389800000000 ] - [ 0.0001110300000000, -0.0000912100000000, -0.0001747600000000 ] - [ 0.0001023300000000, -0.0000704600000000, -0.0002068800000000 ] - [ 0.0005987500000000, 0.0003720200000000, 0.0007600500000000 ] - [ -0.0000132800000000, -0.0000746800000000, 0.0000095100000000 ] - [ 0.0000990500000000, -0.0003352500000000, -0.0000419400000000 ] - [ 0.0000298800000000, -0.0000109200000000, -0.0002784800000000 ] - [ 0.0001326300000000, 0.0001180000000000, 0.0001362900000000 ] - [ -0.0000338300000000, -0.0001024500000000, -0.0001358400000000 ] - [ -0.0001424300000000, 0.0000371400000000, 0.0000808500000000 ] - [ -0.0001225800000000, 0.0002317900000000, -0.0000305800000000 ] - [ 0.0000082200000000, 0.0001113400000000, -0.0000888900000000 ] - [ 0.0000027900000000, -0.0003266000000000, -0.0001950200000000 ] - [ 0.0002137900000000, -0.0000815900000000, 0.0009380500000000 ] - [ -0.0000543600000000, -0.0000202700000000, -0.0002837300000000 ] - [ -0.0003495900000000, -0.0005808500000000, -0.0001996800000000 ] - [ -0.0004243400000000, -0.0001121800000000, -0.0001798700000000 ] - [ -0.0004428200000000, 0.0001452200000000, 0.0001929700000000 ] - [ -0.0243219200000000, -0.0029745700000000, 0.0204171900000000 ] - [ -0.0003084300000000, -0.0000064000000000, 0.0000428700000000 ] - [ 0.0000802000000000, -0.0000343700000000, -0.0000539600000000 ] - [ -0.0178355100000000, -0.0162877100000000, -0.0108559900000000 ] - [ -0.0001335100000000, 0.0001547700000000, 0.0000171800000000 ] - [ -0.0016075100000000, 0.0000397400000000, -0.0002097700000000 ] - [ 0.0000167200000000, 0.0005081400000000, -0.0002420600000000 ] - [ -0.0096610400000000, -0.0001508200000000, -0.0013301200000000 ] - [ 0.0001253400000000, 0.0000337100000000, 0.0001155100000000 ] - [ -0.0117238400000000, 0.0009890600000000, 0.0059613000000000 ] - [ 0.0004922800000000, 0.0004167900000000, -0.0000365500000000 ] - [ 0.0003562100000000, 0.0001539300000000, -0.0002396900000000 ] - [ -0.0003546200000000, 0.0001695000000000, -0.0000129200000000 ] - [ 0.0000575200000000, 0.0001417300000000, 0.0001951500000000 ] - [ -0.0048397400000000, -0.0005350900000000, 0.0007154800000000 ] - [ -0.0002752000000000, -0.0000691800000000, -0.0000862600000000 ] - [ -0.0006565600000000, 0.0003332400000000, -0.0002153900000000 ] - [ -0.0007457700000000, 0.0002161000000000, 0.0004136600000000 ] - [ -0.0011425900000000, 0.0004386200000000, -0.0004454800000000 ] - [ -0.0000835800000000, 0.0000205000000000, -0.0000825800000000 ] - [ 0.0006771300000000, -0.0002458000000000, -0.0000561700000000 ] - [ 0.0000373400000000, -0.0004219500000000, -0.0006357300000000 ] - [ 0.0011364000000000, 0.0012298800000000, 0.0000537200000000 ] - [ 0.0019693500000000, -0.0000505400000000, -0.0005912700000000 ] - [ -0.0160423200000000, -0.0059453200000000, -0.0064429900000000 ] - [ -0.0004686300000000, -0.0002988200000000, 0.0000373000000000 ] - [ -0.0002983900000000, 0.0000030300000000, -0.0002037700000000 ] - [ -0.0181542100000000, 0.0012279300000000, 0.0076208400000000 ] - [ -0.0068747500000000, -0.0015287800000000, 0.0013108700000000 ] - [ -0.0004889800000000, -0.0000507000000000, -0.0000798400000000 ] - [ -0.0009562700000000, -0.0000117500000000, 0.0001510100000000 ] - [ -0.0009576900000000, 0.0000533500000000, -0.0003338500000000 ] - [ -0.0004024200000000, 0.0000921100000000, 0.0002825800000000 ] - [ -0.0002103600000000, 0.0001701900000000, -0.0001265700000000 ] - [ -0.0002734900000000, -0.0002482300000000, -0.0000851000000000 ] - [ -0.0001183700000000, -0.0002926600000000, -0.0000188700000000 ] - [ -0.0002413600000000, 0.0000521900000000, -0.0000172000000000 ] - [ -0.0011326400000000, 0.0038285000000000, 0.0017187800000000 ] - [ 0.0002411100000000, 0.0002234900000000, 0.0002689700000000 ] - [ -0.0006191000000000, -0.0022133900000000, -0.0036489300000000 ] - [ 0.0011009300000000, -0.0003978400000000, 0.0002087300000000 ] - [ 0.0008742100000000, -0.0002190000000000, -0.0002452900000000 ] - [ 0.1730906400000000, -0.0151929600000000, 0.0060259600000000 ] - [ 0.0005041000000000, -0.0002294100000000, -0.0000455200000000 ] - [ 0.0002336600000000, -0.0003554600000000, 0.0002311400000000 ] - [ 0.0029768700000000, 0.0010164100000000, -0.0069136500000000 ] - [ 0.0000984000000000, 0.0000770700000000, -0.0000788500000000 ] - [ -0.0009053600000000, 0.0077401900000000, 0.0044926900000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000925100000000, 0.0000406300000000, -0.0000742400000000 ] - [ -0.0278899300000000, 0.0124289300000000, -0.0078123600000000 ] - [ -0.0001975200000000, 0.0002553100000000, 0.0000862400000000 ] - [ -0.0001258400000000, -0.0000780800000000, 0.0000866200000000 ] - [ 0.0000442500000000, -0.0002152000000000, -0.0000063800000000 ] - [ -0.0005131400000000, 0.0009562400000000, 0.0012229100000000 ] - [ -0.0006344600000000, -0.0010936800000000, 0.0007979100000000 ] - [ -0.0001257800000000, -0.0000205200000000, 0.0000053700000000 ] - [ 0.0000630000000000, -0.0003602800000000, -0.0000533500000000 ] - [ -0.0012791400000000, -0.0015679600000000, -0.0008676300000000 ] - [ -0.0000851500000000, 0.0000802400000000, 0.0002313400000000 ] - [ 0.0003025700000000, 0.0017505500000000, -0.0009648600000000 ] - [ 0.0002593600000000, -0.0011147700000000, 0.0001168000000000 ] - [ -0.0001283500000000, 0.0000459800000000, 0.0002131700000000 ] - [ -0.0000376100000000, -0.0001981000000000, 0.0001077800000000 ] - [ 0.0001623100000000, -0.0005183600000000, -0.0001073600000000 ] - [ 0.0000527100000000, -0.0001920500000000, 0.0001750400000000 ] - [ -0.0000117100000000, 0.0001914400000000, 0.0000629000000000 ] - [ -0.0000282600000000, -0.0000433900000000, 0.0002994200000000 ] - [ 0.0000701900000000, 0.0000605500000000, 0.0002001800000000 ] - [ -0.0001226800000000, -0.0000401200000000, 0.0000577900000000 ] - [ -0.0001057500000000, -0.0001191400000000, 0.0000743400000000 ] - [ -0.0002286300000000, -0.0001206200000000, 0.0000525700000000 ] - [ 0.0000320900000000, 0.0002145400000000, -0.0000056500000000 ] - [ 0.0000632300000000, -0.0001119100000000, -0.0001744500000000 ] - [ 0.0002474200000000, 0.0003010900000000, 0.0004569600000000 ] - [ -0.0000762200000000, -0.0001050500000000, 0.0001740300000000 ] - [ 0.0000061500000000, 0.0000528700000000, 0.0000869500000000 ] - [ 0.0000618100000000, -0.0001621400000000, -0.0002012900000000 ] - [ -0.0003217600000000, 0.0003320000000000, -0.0006841900000000 ] - [ -0.0001218300000000, -0.0000071100000000, 0.0001557400000000 ] - [ -0.0001643900000000, -0.0002640300000000, 0.0002111000000000 ] - [ -0.0000738600000000, 0.0001178000000000, -0.0001293200000000 ] - [ -0.0004694600000000, -0.0010562500000000, 0.0000104700000000 ] - [ 0.0007633500000000, -0.0006199700000000, 0.0001612100000000 ] - [ 0.0002076900000000, 0.0000903900000000, 0.0003490200000000 ] - [ -0.0002689100000000, 0.0000420900000000, 0.0000926000000000 ] - [ 0.0006719100000000, -0.0007412600000000, -0.0004676100000000 ] - [ 0.0001049900000000, -0.0002659600000000, 0.0000205700000000 ] - [ -0.0005212100000000, 0.0004473000000000, -0.0006018100000000 ] - [ 0.0019625000000000, 0.0072916700000000, -0.0072156900000000 ] - [ 0.0000021000000000, -0.0000517900000000, 0.0000011000000000 ] - [ 0.0002773300000000, -0.0001664600000000, 0.0000224200000000 ] - [ 0.0147779000000000, 0.0341784600000000, 0.0138892700000000 ] - [ 0.0002408200000000, -0.0003403000000000, -0.0002660100000000 ] - [ 0.0006908100000000, 0.0017480200000000, -0.0010306000000000 ] - [ 0.0000048100000000, 0.0001922500000000, 0.0000191000000000 ] - [ 0.0020748500000000, 0.0448505800000000, 0.0103474800000000 ] - [ -0.0000712400000000, -0.0003338900000000, -0.0004778800000000 ] - [ 0.0004577700000000, 0.0099516800000000, -0.0165249200000000 ] - [ -0.0003407100000000, 0.0004253700000000, 0.0002692900000000 ] - [ -0.0002065900000000, 0.0001170300000000, -0.0000894600000000 ] - [ -0.0003491700000000, -0.0001638800000000, 0.0000243400000000 ] - [ -0.0001701500000000, -0.0000138600000000, 0.0001294000000000 ] - [ -0.0005933300000000, 0.0038394900000000, 0.0016157100000000 ] - [ 0.0000034600000000, 0.0000740900000000, -0.0000749700000000 ] - [ 0.0003941700000000, -0.0006593100000000, 0.0000691900000000 ] - [ 0.0000889000000000, -0.0003130000000000, 0.0000947100000000 ] - [ -0.0007359400000000, 0.0006349200000000, 0.0000871300000000 ] - [ 0.0000475400000000, -0.0002759500000000, 0.0004090400000000 ] - [ 0.0000580300000000, 0.0001479700000000, -0.0002823200000000 ] - [ 0.0008983600000000, 0.0018914300000000, 0.0021128700000000 ] - [ -0.0013821100000000, -0.0013115900000000, 0.0026369600000000 ] - [ -0.0003883900000000, 0.0009088100000000, -0.0013692600000000 ] - [ 0.0141016300000000, -0.0050385700000000, 0.0037290100000000 ] - [ 0.0001240900000000, -0.0004432800000000, -0.0007218900000000 ] - [ 0.0003230600000000, 0.0000959700000000, -0.0001076000000000 ] - [ 0.0023816700000000, 0.0018418600000000, 0.0045133500000000 ] - [ 0.0016669300000000, 0.0096306100000000, 0.0005010700000000 ] - [ 0.0001015900000000, -0.0000299400000000, -0.0000769500000000 ] - [ 0.0000072500000000, -0.0001942300000000, -0.0001069200000000 ] - [ -0.0000192100000000, -0.0002686400000000, -0.0003340000000000 ] - [ 0.0001599500000000, 0.0001035500000000, -0.0000415100000000 ] - [ 0.0002348900000000, 0.0001025800000000, -0.0001144000000000 ] - [ 0.0008430000000000, 0.0005000800000000, -0.0001812000000000 ] - [ 0.0002690400000000, 0.0001336200000000, 0.0004042700000000 ] - [ -0.0000539900000000, -0.0003824000000000, -0.0001942000000000 ] - [ -0.0013646000000000, 0.0007851300000000, -0.0002922500000000 ] - [ -0.0003786400000000, 0.0006819400000000, 0.0003050800000000 ] - [ 0.0003452700000000, -0.0017506000000000, -0.0016809700000000 ] - [ 0.0004228100000000, 0.0001562600000000, 0.0001187700000000 ] - [ -0.0002001900000000, 0.0016499900000000, 0.0001650700000000 ] - [ 0.0146265100000000, -0.1470221900000000, 0.0046487900000000 ] - [ -0.0003003600000000, 0.0000735500000000, 0.0002867100000000 ] - [ -0.0003829400000000, 0.0006394200000000, 0.0000806800000000 ] - [ -0.0046386300000000, 0.0090060900000000, -0.0063682800000000 ] - [ -0.0001628000000000, 0.0002804000000000, 0.0002058000000000 ] - [ -0.0155220200000000, 0.0184350800000000, -0.0024938600000000 ]- atom: 83 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000492700000000, -0.0000603200000000, -0.0000628100000000 ] - [ 0.0277065400000000, -0.0124592000000000, 0.0075821300000000 ] - [ -0.0000617000000000, -0.0000832800000000, -0.0000179800000000 ] - [ -0.0001330600000000, -0.0000944400000000, -0.0000189200000000 ] - [ 0.0000769800000000, -0.0001178900000000, -0.0000226200000000 ] - [ 0.0006323100000000, -0.0006372100000000, -0.0012357900000000 ] - [ 0.0004571000000000, 0.0009219700000000, -0.0007858100000000 ] - [ -0.0000520600000000, 0.0001898700000000, 0.0000089200000000 ] - [ 0.0000772300000000, -0.0002142000000000, -0.0000677400000000 ] - [ 0.0013925800000000, 0.0021042900000000, 0.0007267300000000 ] - [ 0.0001370000000000, -0.0003529400000000, 0.0000160100000000 ] - [ -0.0002651500000000, -0.0014904300000000, 0.0012219100000000 ] - [ -0.0003601200000000, 0.0009444500000000, 0.0001919400000000 ] - [ 0.0000190400000000, 0.0001257900000000, 0.0000901300000000 ] - [ 0.0001111900000000, -0.0001600200000000, 0.0000612900000000 ] - [ -0.0000859000000000, 0.0008702800000000, 0.0002887200000000 ] - [ -0.0000809800000000, -0.0002135200000000, -0.0000406800000000 ] - [ -0.0000176600000000, 0.0002138800000000, 0.0000711200000000 ] - [ 0.0001581500000000, 0.0000401200000000, 0.0001891100000000 ] - [ 0.0000600900000000, -0.0000569500000000, 0.0002877300000000 ] - [ -0.0000492800000000, 0.0000639800000000, 0.0000863300000000 ] - [ -0.0000669300000000, 0.0000956400000000, 0.0000700900000000 ] - [ -0.0001703800000000, -0.0002837000000000, -0.0000159400000000 ] - [ -0.0004316600000000, 0.0001869100000000, 0.0000408000000000 ] - [ -0.0000950400000000, -0.0000478900000000, -0.0000946000000000 ] - [ -0.0002764100000000, -0.0001388000000000, -0.0007216700000000 ] - [ -0.0000891500000000, -0.0001214300000000, -0.0001111000000000 ] - [ -0.0001718800000000, 0.0001710300000000, -0.0000268300000000 ] - [ 0.0000693200000000, 0.0002559800000000, -0.0001091800000000 ] - [ 0.0004505800000000, -0.0004251400000000, 0.0003681700000000 ] - [ 0.0000632000000000, -0.0001670000000000, -0.0001200600000000 ] - [ 0.0001051600000000, 0.0004378000000000, -0.0001747700000000 ] - [ 0.0000695400000000, 0.0000970400000000, 0.0000080800000000 ] - [ 0.0004625300000000, 0.0008384100000000, -0.0001289000000000 ] - [ -0.0006750700000000, 0.0008939800000000, -0.0000340700000000 ] - [ -0.0001097900000000, -0.0003573100000000, -0.0002162700000000 ] - [ 0.0001998700000000, -0.0000497500000000, -0.0003185400000000 ] - [ -0.0007471300000000, 0.0007555000000000, 0.0002426700000000 ] - [ -0.0002419600000000, 0.0002089600000000, -0.0000820100000000 ] - [ 0.0003813600000000, -0.0003854800000000, 0.0005318800000000 ] - [ -0.0020608100000000, -0.0074286300000000, 0.0072486600000000 ] - [ -0.0000786200000000, 0.0001273300000000, -0.0000315600000000 ] - [ 0.0002296000000000, 0.0000967700000000, -0.0000180500000000 ] - [ -0.0135273600000000, -0.0324764100000000, -0.0130562500000000 ] - [ -0.0002386500000000, 0.0004386200000000, 0.0001125900000000 ] - [ -0.0006847100000000, -0.0018043600000000, 0.0008429600000000 ] - [ 0.0000793500000000, 0.0002209700000000, -0.0001449600000000 ] - [ -0.0024771900000000, -0.0471635000000000, -0.0112905400000000 ] - [ 0.0003565500000000, 0.0001299200000000, 0.0004082000000000 ] - [ -0.0001489100000000, -0.0096344200000000, 0.0164751700000000 ] - [ 0.0006553000000000, -0.0004472800000000, -0.0001054300000000 ] - [ 0.0005248400000000, -0.0000939200000000, 0.0002512200000000 ] - [ 0.0000723900000000, 0.0000919000000000, 0.0002007600000000 ] - [ -0.0001070100000000, 0.0000852000000000, 0.0000957000000000 ] - [ 0.0005341400000000, -0.0039902500000000, -0.0015853100000000 ] - [ -0.0001146500000000, 0.0000291700000000, 0.0000850400000000 ] - [ -0.0002505000000000, 0.0006141300000000, -0.0000838500000000 ] - [ 0.0000512800000000, 0.0003781300000000, -0.0001198000000000 ] - [ 0.0006388700000000, -0.0003387600000000, 0.0001580300000000 ] - [ -0.0001548700000000, -0.0000339400000000, -0.0001761600000000 ] - [ 0.0001082600000000, -0.0004604200000000, 0.0000701900000000 ] - [ -0.0007282000000000, -0.0015686100000000, -0.0023231000000000 ] - [ 0.0013572800000000, 0.0011195400000000, -0.0028158800000000 ] - [ 0.0003512300000000, -0.0007069700000000, 0.0012333500000000 ] - [ -0.0145254400000000, 0.0051698500000000, -0.0041726700000000 ] - [ -0.0004573800000000, 0.0002293100000000, 0.0003450400000000 ] - [ -0.0005122500000000, 0.0000593000000000, 0.0000749600000000 ] - [ -0.0025591300000000, -0.0019976400000000, -0.0045938700000000 ] - [ -0.0016281200000000, -0.0094421200000000, -0.0006360300000000 ] - [ -0.0000291300000000, -0.0001163600000000, -0.0000486300000000 ] - [ 0.0000209400000000, 0.0002303400000000, 0.0000396900000000 ] - [ 0.0000453300000000, 0.0002330700000000, 0.0002627600000000 ] - [ 0.0000330500000000, -0.0001328800000000, 0.0000725700000000 ] - [ -0.0000396900000000, -0.0000718900000000, 0.0001458600000000 ] - [ -0.0005232600000000, -0.0004381300000000, -0.0000129900000000 ] - [ 0.0000486600000000, -0.0001947900000000, -0.0005952100000000 ] - [ -0.0001405300000000, 0.0001289500000000, 0.0002946000000000 ] - [ 0.0011859900000000, -0.0005205100000000, 0.0004072900000000 ] - [ 0.0003927000000000, -0.0005315500000000, -0.0002401600000000 ] - [ -0.0003284300000000, 0.0015781500000000, 0.0017458500000000 ] - [ -0.0002642600000000, -0.0002527800000000, -0.0002187400000000 ] - [ 0.0003549500000000, -0.0015590000000000, -0.0002675900000000 ] - [ -0.0143368600000000, 0.1467919500000000, -0.0044738500000000 ] - [ 0.0000943300000000, -0.0001395400000000, -0.0002385300000000 ] - [ 0.0003251300000000, -0.0008369300000000, -0.0000065200000000 ] - [ 0.0044932300000000, -0.0087387100000000, 0.0063832200000000 ] - [ 0.0001916100000000, -0.0003167400000000, -0.0000621800000000 ] - [ 0.0152732400000000, -0.0178145000000000, 0.0026867400000000 ]- atom: 83 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0000690900000000, -0.0000499200000000, -0.0000118700000000 ] - [ 0.0171244700000000, -0.0073330500000000, 0.0050044600000000 ] - [ -0.0001226400000000, 0.0001928800000000, -0.0000233800000000 ] - [ -0.0000791700000000, -0.0000277500000000, 0.0002248000000000 ] - [ 0.0000615900000000, -0.0001916000000000, -0.0001023900000000 ] - [ 0.0006098300000000, 0.0008219200000000, 0.0022930100000000 ] - [ 0.0008792600000000, 0.0001230900000000, -0.0019064100000000 ] - [ 0.0000246900000000, 0.0002658100000000, -0.0000029200000000 ] - [ 0.0000798400000000, -0.0002734500000000, -0.0000665000000000 ] - [ -0.0001988400000000, 0.0003172100000000, -0.0009665200000000 ] - [ 0.0000971800000000, -0.0002548600000000, 0.0000029300000000 ] - [ 0.0000331400000000, -0.0009208800000000, 0.0002314100000000 ] - [ -0.0000422000000000, -0.0007903700000000, -0.0008083400000000 ] - [ 0.0000137000000000, 0.0001170600000000, 0.0001004900000000 ] - [ 0.0000156900000000, -0.0002026400000000, 0.0000552200000000 ] - [ -0.0004391800000000, 0.0006121200000000, -0.0013676300000000 ] - [ 0.0000511200000000, -0.0002253100000000, -0.0000227500000000 ] - [ -0.0000628100000000, 0.0002076400000000, 0.0000884300000000 ] - [ -0.0000426400000000, 0.0000332200000000, 0.0003029700000000 ] - [ -0.0000513000000000, -0.0000669500000000, 0.0002661600000000 ] - [ -0.0000579000000000, 0.0000270400000000, -0.0000612700000000 ] - [ -0.0001418100000000, 0.0000877900000000, 0.0000808200000000 ] - [ -0.0001307100000000, -0.0002734700000000, -0.0000695000000000 ] - [ -0.0003442700000000, 0.0004691200000000, 0.0002016400000000 ] - [ 0.0000044300000000, -0.0001184300000000, -0.0000928300000000 ] - [ -0.0002048400000000, -0.0000123600000000, -0.0003940100000000 ] - [ -0.0000103700000000, -0.0000057700000000, -0.0004407900000000 ] - [ -0.0001363500000000, 0.0003357900000000, 0.0002094900000000 ] - [ 0.0000783500000000, -0.0000027200000000, -0.0001964600000000 ] - [ -0.0001791600000000, -0.0000872700000000, -0.0004460500000000 ] - [ 0.0004223600000000, -0.0003970100000000, -0.0009770900000000 ] - [ -0.0000407000000000, 0.0000218600000000, 0.0001132200000000 ] - [ -0.0001228100000000, 0.0001312500000000, -0.0002474300000000 ] - [ -0.0000893500000000, -0.0001436500000000, 0.0001062700000000 ] - [ 0.0007293600000000, -0.0005961100000000, 0.0005521900000000 ] - [ -0.0002514200000000, -0.0003174100000000, -0.0003077500000000 ] - [ 0.0005533000000000, 0.0003124200000000, -0.0009794200000000 ] - [ 0.0000310000000000, 0.0002973000000000, 0.0000903900000000 ] - [ 0.0000729700000000, -0.0000805400000000, 0.0000552500000000 ] - [ -0.0009235400000000, -0.0000512300000000, -0.0009090600000000 ] - [ -0.0190452900000000, -0.0083662000000000, 0.0328159700000000 ] - [ 0.0000140900000000, 0.0001482800000000, -0.0001383900000000 ] - [ 0.0001780200000000, 0.0000461300000000, -0.0000965400000000 ] - [ 0.0104971200000000, 0.0152770600000000, 0.0112733100000000 ] - [ 0.0000258700000000, 0.0001399100000000, -0.0001527500000000 ] - [ -0.0002012800000000, -0.0009889900000000, 0.0002293200000000 ] - [ 0.0002478400000000, 0.0006657700000000, -0.0004060200000000 ] - [ 0.0025361200000000, 0.0114669900000000, 0.0082195500000000 ] - [ -0.0000135200000000, -0.0002448300000000, -0.0003683000000000 ] - [ -0.0090662700000000, -0.0152260700000000, 0.0489837400000000 ] - [ 0.0000024000000000, -0.0001339500000000, -0.0002789700000000 ] - [ 0.0008771900000000, -0.0003927400000000, -0.0000949300000000 ] - [ 0.0000666000000000, -0.0000958000000000, -0.0000349100000000 ] - [ -0.0001490300000000, 0.0000281100000000, 0.0001139200000000 ] - [ -0.0004053500000000, 0.0017457700000000, 0.0032044000000000 ] - [ -0.0000213400000000, -0.0000315500000000, -0.0001179500000000 ] - [ 0.0004584700000000, -0.0003471300000000, -0.0002376300000000 ] - [ -0.0003039700000000, 0.0003589300000000, -0.0004506500000000 ] - [ -0.0005210200000000, 0.0007117200000000, 0.0010273700000000 ] - [ 0.0001170900000000, 0.0004624300000000, -0.0005332300000000 ] - [ 0.0000413700000000, -0.0005973300000000, 0.0000362000000000 ] - [ 0.0003620700000000, 0.0009332300000000, 0.0005482100000000 ] - [ -0.0002304400000000, 0.0026261100000000, 0.0027003300000000 ] - [ 0.0013007300000000, -0.0023724000000000, 0.0010812100000000 ] - [ 0.0082987900000000, 0.0003449800000000, 0.0078624300000000 ] - [ -0.0006855600000000, -0.0001925200000000, 0.0003819000000000 ] - [ -0.0000449000000000, 0.0003232900000000, 0.0002712500000000 ] - [ -0.0153830000000000, 0.0069572800000000, -0.0004138000000000 ] - [ -0.0010133700000000, 0.0002898300000000, 0.0096707800000000 ] - [ 0.0000447800000000, -0.0000749600000000, -0.0001395200000000 ] - [ 0.0002554000000000, -0.0000039600000000, -0.0001799700000000 ] - [ -0.0002542100000000, 0.0003039300000000, -0.0000369300000000 ] - [ -0.0005834100000000, 0.0000340300000000, 0.0004617500000000 ] - [ 0.0002536600000000, -0.0001448800000000, -0.0000452600000000 ] - [ 0.0003035300000000, 0.0000839300000000, -0.0000181100000000 ] - [ 0.0003923200000000, -0.0000228300000000, -0.0000319100000000 ] - [ -0.0005669600000000, 0.0001153300000000, 0.0007826000000000 ] - [ -0.0001163000000000, -0.0020354300000000, -0.0014061900000000 ] - [ -0.0002620200000000, 0.0007119300000000, 0.0003148400000000 ] - [ 0.0013832800000000, -0.0001454200000000, 0.0010892300000000 ] - [ 0.0003596900000000, -0.0002302700000000, 0.0017707100000000 ] - [ -0.0000919900000000, 0.0002626500000000, -0.0001110000000000 ] - [ -0.0054452000000000, 0.0045938700000000, -0.1446520600000000 ] - [ -0.0000289200000000, -0.0002966900000000, 0.0004675500000000 ] - [ 0.0000597000000000, -0.0005871800000000, 0.0003624100000000 ] - [ 0.0151901600000000, -0.0090136400000000, 0.0144347500000000 ] - [ 0.0001542500000000, -0.0001811300000000, 0.0001261000000000 ] - [ -0.0062665800000000, 0.0011436300000000, 0.0021364500000000 ]- atom: 83 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0000711600000000, 0.0000295600000000, -0.0001239200000000 ] - [ -0.0170589300000000, 0.0073868300000000, -0.0050247300000000 ] - [ -0.0001354800000000, -0.0000196700000000, 0.0000924800000000 ] - [ -0.0001792300000000, -0.0001446900000000, -0.0001557800000000 ] - [ 0.0000602800000000, -0.0001460500000000, 0.0000764200000000 ] - [ -0.0004982400000000, -0.0004638200000000, -0.0022953800000000 ] - [ -0.0010758600000000, -0.0002961500000000, 0.0019511700000000 ] - [ -0.0002024200000000, -0.0000978200000000, 0.0000128600000000 ] - [ 0.0000581400000000, -0.0003034700000000, -0.0000543200000000 ] - [ 0.0003455400000000, 0.0002628300000000, 0.0008485200000000 ] - [ -0.0000468500000000, -0.0000171400000000, 0.0002448300000000 ] - [ 0.0000344800000000, 0.0011886100000000, 0.0000191700000000 ] - [ -0.0000655100000000, 0.0006194200000000, 0.0011153700000000 ] - [ -0.0001232700000000, 0.0000559100000000, 0.0002003600000000 ] - [ 0.0000563000000000, -0.0001564800000000, 0.0001161200000000 ] - [ 0.0005200600000000, -0.0002540300000000, 0.0015287100000000 ] - [ -0.0000771700000000, -0.0001805800000000, 0.0001601300000000 ] - [ 0.0000380300000000, 0.0001980800000000, 0.0000495900000000 ] - [ 0.0001752700000000, -0.0000394800000000, 0.0001822500000000 ] - [ 0.0001845500000000, 0.0000723500000000, 0.0002188200000000 ] - [ -0.0001115400000000, -0.0000004700000000, 0.0002078300000000 ] - [ -0.0000279200000000, -0.0001142600000000, 0.0000653700000000 ] - [ -0.0002666400000000, -0.0001323200000000, 0.0001067500000000 ] - [ -0.0000526700000000, -0.0000619200000000, -0.0001641700000000 ] - [ -0.0000348400000000, -0.0000402700000000, -0.0001779400000000 ] - [ 0.0001787700000000, 0.0001739800000000, 0.0001308600000000 ] - [ -0.0001557700000000, -0.0002245100000000, 0.0005080700000000 ] - [ -0.0000286600000000, -0.0001080800000000, -0.0001463800000000 ] - [ 0.0000505300000000, 0.0000922600000000, -0.0001157600000000 ] - [ 0.0003069900000000, -0.0000025400000000, 0.0001326700000000 ] - [ -0.0004840900000000, 0.0002263600000000, 0.0010153400000000 ] - [ -0.0000218600000000, 0.0001474200000000, -0.0000754600000000 ] - [ 0.0001133600000000, 0.0000849600000000, 0.0001235900000000 ] - [ 0.0000800800000000, -0.0000736700000000, -0.0002291100000000 ] - [ -0.0006377800000000, 0.0008703300000000, -0.0004246000000000 ] - [ 0.0003433600000000, 0.0000484500000000, 0.0004354900000000 ] - [ -0.0006253000000000, -0.0003218100000000, 0.0007596700000000 ] - [ -0.0001023300000000, -0.0002875300000000, -0.0003140100000000 ] - [ -0.0002099800000000, 0.0000192000000000, -0.0001212500000000 ] - [ 0.0007785700000000, 0.0001110700000000, 0.0008386100000000 ] - [ 0.0198782200000000, 0.0088173800000000, -0.0344912700000000 ] - [ -0.0000898600000000, -0.0000708700000000, 0.0001038700000000 ] - [ 0.0003283600000000, -0.0001155400000000, 0.0001016500000000 ] - [ -0.0098872700000000, -0.0150188600000000, -0.0113150800000000 ] - [ -0.0000200900000000, -0.0000410400000000, -0.0000041600000000 ] - [ 0.0002179000000000, 0.0008960200000000, -0.0003696800000000 ] - [ -0.0001573000000000, -0.0002463500000000, 0.0002745900000000 ] - [ -0.0024629800000000, -0.0120019500000000, -0.0083375200000000 ] - [ 0.0002997400000000, 0.0000401500000000, 0.0002928800000000 ] - [ 0.0085723100000000, 0.0146911800000000, -0.0469849400000000 ] - [ 0.0003097600000000, 0.0001055500000000, 0.0004397800000000 ] - [ -0.0005639000000000, 0.0004159100000000, 0.0002596300000000 ] - [ -0.0003420700000000, 0.0000262900000000, 0.0002602100000000 ] - [ -0.0001263300000000, 0.0000411300000000, 0.0001095100000000 ] - [ 0.0003424900000000, -0.0018609500000000, -0.0031250600000000 ] - [ -0.0000920700000000, 0.0001369500000000, 0.0001295500000000 ] - [ -0.0003192100000000, 0.0002819200000000, 0.0002241700000000 ] - [ 0.0004492000000000, -0.0002881300000000, 0.0004253800000000 ] - [ 0.0004028900000000, -0.0004166600000000, -0.0008279400000000 ] - [ -0.0002185100000000, -0.0007574000000000, 0.0007597700000000 ] - [ 0.0001250000000000, 0.0002861400000000, -0.0002502600000000 ] - [ -0.0001910800000000, -0.0006188000000000, -0.0007618900000000 ] - [ 0.0001879300000000, -0.0028538300000000, -0.0028671100000000 ] - [ -0.0013229600000000, 0.0025513700000000, -0.0012158500000000 ] - [ -0.0087294400000000, -0.0001388800000000, -0.0083021700000000 ] - [ 0.0003423400000000, -0.0000197300000000, -0.0007554800000000 ] - [ -0.0001482600000000, -0.0001618000000000, -0.0002983600000000 ] - [ 0.0150479300000000, -0.0071079300000000, 0.0005038100000000 ] - [ 0.0010525200000000, -0.0001330000000000, -0.0098231900000000 ] - [ 0.0000244300000000, -0.0000696300000000, 0.0000158400000000 ] - [ -0.0002211500000000, 0.0000399700000000, 0.0001107300000000 ] - [ 0.0002848800000000, -0.0003424400000000, -0.0000339100000000 ] - [ 0.0007828100000000, -0.0000630800000000, -0.0004299100000000 ] - [ -0.0000550000000000, 0.0001752300000000, 0.0000782300000000 ] - [ 0.0000176400000000, -0.0000242000000000, -0.0001757100000000 ] - [ -0.0000728200000000, -0.0000353400000000, -0.0001611500000000 ] - [ 0.0003758600000000, -0.0003727300000000, -0.0006797400000000 ] - [ -0.0000756500000000, 0.0022915200000000, 0.0015203200000000 ] - [ 0.0002732800000000, -0.0005549900000000, -0.0002538700000000 ] - [ -0.0013513300000000, -0.0000280900000000, -0.0010389800000000 ] - [ -0.0002050000000000, 0.0001392100000000, -0.0018636700000000 ] - [ 0.0002483200000000, -0.0001663200000000, 0.0000079400000000 ] - [ 0.0054543000000000, -0.0045699700000000, 0.1444786900000000 ] - [ -0.0001727800000000, 0.0002311600000000, -0.0004125500000000 ] - [ -0.0001198000000000, 0.0003865300000000, -0.0002816200000000 ] - [ -0.0154028800000000, 0.0094259800000000, -0.0147709600000000 ] - [ -0.0001248700000000, 0.0001390000000000, 0.0000176600000000 ] - [ 0.0062814500000000, -0.0011409500000000, -0.0020003800000000 ]- atom: 85 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0115907900000000, -0.0081590500000000, -0.0256376100000000 ] - [ 0.0000990900000000, 0.0000536900000000, -0.0000798400000000 ] - [ 0.0000144500000000, 0.0001525000000000, -0.0000182100000000 ] - [ -0.0000773400000000, -0.0000781500000000, 0.0000466500000000 ] - [ -0.0007189700000000, -0.0003576900000000, 0.0002797900000000 ] - [ 0.0002021700000000, -0.0001026600000000, -0.0004241800000000 ] - [ -0.0000348200000000, -0.0001178700000000, 0.0000009200000000 ] - [ 0.0366829000000000, 0.0175469700000000, 0.0155140200000000 ] - [ 0.0007092100000000, 0.0007726200000000, -0.0004052900000000 ] - [ 0.0003502100000000, -0.0001553100000000, -0.0001756900000000 ] - [ -0.0008499700000000, 0.0004853000000000, -0.0003729600000000 ] - [ 0.0001019400000000, 0.0001329400000000, 0.0001318900000000 ] - [ -0.0001278200000000, -0.0001193800000000, 0.0000976600000000 ] - [ 0.0018539900000000, -0.0007568200000000, 0.0006411800000000 ] - [ -0.0016806900000000, -0.0007807500000000, -0.0003868900000000 ] - [ 0.0000399900000000, 0.0001738200000000, 0.0000407900000000 ] - [ -0.0000776900000000, -0.0001999300000000, 0.0000710800000000 ] - [ -0.0010337700000000, 0.0002260700000000, -0.0004766500000000 ] - [ -0.0000221400000000, -0.0000167100000000, 0.0002152300000000 ] - [ -0.0002363200000000, -0.0000623400000000, 0.0003773200000000 ] - [ -0.0001430700000000, -0.0000151700000000, 0.0000573900000000 ] - [ -0.0002968700000000, 0.0001707300000000, 0.0000358400000000 ] - [ -0.0002349200000000, -0.0002329600000000, 0.0000066900000000 ] - [ -0.0003510100000000, 0.0001732300000000, 0.0000466600000000 ] - [ -0.0000594400000000, -0.0000266300000000, -0.0002496200000000 ] - [ -0.0001187100000000, 0.0000782400000000, -0.0001267100000000 ] - [ -0.0000941700000000, -0.0001020200000000, -0.0000369800000000 ] - [ -0.0002579200000000, 0.0002098500000000, 0.0003270400000000 ] - [ 0.0000638700000000, 0.0000468000000000, -0.0001489400000000 ] - [ -0.0000221600000000, -0.0000073800000000, -0.0001500600000000 ] - [ -0.0000458800000000, -0.0000700700000000, -0.0000241500000000 ] - [ -0.0007631200000000, -0.0003340900000000, 0.0008672100000000 ] - [ -0.0003369800000000, 0.0005218500000000, -0.0002381900000000 ] - [ -0.0000289100000000, -0.0000703800000000, 0.0000213600000000 ] - [ 0.0000608100000000, 0.0000683500000000, 0.0001498300000000 ] - [ -0.0002535300000000, -0.0006015500000000, -0.0001251800000000 ] - [ 0.0000929500000000, 0.0000410500000000, -0.0002028300000000 ] - [ -0.0004720400000000, 0.0000621100000000, 0.0004276700000000 ] - [ -0.0000459100000000, -0.0000405500000000, 0.0001845000000000 ] - [ -0.0001398600000000, 0.0001112600000000, -0.0000965200000000 ] - [ 0.0000400100000000, 0.0000158300000000, -0.0000467100000000 ] - [ 0.0405006100000000, 0.0099580900000000, 0.0003637300000000 ] - [ 0.0018472300000000, -0.0010054100000000, 0.0003442400000000 ] - [ 0.0004897900000000, 0.0003205500000000, 0.0001517800000000 ] - [ 0.0097801300000000, -0.0173458800000000, 0.0018727300000000 ] - [ 0.0002081900000000, 0.0005696200000000, 0.0002345700000000 ] - [ 0.0007559000000000, 0.0006008900000000, -0.0009790100000000 ] - [ 0.0000192400000000, -0.0000099400000000, -0.0000798100000000 ] - [ -0.0006370200000000, -0.0000544900000000, 0.0000602100000000 ] - [ 0.0001888300000000, 0.0004764100000000, -0.0003209800000000 ] - [ 0.0000438700000000, -0.0001208100000000, -0.0001285900000000 ] - [ -0.0002138700000000, 0.0001471100000000, 0.0001255400000000 ] - [ -0.0001798500000000, -0.0000167600000000, 0.0000858400000000 ] - [ -0.0006391100000000, 0.0000177400000000, 0.0004147900000000 ] - [ -0.0000163900000000, -0.0001215200000000, 0.0000630400000000 ] - [ 0.0003131200000000, 0.0002369700000000, -0.0003849800000000 ] - [ 0.0043476500000000, 0.0007548500000000, -0.0018050800000000 ] - [ 0.0001551900000000, -0.0001675200000000, -0.0003166300000000 ] - [ -0.0000628500000000, 0.0002259600000000, 0.0001713700000000 ] - [ 0.0049980400000000, -0.0077543000000000, 0.0039626800000000 ] - [ 0.0000106400000000, -0.0000687700000000, -0.0002828800000000 ] - [ 0.0009806500000000, -0.0012173800000000, -0.0005454900000000 ] - [ -0.0002466600000000, -0.0002806300000000, -0.0001486200000000 ] - [ -0.0011354600000000, 0.0024686700000000, -0.0012961300000000 ] - [ 0.0000367200000000, 0.0001132200000000, -0.0001014000000000 ] - [ 0.0071349400000000, -0.0044178800000000, -0.0037099800000000 ] - [ 0.0088298900000000, 0.0004579300000000, 0.0015361000000000 ] - [ 0.0001777800000000, 0.0001914200000000, 0.0003404900000000 ] - [ 0.0002208400000000, 0.0005805800000000, 0.0000726400000000 ] - [ 0.0202533500000000, -0.0041329000000000, -0.0204198100000000 ] - [ 0.0004885500000000, -0.0001101800000000, 0.0007673600000000 ] - [ 0.0003064600000000, 0.0001681500000000, -0.0002375700000000 ] - [ 0.0001322800000000, -0.0000081100000000, 0.0000746700000000 ] - [ 0.0019035100000000, 0.0002279200000000, -0.0003559700000000 ] - [ 0.0002445400000000, -0.0001326600000000, 0.0000584300000000 ] - [ 0.0008514600000000, -0.0000183700000000, -0.0002929900000000 ] - [ -0.0000677800000000, -0.0001827200000000, 0.0004499800000000 ] - [ 0.0003070700000000, 0.0003656100000000, -0.0003923300000000 ] - [ -0.0001918700000000, 0.0000388500000000, 0.0000428000000000 ] - [ 0.0001420300000000, 0.0001403800000000, -0.0001410700000000 ] - [ -0.0001416900000000, -0.0004841100000000, 0.0002605200000000 ] - [ 0.0007048100000000, -0.0002180000000000, -0.0014381800000000 ] - [ -0.0003660200000000, -0.0003199800000000, 0.0001184100000000 ] - [ -0.0031467300000000, 0.0045638100000000, 0.0153771500000000 ] - [ -0.1426040600000000, 0.0046684600000000, 0.0135814500000000 ] - [ -0.0002993500000000, -0.0001997400000000, 0.0000173800000000 ] - [ 0.0019449900000000, 0.0039753700000000, 0.0020855400000000 ] - [ -0.0017479300000000, -0.0015162500000000, 0.0006265600000000 ]- atom: 85 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ -0.0113795100000000, 0.0082528300000000, 0.0258320600000000 ] - [ 0.0000414400000000, -0.0000332700000000, -0.0000569000000000 ] - [ -0.0002723500000000, 0.0000204700000000, 0.0000881000000000 ] - [ -0.0001803300000000, -0.0000943600000000, 0.0000233100000000 ] - [ 0.0008474200000000, 0.0000045900000000, -0.0003057400000000 ] - [ -0.0000823000000000, 0.0004466800000000, 0.0004015200000000 ] - [ -0.0001434900000000, -0.0000497100000000, 0.0000122400000000 ] - [ -0.0386606500000000, -0.0183280400000000, -0.0162176700000000 ] - [ -0.0005591900000000, -0.0013611300000000, 0.0002845600000000 ] - [ -0.0002125100000000, 0.0007359900000000, 0.0000575800000000 ] - [ 0.0009013700000000, -0.0007514100000000, 0.0006201500000000 ] - [ -0.0000516400000000, 0.0001388900000000, 0.0001160100000000 ] - [ 0.0000190400000000, -0.0000516900000000, 0.0002049100000000 ] - [ -0.0020002000000000, 0.0009591800000000, -0.0003361400000000 ] - [ 0.0017943600000000, 0.0004405300000000, 0.0005754500000000 ] - [ 0.0000332100000000, 0.0001858100000000, 0.0001302500000000 ] - [ 0.0000518600000000, -0.0002060100000000, 0.0000661000000000 ] - [ 0.0010102800000000, 0.0001784000000000, 0.0006163500000000 ] - [ 0.0001546400000000, 0.0000118600000000, 0.0002709800000000 ] - [ 0.0003675700000000, 0.0000672600000000, 0.0001082000000000 ] - [ -0.0000269500000000, 0.0000401400000000, 0.0000879000000000 ] - [ 0.0001266900000000, -0.0001954400000000, 0.0001103100000000 ] - [ -0.0001626600000000, -0.0001712800000000, 0.0000300900000000 ] - [ -0.0000454500000000, 0.0002316500000000, -0.0000093200000000 ] - [ 0.0000296600000000, -0.0001326800000000, -0.0000196300000000 ] - [ 0.0000880500000000, 0.0000813600000000, -0.0001427200000000 ] - [ -0.0000709600000000, -0.0001271500000000, 0.0001006100000000 ] - [ 0.0000912400000000, 0.0000202100000000, -0.0002614500000000 ] - [ 0.0000654800000000, 0.0000429300000000, -0.0001623200000000 ] - [ 0.0001506900000000, -0.0000832100000000, -0.0001609400000000 ] - [ -0.0000159100000000, -0.0000999300000000, 0.0000612000000000 ] - [ 0.0006944200000000, 0.0005019000000000, -0.0008237500000000 ] - [ 0.0003267900000000, -0.0003038400000000, 0.0001136500000000 ] - [ 0.0000233900000000, -0.0001428400000000, -0.0001442800000000 ] - [ 0.0000338100000000, 0.0001984700000000, -0.0000207000000000 ] - [ 0.0003454000000000, 0.0003297000000000, 0.0002513400000000 ] - [ -0.0001628000000000, -0.0000492600000000, -0.0000213400000000 ] - [ 0.0003971500000000, -0.0000504700000000, -0.0006444000000000 ] - [ -0.0000872200000000, -0.0000192300000000, -0.0002497500000000 ] - [ 0.0000039900000000, -0.0000497600000000, 0.0000288500000000 ] - [ -0.0001166500000000, -0.0000917200000000, 0.0000131600000000 ] - [ -0.0389299100000000, -0.0091035800000000, -0.0000125800000000 ] - [ -0.0013300700000000, 0.0009262300000000, -0.0003272300000000 ] - [ 0.0000149300000000, -0.0002519800000000, -0.0001466900000000 ] - [ -0.0098737400000000, 0.0173551900000000, -0.0020399800000000 ] - [ -0.0002052900000000, -0.0006713400000000, -0.0003919800000000 ] - [ -0.0006618800000000, -0.0001961400000000, 0.0008321500000000 ] - [ 0.0000695800000000, -0.0004075100000000, -0.0000480600000000 ] - [ 0.0009211800000000, -0.0001515500000000, -0.0001390900000000 ] - [ 0.0000962600000000, -0.0002735700000000, 0.0002456800000000 ] - [ 0.0002739000000000, 0.0000982500000000, 0.0002893100000000 ] - [ 0.0005279900000000, -0.0001174500000000, 0.0000324200000000 ] - [ -0.0000949200000000, -0.0000524900000000, 0.0001385400000000 ] - [ 0.0003473100000000, 0.0000473700000000, -0.0001985400000000 ] - [ -0.0000961200000000, 0.0000163800000000, -0.0000518100000000 ] - [ -0.0004297000000000, -0.0001349900000000, 0.0003968100000000 ] - [ -0.0041502200000000, -0.0008439300000000, 0.0017219400000000 ] - [ -0.0000162500000000, 0.0002344300000000, 0.0002986600000000 ] - [ -0.0000414500000000, 0.0000792800000000, 0.0000622500000000 ] - [ -0.0050397900000000, 0.0073921400000000, -0.0037216700000000 ] - [ 0.0001575600000000, -0.0002419100000000, 0.0000696500000000 ] - [ -0.0008120300000000, 0.0015181500000000, 0.0003289200000000 ] - [ 0.0002075700000000, 0.0000812700000000, 0.0000032800000000 ] - [ 0.0010920100000000, -0.0022365400000000, 0.0011393200000000 ] - [ -0.0003742200000000, 0.0001029700000000, -0.0002784300000000 ] - [ -0.0075283600000000, 0.0042435200000000, 0.0034153500000000 ] - [ -0.0090599700000000, -0.0002942400000000, -0.0015458900000000 ] - [ -0.0003706200000000, -0.0003546200000000, -0.0003704800000000 ] - [ -0.0001494000000000, -0.0004411700000000, -0.0001988900000000 ] - [ -0.0207991100000000, 0.0039362100000000, 0.0206104000000000 ] - [ -0.0004584400000000, 0.0001465000000000, -0.0008378300000000 ] - [ -0.0002753000000000, -0.0002067300000000, 0.0001676700000000 ] - [ 0.0000641800000000, -0.0000207500000000, -0.0000427500000000 ] - [ -0.0017000200000000, -0.0002001800000000, 0.0003914300000000 ] - [ 0.0000735600000000, 0.0001917500000000, -0.0002522100000000 ] - [ -0.0005294700000000, -0.0000373500000000, 0.0000952300000000 ] - [ -0.0001237700000000, -0.0000729300000000, -0.0003439400000000 ] - [ -0.0004947200000000, -0.0001077900000000, 0.0004912900000000 ] - [ 0.0001996900000000, 0.0001216200000000, 0.0000218600000000 ] - [ -0.0001290700000000, -0.0002983900000000, 0.0002039100000000 ] - [ 0.0002980800000000, 0.0003840700000000, -0.0003626000000000 ] - [ -0.0005574100000000, 0.0002997900000000, 0.0013153600000000 ] - [ 0.0001615500000000, 0.0003880700000000, -0.0000668300000000 ] - [ 0.0030118100000000, -0.0045714800000000, -0.0152274600000000 ] - [ 0.1432419800000000, -0.0047703000000000, -0.0138966600000000 ] - [ 0.0002398500000000, 0.0003965000000000, 0.0000615600000000 ] - [ -0.0019265000000000, -0.0039500600000000, -0.0019718000000000 ] - [ 0.0017916300000000, 0.0015528100000000, -0.0004874300000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0080811200000000, 0.0064641600000000, 0.0191987000000000 ] - [ 0.0001293000000000, 0.0001855900000000, -0.0000464400000000 ] - [ -0.0000333200000000, 0.0000413400000000, 0.0000481300000000 ] - [ -0.0001798000000000, -0.0000282200000000, 0.0000554900000000 ] - [ 0.0006519300000000, -0.0017714200000000, -0.0004438500000000 ] - [ -0.0000776900000000, -0.0007185500000000, -0.0010391700000000 ] - [ -0.0001556200000000, -0.0000632500000000, -0.0000978300000000 ] - [ 0.0175674900000000, 0.0149265200000000, 0.0122773500000000 ] - [ 0.0009667500000000, 0.0019131800000000, 0.0005728800000000 ] - [ 0.0000160800000000, -0.0000606200000000, -0.0002648800000000 ] - [ 0.0002177200000000, -0.0019657500000000, 0.0012420600000000 ] - [ -0.0003726000000000, -0.0009630000000000, 0.0005649900000000 ] - [ -0.0000336300000000, -0.0002229500000000, 0.0001995800000000 ] - [ -0.0013970700000000, 0.0005410200000000, 0.0001231400000000 ] - [ 0.0003320900000000, -0.0007809400000000, 0.0001372600000000 ] - [ 0.0000886300000000, 0.0000269000000000, -0.0000022700000000 ] - [ 0.0000183200000000, -0.0002116400000000, 0.0000789500000000 ] - [ 0.0001338000000000, 0.0003279000000000, -0.0000153000000000 ] - [ 0.0001721900000000, 0.0000179600000000, 0.0001957000000000 ] - [ 0.0001622700000000, -0.0000387900000000, 0.0002418400000000 ] - [ 0.0000219900000000, 0.0000622600000000, 0.0001571600000000 ] - [ -0.0001199400000000, 0.0001160600000000, 0.0000630900000000 ] - [ -0.0002230800000000, -0.0002723000000000, 0.0000246500000000 ] - [ -0.0002557900000000, 0.0001430800000000, 0.0000346900000000 ] - [ 0.0000262800000000, -0.0000339800000000, -0.0002027600000000 ] - [ 0.0000386100000000, -0.0000012000000000, -0.0002156100000000 ] - [ -0.0000933100000000, -0.0001449200000000, 0.0000259400000000 ] - [ -0.0001522500000000, 0.0002249600000000, 0.0002049000000000 ] - [ 0.0000680200000000, 0.0000628700000000, -0.0002205000000000 ] - [ 0.0001864800000000, -0.0001707800000000, -0.0000931400000000 ] - [ -0.0000050800000000, -0.0001043400000000, 0.0000805100000000 ] - [ 0.0003197800000000, 0.0003444000000000, 0.0000302700000000 ] - [ 0.0007871900000000, -0.0004755100000000, 0.0002427500000000 ] - [ 0.0002242100000000, 0.0000774200000000, -0.0001061300000000 ] - [ 0.0000079400000000, 0.0001707600000000, 0.0000931400000000 ] - [ -0.0001452300000000, -0.0004699800000000, -0.0000883600000000 ] - [ -0.0000956000000000, -0.0000952700000000, -0.0000381600000000 ] - [ -0.0007532800000000, 0.0006241100000000, 0.0005408200000000 ] - [ 0.0001603300000000, 0.0001294000000000, -0.0001773800000000 ] - [ 0.0003918000000000, -0.0003528100000000, 0.0001565700000000 ] - [ -0.0000995200000000, -0.0001516300000000, 0.0000570900000000 ] - [ 0.0103995400000000, 0.0075753200000000, 0.0019398700000000 ] - [ -0.0005296400000000, 0.0003483800000000, 0.0001290200000000 ] - [ 0.0000876900000000, -0.0002692500000000, -0.0002610400000000 ] - [ -0.0158608600000000, 0.0466494700000000, -0.0097034600000000 ] - [ -0.0000350900000000, -0.0002422900000000, -0.0002750200000000 ] - [ 0.0010731900000000, 0.0023969500000000, -0.0000678600000000 ] - [ 0.0001464800000000, -0.0007059100000000, 0.0000393400000000 ] - [ -0.0008018600000000, -0.0010449600000000, -0.0001575300000000 ] - [ 0.0004357700000000, -0.0008479400000000, 0.0005671800000000 ] - [ 0.0000794800000000, -0.0000996400000000, 0.0003995400000000 ] - [ 0.0004382500000000, -0.0002856800000000, -0.0003527300000000 ] - [ -0.0001440200000000, -0.0000207200000000, 0.0001064500000000 ] - [ -0.0003887400000000, -0.0002121200000000, 0.0005290100000000 ] - [ -0.0001420700000000, -0.0001864200000000, 0.0000295400000000 ] - [ -0.0002033700000000, -0.0003240600000000, -0.0001506000000000 ] - [ 0.0010588700000000, 0.0048160300000000, 0.0018305300000000 ] - [ -0.0003167900000000, -0.0001432500000000, 0.0007981000000000 ] - [ -0.0000566400000000, 0.0001043300000000, 0.0002374400000000 ] - [ -0.0098659400000000, 0.0295740800000000, -0.0191286400000000 ] - [ 0.0001101100000000, -0.0003061700000000, 0.0000466100000000 ] - [ -0.0023523500000000, 0.0013242700000000, 0.0012550500000000 ] - [ 0.0000154500000000, -0.0000339700000000, -0.0001524600000000 ] - [ 0.0017346000000000, 0.0021633400000000, 0.0001547000000000 ] - [ -0.0000816600000000, 0.0006026100000000, -0.0010354000000000 ] - [ -0.0059059000000000, 0.0113858200000000, 0.0108964600000000 ] - [ 0.0000963900000000, 0.0095451600000000, -0.0008952700000000 ] - [ -0.0000866700000000, 0.0017592100000000, 0.0005371100000000 ] - [ 0.0000439800000000, 0.0001992500000000, 0.0001409100000000 ] - [ 0.0010727800000000, 0.0005743600000000, -0.0092641900000000 ] - [ 0.0000187400000000, 0.0001405100000000, -0.0000210200000000 ] - [ -0.0001391400000000, 0.0000595800000000, 0.0000740300000000 ] - [ 0.0000813800000000, -0.0001318000000000, 0.0000009500000000 ] - [ 0.0002649100000000, -0.0001652000000000, -0.0000749000000000 ] - [ 0.0000118900000000, -0.0000763100000000, 0.0000964700000000 ] - [ -0.0003688000000000, 0.0001183500000000, -0.0000607700000000 ] - [ 0.0000842800000000, 0.0001179800000000, 0.0001189400000000 ] - [ 0.0005298500000000, 0.0004251900000000, -0.0002511000000000 ] - [ -0.0000187300000000, -0.0000025700000000, 0.0001879000000000 ] - [ -0.0002500000000000, 0.0003691200000000, 0.0001168500000000 ] - [ -0.0000513500000000, 0.0005734700000000, -0.0007249700000000 ] - [ -0.0019500100000000, -0.0015647900000000, -0.0001250400000000 ] - [ 0.0001607700000000, 0.0007691100000000, -0.0004625500000000 ] - [ 0.0008012400000000, 0.0088804200000000, 0.0093050900000000 ] - [ 0.0046379000000000, -0.1413890300000000, -0.0056236600000000 ] - [ 0.0002716200000000, 0.0000350100000000, -0.0002825300000000 ] - [ 0.0058474800000000, -0.0008011900000000, -0.0158500500000000 ] - [ -0.0003683200000000, 0.0010438900000000, 0.0017878400000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0081641700000000, -0.0065664700000000, -0.0192222400000000 ] - [ 0.0000115100000000, -0.0001654800000000, -0.0000897000000000 ] - [ -0.0002261800000000, 0.0001316800000000, 0.0000215400000000 ] - [ -0.0000776700000000, -0.0001446600000000, 0.0000148200000000 ] - [ -0.0005293600000000, 0.0014423400000000, 0.0004131600000000 ] - [ 0.0002012900000000, 0.0010590400000000, 0.0010235800000000 ] - [ -0.0000224000000000, -0.0001044000000000, 0.0001093800000000 ] - [ -0.0180121700000000, -0.0147316700000000, -0.0123899300000000 ] - [ -0.0008475200000000, -0.0025131400000000, -0.0006808800000000 ] - [ 0.0001224700000000, 0.0006402800000000, 0.0001456300000000 ] - [ -0.0001647200000000, 0.0016684200000000, -0.0009730200000000 ] - [ 0.0004204200000000, 0.0012447800000000, -0.0003247900000000 ] - [ -0.0000760200000000, 0.0000520000000000, 0.0001026600000000 ] - [ 0.0012803500000000, -0.0003842400000000, 0.0001689900000000 ] - [ -0.0002656700000000, 0.0004187500000000, 0.0000259600000000 ] - [ -0.0000168500000000, 0.0003331600000000, 0.0001740600000000 ] - [ -0.0000431300000000, -0.0001938700000000, 0.0000586700000000 ] - [ -0.0001551100000000, 0.0000785000000000, 0.0001535500000000 ] - [ -0.0000389100000000, -0.0000231500000000, 0.0002900900000000 ] - [ -0.0000318400000000, 0.0000451600000000, 0.0002441700000000 ] - [ -0.0001931800000000, -0.0000360300000000, -0.0000122000000000 ] - [ -0.0000506600000000, -0.0001413600000000, 0.0000828700000000 ] - [ -0.0001745800000000, -0.0001332900000000, 0.0000120900000000 ] - [ -0.0001417900000000, 0.0002628600000000, 0.0000025500000000 ] - [ -0.0000559600000000, -0.0001257200000000, -0.0000665800000000 ] - [ -0.0000703200000000, 0.0001614400000000, -0.0000540500000000 ] - [ -0.0000720000000000, -0.0000836100000000, 0.0000391800000000 ] - [ -0.0000138700000000, 0.0000044000000000, -0.0001404800000000 ] - [ 0.0000608500000000, 0.0000264600000000, -0.0000931100000000 ] - [ -0.0000582800000000, 0.0000818200000000, -0.0002207400000000 ] - [ -0.0000571400000000, -0.0000657400000000, -0.0000439700000000 ] - [ -0.0003836800000000, -0.0001748100000000, 0.0000085400000000 ] - [ -0.0008052700000000, 0.0007001100000000, -0.0003691600000000 ] - [ -0.0002307400000000, -0.0002924600000000, -0.0000167700000000 ] - [ 0.0000878700000000, 0.0000955300000000, 0.0000366100000000 ] - [ 0.0002409200000000, 0.0002036600000000, 0.0002163000000000 ] - [ 0.0000276300000000, 0.0000890000000000, -0.0001875700000000 ] - [ 0.0006758900000000, -0.0006147200000000, -0.0007622100000000 ] - [ -0.0002989100000000, -0.0001910200000000, 0.0001125200000000 ] - [ -0.0005334400000000, 0.0004176800000000, -0.0002249200000000 ] - [ 0.0000246600000000, 0.0000757700000000, -0.0000895200000000 ] - [ -0.0103454000000000, -0.0074854700000000, -0.0019448500000000 ] - [ 0.0010313200000000, -0.0004227500000000, -0.0001471600000000 ] - [ 0.0004191800000000, 0.0003402400000000, 0.0002687300000000 ] - [ 0.0166491800000000, -0.0484831600000000, 0.0103567800000000 ] - [ 0.0000386900000000, 0.0001390300000000, 0.0001146700000000 ] - [ -0.0009660000000000, -0.0019290100000000, -0.0000364200000000 ] - [ -0.0000571800000000, 0.0002861500000000, -0.0001659500000000 ] - [ 0.0010842000000000, 0.0008344200000000, 0.0000809400000000 ] - [ -0.0001500100000000, 0.0010475900000000, -0.0006409200000000 ] - [ 0.0002365500000000, 0.0000757400000000, -0.0002368600000000 ] - [ -0.0001279200000000, 0.0003237900000000, 0.0005063700000000 ] - [ -0.0001314300000000, -0.0000484100000000, 0.0001180000000000 ] - [ 0.0001118400000000, 0.0002785400000000, -0.0003039300000000 ] - [ 0.0000307900000000, 0.0000830800000000, -0.0000198000000000 ] - [ 0.0000977400000000, 0.0004280200000000, 0.0001641300000000 ] - [ -0.0008941700000000, -0.0049434500000000, -0.0019216700000000 ] - [ 0.0004537700000000, 0.0002056200000000, -0.0008142400000000 ] - [ -0.0000475700000000, 0.0002010900000000, -0.0000040600000000 ] - [ 0.0093946000000000, -0.0288179900000000, 0.0185730100000000 ] - [ 0.0000581800000000, -0.0000059100000000, -0.0002588900000000 ] - [ 0.0025457700000000, -0.0010257000000000, -0.0014855400000000 ] - [ -0.0000548900000000, -0.0001661400000000, 0.0000060500000000 ] - [ -0.0017567800000000, -0.0019470500000000, -0.0002933100000000 ] - [ -0.0002588100000000, -0.0003878200000000, 0.0006599900000000 ] - [ 0.0054161900000000, -0.0112800200000000, -0.0111260400000000 ] - [ -0.0003036100000000, -0.0093653300000000, 0.0008968900000000 ] - [ -0.0001102400000000, -0.0019331800000000, -0.0005680700000000 ] - [ 0.0000265300000000, -0.0000583800000000, -0.0002639200000000 ] - [ -0.0009686800000000, -0.0007031400000000, 0.0091545100000000 ] - [ 0.0000114100000000, -0.0001047700000000, -0.0000488000000000 ] - [ 0.0001738000000000, -0.0000972500000000, -0.0001456100000000 ] - [ 0.0001144500000000, 0.0001033700000000, 0.0000311100000000 ] - [ -0.0000686300000000, 0.0001943500000000, 0.0001082800000000 ] - [ 0.0003065100000000, 0.0001344900000000, -0.0002898800000000 ] - [ 0.0006927800000000, -0.0001800400000000, -0.0001350700000000 ] - [ -0.0002797200000000, -0.0003768400000000, -0.0000146000000000 ] - [ -0.0007202800000000, -0.0001667700000000, 0.0003520700000000 ] - [ 0.0000287500000000, 0.0001660100000000, -0.0001257100000000 ] - [ 0.0002648900000000, -0.0005316100000000, -0.0000532900000000 ] - [ 0.0002082000000000, -0.0006786400000000, 0.0006283900000000 ] - [ 0.0021107600000000, 0.0016487700000000, 0.0000187200000000 ] - [ -0.0003657700000000, -0.0007028800000000, 0.0005130300000000 ] - [ -0.0009765600000000, -0.0088663100000000, -0.0091325800000000 ] - [ -0.0048509200000000, 0.1418447100000000, 0.0053175100000000 ] - [ -0.0003311400000000, 0.0001617900000000, 0.0003619100000000 ] - [ -0.0058211500000000, 0.0006620200000000, 0.0161176000000000 ] - [ 0.0004101100000000, -0.0009977900000000, -0.0016666400000000 ]- atom: 85 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ -0.0266898700000000, 0.0194589800000000, 0.0615444000000000 ] - [ 0.0000716500000000, 0.0000539300000000, 0.0000490600000000 ] - [ -0.0001414800000000, 0.0001487100000000, 0.0000653700000000 ] - [ -0.0001131900000000, -0.0000850500000000, 0.0000304200000000 ] - [ -0.0007659000000000, 0.0017622000000000, -0.0010629200000000 ] - [ -0.0000735500000000, 0.0000299400000000, 0.0004128100000000 ] - [ -0.0001285000000000, -0.0000153200000000, -0.0002780800000000 ] - [ 0.0155335800000000, 0.0126114500000000, 0.0201690800000000 ] - [ -0.0007533600000000, -0.0006275800000000, 0.0014412700000000 ] - [ -0.0000924800000000, -0.0000757600000000, -0.0001992100000000 ] - [ 0.0004368800000000, -0.0010361400000000, -0.0004079000000000 ] - [ 0.0002548100000000, 0.0001607600000000, 0.0000621000000000 ] - [ -0.0001909100000000, -0.0001502300000000, 0.0000226100000000 ] - [ 0.0002355200000000, 0.0005001800000000, 0.0018173800000000 ] - [ 0.0011207900000000, 0.0003724100000000, -0.0001937700000000 ] - [ -0.0000873000000000, 0.0001559500000000, 0.0001925700000000 ] - [ -0.0000106200000000, -0.0002243300000000, 0.0000265300000000 ] - [ -0.0003355400000000, 0.0001894600000000, -0.0000315100000000 ] - [ 0.0002030500000000, -0.0000547400000000, 0.0001234200000000 ] - [ 0.0000099300000000, -0.0000200900000000, 0.0002999100000000 ] - [ -0.0000815000000000, 0.0000760200000000, 0.0000458500000000 ] - [ -0.0000462800000000, -0.0000507400000000, 0.0001480500000000 ] - [ -0.0001213100000000, -0.0003511300000000, 0.0000295000000000 ] - [ -0.0001356500000000, 0.0003267100000000, 0.0000031100000000 ] - [ 0.0000362900000000, 0.0000991500000000, -0.0005197200000000 ] - [ -0.0000111700000000, 0.0001242400000000, 0.0000100200000000 ] - [ -0.0001083400000000, -0.0001026300000000, -0.0001464100000000 ] - [ -0.0000473500000000, 0.0002357100000000, 0.0004325300000000 ] - [ 0.0000207100000000, -0.0000283500000000, -0.0004622800000000 ] - [ 0.0001129300000000, -0.0001018400000000, 0.0000811300000000 ] - [ -0.0000653900000000, -0.0001318300000000, -0.0001698600000000 ] - [ 0.0006009100000000, 0.0001635600000000, 0.0003781300000000 ] - [ -0.0003893700000000, 0.0004166400000000, -0.0001291000000000 ] - [ 0.0004361800000000, -0.0000404500000000, -0.0003248000000000 ] - [ 0.0000020200000000, 0.0002284800000000, -0.0000951600000000 ] - [ -0.0000495700000000, -0.0002581800000000, 0.0001002700000000 ] - [ -0.0000176600000000, 0.0000197200000000, -0.0001763500000000 ] - [ 0.0003363400000000, 0.0001853300000000, -0.0000428000000000 ] - [ 0.0001315700000000, 0.0001023300000000, -0.0003542600000000 ] - [ -0.0003447100000000, 0.0002623500000000, -0.0000020200000000 ] - [ 0.0000523000000000, -0.0000875300000000, -0.0002064300000000 ] - [ -0.0021292100000000, 0.0008195800000000, 0.0086471300000000 ] - [ 0.0011107900000000, -0.0001403900000000, 0.0015239000000000 ] - [ 0.0001926200000000, -0.0007660800000000, -0.0001912400000000 ] - [ 0.0004477800000000, -0.0083896200000000, 0.0114199700000000 ] - [ -0.0002072600000000, -0.0008738200000000, -0.0007740600000000 ] - [ -0.0003650600000000, 0.0007548200000000, 0.0014857700000000 ] - [ 0.0000427600000000, -0.0002915400000000, -0.0001903600000000 ] - [ -0.0014604900000000, -0.0008277100000000, -0.0013073600000000 ] - [ 0.0001221600000000, 0.0006139700000000, -0.0002270100000000 ] - [ 0.0000330800000000, 0.0001041900000000, 0.0001955600000000 ] - [ -0.0000095700000000, -0.0005040700000000, 0.0009377900000000 ] - [ -0.0002275300000000, -0.0001208200000000, -0.0000743700000000 ] - [ -0.0001462300000000, 0.0002844500000000, 0.0008222600000000 ] - [ 0.0000660200000000, 0.0000299200000000, 0.0001966200000000 ] - [ -0.0006047700000000, 0.0000863300000000, -0.0004527200000000 ] - [ -0.0007393900000000, 0.0017260300000000, 0.0084519700000000 ] - [ -0.0000132000000000, 0.0002943200000000, -0.0002590200000000 ] - [ 0.0000328800000000, 0.0000513000000000, -0.0002241800000000 ] - [ 0.0047824100000000, -0.0202003900000000, 0.0216800100000000 ] - [ 0.0001220200000000, -0.0001833400000000, 0.0005772500000000 ] - [ 0.0003322400000000, 0.0005639400000000, -0.0020850200000000 ] - [ 0.0000102300000000, 0.0000703800000000, 0.0003304900000000 ] - [ -0.0010944400000000, 0.0002594400000000, -0.0012824600000000 ] - [ -0.0003029500000000, -0.0000861500000000, 0.0002738500000000 ] - [ -0.0012093000000000, 0.0055677100000000, -0.0033085600000000 ] - [ 0.0013116200000000, -0.0015435500000000, 0.0069257400000000 ] - [ 0.0003012600000000, -0.0003172000000000, -0.0010309000000000 ] - [ 0.0002738400000000, 0.0000395900000000, 0.0001501700000000 ] - [ -0.0086458900000000, -0.0058887800000000, -0.0018541700000000 ] - [ 0.0002426100000000, -0.0000372700000000, 0.0004763200000000 ] - [ -0.0000645000000000, 0.0001752200000000, -0.0001019800000000 ] - [ 0.0000991800000000, 0.0000043700000000, 0.0004784500000000 ] - [ 0.0004213300000000, 0.0002354100000000, -0.0008968500000000 ] - [ -0.0000287300000000, 0.0001439500000000, 0.0001734700000000 ] - [ 0.0004361900000000, -0.0002876200000000, -0.0003052000000000 ] - [ -0.0001062000000000, 0.0001348500000000, 0.0001860600000000 ] - [ -0.0001931300000000, -0.0000923300000000, -0.0002391600000000 ] - [ 0.0000283800000000, -0.0001371400000000, 0.0009482400000000 ] - [ 0.0001615900000000, -0.0000515400000000, -0.0005241900000000 ] - [ 0.0002551000000000, -0.0003743300000000, 0.0002853100000000 ] - [ -0.0034328000000000, -0.0017107800000000, 0.0009708200000000 ] - [ -0.0002925300000000, 0.0000764800000000, 0.0003454500000000 ] - [ 0.0068413400000000, 0.0064302300000000, 0.0148384200000000 ] - [ 0.0144605600000000, -0.0060124700000000, -0.1717225800000000 ] - [ -0.0000507800000000, 0.0004217600000000, 0.0008538200000000 ] - [ -0.0015381500000000, -0.0078736500000000, 0.0204919300000000 ] - [ 0.0019396900000000, 0.0035800600000000, 0.0007016800000000 ]- atom: 85 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ 0.0258007100000000, -0.0186812800000000, -0.0596739600000000 ] - [ 0.0000687600000000, -0.0000318800000000, -0.0001843800000000 ] - [ -0.0001165400000000, 0.0000221200000000, 0.0000055500000000 ] - [ -0.0001452700000000, -0.0000859700000000, 0.0000406600000000 ] - [ 0.0008765900000000, -0.0020881000000000, 0.0010396900000000 ] - [ 0.0001959000000000, 0.0003126500000000, -0.0004390200000000 ] - [ -0.0000491100000000, -0.0001523000000000, 0.0002920500000000 ] - [ -0.0158360300000000, -0.0125480500000000, -0.0200963200000000 ] - [ 0.0008746200000000, 0.0000584000000000, -0.0015692900000000 ] - [ 0.0002296500000000, 0.0006562500000000, 0.0000807200000000 ] - [ -0.0003939100000000, 0.0007883400000000, 0.0006432300000000 ] - [ -0.0002071100000000, 0.0001023400000000, 0.0001924800000000 ] - [ 0.0000835000000000, -0.0000214200000000, 0.0002790200000000 ] - [ -0.0003334900000000, -0.0003285000000000, -0.0015186100000000 ] - [ -0.0010682600000000, -0.0007445300000000, 0.0003518200000000 ] - [ 0.0001599200000000, 0.0002032100000000, -0.0000184700000000 ] - [ -0.0000109500000000, -0.0001821400000000, 0.0001136100000000 ] - [ 0.0003148500000000, 0.0002161700000000, 0.0001740200000000 ] - [ -0.0000703100000000, 0.0000478800000000, 0.0003600500000000 ] - [ 0.0001259600000000, 0.0000269400000000, 0.0001816500000000 ] - [ -0.0000854400000000, -0.0000492200000000, 0.0001007500000000 ] - [ -0.0001219000000000, 0.0000250800000000, -0.0000013600000000 ] - [ -0.0002718500000000, -0.0000544400000000, 0.0000068800000000 ] - [ -0.0002588300000000, 0.0000798500000000, 0.0000348100000000 ] - [ -0.0000661300000000, -0.0002584800000000, 0.0002514700000000 ] - [ -0.0000173600000000, 0.0000337000000000, -0.0002808900000000 ] - [ -0.0000562000000000, -0.0001296600000000, 0.0002115400000000 ] - [ -0.0001173400000000, -0.0000034700000000, -0.0003673100000000 ] - [ 0.0001060100000000, 0.0001139900000000, 0.0001510400000000 ] - [ 0.0000140800000000, 0.0000162100000000, -0.0003944500000000 ] - [ 0.0000022600000000, -0.0000357300000000, 0.0002064600000000 ] - [ -0.0006732200000000, 0.0000009200000000, -0.0003411600000000 ] - [ 0.0003800500000000, -0.0002029800000000, 0.0000032200000000 ] - [ -0.0004502900000000, -0.0001754600000000, 0.0002004600000000 ] - [ 0.0000916500000000, 0.0000365500000000, 0.0002234500000000 ] - [ 0.0001429100000000, -0.0000068000000000, 0.0000264000000000 ] - [ -0.0000508800000000, -0.0000290000000000, -0.0000464700000000 ] - [ -0.0004086400000000, -0.0001777300000000, -0.0001798600000000 ] - [ -0.0002657000000000, -0.0001652000000000, 0.0002848700000000 ] - [ 0.0002103500000000, -0.0001996800000000, -0.0000705100000000 ] - [ -0.0001310600000000, 0.0000099500000000, 0.0001712800000000 ] - [ 0.0020289200000000, -0.0007615100000000, -0.0086809700000000 ] - [ -0.0005884700000000, 0.0000690300000000, -0.0014831900000000 ] - [ 0.0003132300000000, 0.0008453400000000, 0.0002006200000000 ] - [ -0.0003621800000000, 0.0082857800000000, -0.0115725700000000 ] - [ 0.0002133300000000, 0.0007694200000000, 0.0006156400000000 ] - [ 0.0004492500000000, -0.0003399200000000, -0.0016271800000000 ] - [ 0.0000505400000000, -0.0001268100000000, 0.0000620500000000 ] - [ 0.0017470700000000, 0.0006328800000000, 0.0012328000000000 ] - [ 0.0001652900000000, -0.0004177600000000, 0.0001541800000000 ] - [ 0.0002778200000000, -0.0001188400000000, -0.0000283100000000 ] - [ 0.0003281800000000, 0.0005157800000000, -0.0007765600000000 ] - [ -0.0000448700000000, 0.0000538800000000, 0.0002967900000000 ] - [ -0.0001225300000000, -0.0002108800000000, -0.0006022900000000 ] - [ -0.0001811600000000, -0.0001361400000000, -0.0001843000000000 ] - [ 0.0005034400000000, 0.0000248500000000, 0.0004683500000000 ] - [ 0.0010392600000000, -0.0019798300000000, -0.0089469900000000 ] - [ 0.0001602600000000, -0.0002346700000000, 0.0002453600000000 ] - [ -0.0001364200000000, 0.0002516200000000, 0.0004614400000000 ] - [ -0.0050119700000000, 0.0203368100000000, -0.0216094600000000 ] - [ 0.0000432000000000, -0.0001288200000000, -0.0007935100000000 ] - [ -0.0001671500000000, -0.0002506500000000, 0.0018868100000000 ] - [ -0.0000496200000000, -0.0002752500000000, -0.0004775700000000 ] - [ 0.0010696200000000, -0.0000585900000000, 0.0011438600000000 ] - [ -0.0000450200000000, 0.0002979700000000, -0.0006615300000000 ] - [ 0.0008238000000000, -0.0057607300000000, 0.0030223100000000 ] - [ -0.0015331700000000, 0.0017295400000000, -0.0068009300000000 ] - [ -0.0004963700000000, 0.0001642700000000, 0.0010022300000000 ] - [ -0.0002078200000000, 0.0001037900000000, -0.0002767200000000 ] - [ 0.0086242300000000, 0.0057872800000000, 0.0018635400000000 ] - [ -0.0002036400000000, 0.0000734800000000, -0.0005517000000000 ] - [ 0.0000923400000000, -0.0002101300000000, 0.0000347400000000 ] - [ 0.0001002700000000, -0.0000319500000000, -0.0004466700000000 ] - [ -0.0002234200000000, -0.0002084600000000, 0.0009279100000000 ] - [ 0.0003546100000000, -0.0000894000000000, -0.0003650800000000 ] - [ -0.0001152200000000, 0.0002294700000000, 0.0001163000000000 ] - [ -0.0000849500000000, -0.0003982400000000, -0.0000785100000000 ] - [ 0.0000028000000000, 0.0003533300000000, 0.0003448100000000 ] - [ -0.0000204400000000, 0.0003027600000000, -0.0008939800000000 ] - [ -0.0001513900000000, -0.0001120700000000, 0.0005855300000000 ] - [ -0.0001042800000000, 0.0002818100000000, -0.0003851000000000 ] - [ 0.0036020600000000, 0.0018094200000000, -0.0010907200000000 ] - [ 0.0000948000000000, -0.0000115600000000, -0.0002934600000000 ] - [ -0.0070276900000000, -0.0063220300000000, -0.0143657900000000 ] - [ -0.0132309400000000, 0.0049543200000000, 0.1689965400000000 ] - [ -0.0000089300000000, -0.0002176700000000, -0.0007863200000000 ] - [ 0.0014796700000000, 0.0076839200000000, -0.0197551300000000 ] - [ -0.0019182800000000, -0.0035533800000000, -0.0005724400000000 ]- atom: 87 displacement: [ 0.0099999992995053, 0.0000000000000000, 0.0000037429791585 ] forces: - [ 0.0053465900000000, -0.0175023400000000, 0.0074370900000000 ] - [ 0.0000257300000000, -0.0000041800000000, -0.0001047400000000 ] - [ -0.0000713800000000, 0.0000721300000000, 0.0000754900000000 ] - [ 0.0000574900000000, -0.0001300600000000, -0.0000291600000000 ] - [ 0.0087478400000000, -0.0023781100000000, -0.0127822600000000 ] - [ 0.0001587500000000, 0.0003192200000000, 0.0000504300000000 ] - [ 0.0003436300000000, -0.0004909100000000, 0.0006107600000000 ] - [ 0.0002158300000000, 0.0004855600000000, 0.0006611500000000 ] - [ 0.0377108200000000, 0.0226884600000000, 0.0075229400000000 ] - [ 0.0001984900000000, 0.0001129900000000, -0.0000009700000000 ] - [ -0.0009654300000000, 0.0001588100000000, 0.0009098400000000 ] - [ 0.0000748000000000, 0.0002585200000000, 0.0000873500000000 ] - [ -0.0000181200000000, -0.0001426100000000, 0.0001698500000000 ] - [ -0.0017140300000000, -0.0000380000000000, -0.0001773300000000 ] - [ 0.0021699600000000, 0.0001129700000000, -0.0007975300000000 ] - [ -0.0000237600000000, 0.0001550600000000, 0.0001852600000000 ] - [ -0.0004595800000000, -0.0002294700000000, -0.0000512700000000 ] - [ -0.0001295400000000, 0.0001942800000000, 0.0000728100000000 ] - [ -0.0002112200000000, 0.0000634300000000, 0.0003252000000000 ] - [ -0.0009412600000000, -0.0004156300000000, 0.0006633500000000 ] - [ -0.0006254600000000, -0.0006067300000000, -0.0001763900000000 ] - [ -0.0001588400000000, 0.0000585400000000, 0.0000174100000000 ] - [ -0.0003004900000000, -0.0003204000000000, 0.0000547600000000 ] - [ -0.0002436800000000, 0.0002248400000000, 0.0000392600000000 ] - [ -0.0000985900000000, -0.0001375200000000, -0.0000832900000000 ] - [ -0.0001496900000000, 0.0000462300000000, -0.0001497800000000 ] - [ -0.0001827700000000, -0.0002011500000000, 0.0001040600000000 ] - [ -0.0000806200000000, 0.0001086600000000, 0.0000258500000000 ] - [ -0.0003219000000000, -0.0001670000000000, -0.0006759000000000 ] - [ -0.0001170700000000, 0.0000726200000000, -0.0001928000000000 ] - [ -0.0003692600000000, 0.0001906400000000, 0.0002024200000000 ] - [ -0.0000959400000000, 0.0000495100000000, -0.0000419400000000 ] - [ -0.0008702700000000, 0.0009756500000000, -0.0000017100000000 ] - [ -0.0001204700000000, -0.0001757200000000, -0.0001791100000000 ] - [ 0.0000365100000000, 0.0000760800000000, 0.0000371300000000 ] - [ 0.0001149400000000, -0.0000227800000000, 0.0001506200000000 ] - [ -0.0002482100000000, 0.0001996900000000, -0.0000475500000000 ] - [ 0.0000487000000000, -0.0000902700000000, -0.0002604500000000 ] - [ -0.0005640600000000, -0.0002958900000000, -0.0007776800000000 ] - [ -0.0003321500000000, 0.0002652700000000, 0.0000071100000000 ] - [ 0.0001663500000000, 0.0000147200000000, -0.0002321700000000 ] - [ 0.0018159200000000, -0.0005619800000000, -0.0006017800000000 ] - [ 0.0434336800000000, 0.0079805600000000, 0.0126502100000000 ] - [ 0.0003590000000000, 0.0000521200000000, 0.0000690100000000 ] - [ 0.0113250300000000, -0.0099319200000000, -0.0151670000000000 ] - [ 0.0001900400000000, -0.0001400200000000, -0.0003713900000000 ] - [ -0.0013844500000000, 0.0005832100000000, -0.0005597000000000 ] - [ 0.0000509700000000, -0.0001380200000000, -0.0000739500000000 ] - [ 0.0006237200000000, 0.0000730700000000, 0.0009896300000000 ] - [ 0.0001448500000000, 0.0001868000000000, -0.0001349500000000 ] - [ -0.0002130800000000, 0.0002200200000000, 0.0002514300000000 ] - [ -0.0000035400000000, -0.0001412100000000, 0.0001784000000000 ] - [ -0.0002080800000000, -0.0000105000000000, 0.0001300300000000 ] - [ -0.0005564600000000, 0.0006013700000000, -0.0002918500000000 ] - [ -0.0000353600000000, -0.0000322700000000, 0.0000053100000000 ] - [ -0.0002869300000000, -0.0007852500000000, 0.0003511500000000 ] - [ -0.0002111100000000, -0.0004797400000000, 0.0002677800000000 ] - [ 0.0032541800000000, -0.0007571600000000, -0.0013227000000000 ] - [ 0.0000969700000000, 0.0003361300000000, -0.0002177100000000 ] - [ -0.0004193800000000, -0.0000269200000000, 0.0002936600000000 ] - [ 0.0012315400000000, -0.0014112000000000, 0.0023642000000000 ] - [ 0.0007063300000000, -0.0001197800000000, -0.0008646300000000 ] - [ -0.0001736400000000, -0.0002557300000000, -0.0000840800000000 ] - [ -0.0002471800000000, -0.0000553500000000, 0.0001963500000000 ] - [ -0.0002578000000000, -0.0000535000000000, -0.0000652800000000 ] - [ 0.0088529800000000, 0.0014018700000000, -0.0009752800000000 ] - [ 0.0087050200000000, -0.0117919300000000, -0.0002240200000000 ] - [ -0.0000352000000000, -0.0001528600000000, -0.0001353700000000 ] - [ 0.0004245400000000, 0.0004565100000000, -0.0008818800000000 ] - [ 0.0164109700000000, -0.0208193400000000, 0.0113859800000000 ] - [ 0.0002986700000000, -0.0000886500000000, -0.0002047000000000 ] - [ 0.0005269300000000, 0.0008090300000000, -0.0001226500000000 ] - [ 0.0008855500000000, 0.0005651500000000, -0.0002495300000000 ] - [ 0.0001812700000000, -0.0001043000000000, 0.0001171500000000 ] - [ 0.0006516300000000, -0.0000240600000000, 0.0001679400000000 ] - [ 0.0021024600000000, -0.0003482400000000, 0.0001396000000000 ] - [ -0.0000846400000000, 0.0001881800000000, -0.0002249400000000 ] - [ -0.0002098600000000, 0.0001291300000000, 0.0000461300000000 ] - [ 0.0005257700000000, 0.0007326400000000, 0.0002207100000000 ] - [ 0.0000520400000000, -0.0002845300000000, 0.0000123300000000 ] - [ 0.0011508100000000, -0.0014173100000000, -0.0000015600000000 ] - [ 0.0002286300000000, 0.0000351600000000, 0.0004326300000000 ] - [ -0.0001863000000000, -0.0001458200000000, 0.0001639900000000 ] - [ 0.0007995800000000, 0.0154238800000000, -0.0062575600000000 ] - [ 0.0019016700000000, 0.0057421900000000, -0.0014308700000000 ] - [ -0.0017942300000000, 0.0004854400000000, 0.0019714700000000 ] - [ -0.1465376300000000, 0.0103275900000000, -0.0044511100000000 ] - [ -0.0000884900000000, 0.0001924400000000, -0.0001386900000000 ]- atom: 87 displacement: [ -0.0099999992995053, 0.0000000000000000, -0.0000037429791585 ] forces: - [ -0.0050846900000000, 0.0176334500000000, -0.0076333700000000 ] - [ 0.0001147100000000, 0.0000236200000000, -0.0000324800000000 ] - [ -0.0001859400000000, 0.0001003400000000, -0.0000054100000000 ] - [ -0.0003157600000000, -0.0000415800000000, 0.0000984300000000 ] - [ -0.0085997000000000, 0.0020662300000000, 0.0128735500000000 ] - [ -0.0000376200000000, 0.0000194200000000, -0.0000742600000000 ] - [ -0.0005220200000000, 0.0003267100000000, -0.0006052800000000 ] - [ -0.0003826200000000, -0.0003310000000000, -0.0006498100000000 ] - [ -0.0394162600000000, -0.0243108200000000, -0.0082222900000000 ] - [ -0.0000599300000000, 0.0004623000000000, -0.0001202600000000 ] - [ 0.0010188500000000, -0.0004291800000000, -0.0006613900000000 ] - [ -0.0000251300000000, 0.0000130200000000, 0.0001621300000000 ] - [ -0.0000907100000000, -0.0000288900000000, 0.0001324500000000 ] - [ 0.0016397100000000, 0.0002247200000000, 0.0004877000000000 ] - [ -0.0021479000000000, -0.0004482800000000, 0.0009867300000000 ] - [ 0.0000967400000000, 0.0002040400000000, -0.0000141500000000 ] - [ 0.0004381800000000, -0.0001760600000000, 0.0001898200000000 ] - [ 0.0001040900000000, 0.0002113700000000, 0.0000651200000000 ] - [ 0.0003434500000000, -0.0000694000000000, 0.0001603600000000 ] - [ 0.0010751600000000, 0.0004214200000000, -0.0001774600000000 ] - [ 0.0004589500000000, 0.0006350800000000, 0.0003229500000000 ] - [ -0.0000114400000000, -0.0000836600000000, 0.0001273500000000 ] - [ -0.0000958600000000, -0.0000839300000000, -0.0000179500000000 ] - [ -0.0001528600000000, 0.0001813000000000, -0.0000018000000000 ] - [ 0.0000677400000000, -0.0000227000000000, -0.0001856500000000 ] - [ 0.0001200200000000, 0.0001132600000000, -0.0001196200000000 ] - [ 0.0000180500000000, -0.0000276500000000, -0.0000397600000000 ] - [ -0.0000847200000000, 0.0001209300000000, 0.0000378400000000 ] - [ 0.0004474200000000, 0.0002541700000000, 0.0003596100000000 ] - [ 0.0002457800000000, -0.0001614500000000, -0.0001189300000000 ] - [ 0.0003082500000000, -0.0003581900000000, -0.0001646400000000 ] - [ 0.0000324000000000, 0.0001202800000000, 0.0000770000000000 ] - [ 0.0008574300000000, -0.0007514800000000, -0.0001201100000000 ] - [ 0.0001103200000000, -0.0000406200000000, 0.0000551000000000 ] - [ 0.0000587600000000, 0.0001896600000000, 0.0000915500000000 ] - [ -0.0000193500000000, -0.0002434800000000, -0.0000220500000000 ] - [ 0.0001844200000000, -0.0002109200000000, -0.0001786900000000 ] - [ -0.0001179500000000, 0.0000972200000000, 0.0000348800000000 ] - [ 0.0004209400000000, 0.0002309000000000, 0.0007028600000000 ] - [ 0.0001942900000000, -0.0002017500000000, -0.0000745700000000 ] - [ -0.0002438900000000, -0.0000910800000000, 0.0002004700000000 ] - [ -0.0018726000000000, 0.0006485100000000, 0.0005475100000000 ] - [ -0.0410743800000000, -0.0073102200000000, -0.0120464500000000 ] - [ 0.0001465600000000, 0.0000190700000000, -0.0000634400000000 ] - [ -0.0113528000000000, 0.0099143600000000, 0.0148105100000000 ] - [ -0.0001842200000000, 0.0000435500000000, 0.0002143300000000 ] - [ 0.0014680500000000, -0.0001696300000000, 0.0004325000000000 ] - [ 0.0000382200000000, -0.0002780200000000, -0.0000546100000000 ] - [ -0.0003409000000000, -0.0002932500000000, -0.0010603200000000 ] - [ 0.0001399100000000, 0.0000178700000000, 0.0000594800000000 ] - [ 0.0005275700000000, -0.0002381200000000, -0.0000852600000000 ] - [ 0.0003209500000000, 0.0001648700000000, -0.0000181200000000 ] - [ -0.0000660100000000, -0.0000585200000000, 0.0000934600000000 ] - [ 0.0002721300000000, -0.0005374700000000, 0.0005102500000000 ] - [ -0.0000779500000000, -0.0000725100000000, 0.0000064500000000 ] - [ 0.0001766900000000, 0.0008936000000000, -0.0003394300000000 ] - [ 0.0003531600000000, 0.0004140200000000, -0.0002855300000000 ] - [ -0.0030380500000000, 0.0007618100000000, 0.0013142700000000 ] - [ -0.0001999300000000, -0.0000298100000000, 0.0004496800000000 ] - [ 0.0003180700000000, -0.0002827300000000, -0.0000666800000000 ] - [ -0.0010510000000000, 0.0010826600000000, -0.0025535600000000 ] - [ -0.0005365900000000, 0.0004291900000000, 0.0006466400000000 ] - [ 0.0001346200000000, 0.0000551300000000, -0.0000624200000000 ] - [ 0.0002086700000000, 0.0002554700000000, -0.0003409700000000 ] - [ -0.0000824100000000, 0.0002654500000000, -0.0003149800000000 ] - [ -0.0092200000000000, -0.0015986500000000, 0.0005780700000000 ] - [ -0.0089452800000000, 0.0120548800000000, 0.0002151000000000 ] - [ -0.0001559200000000, -0.0000085500000000, 0.0001039600000000 ] - [ -0.0003575400000000, -0.0003137500000000, 0.0007633000000000 ] - [ -0.0167959800000000, 0.0208478400000000, -0.0117576600000000 ] - [ -0.0002642900000000, 0.0001260900000000, 0.0001340800000000 ] - [ -0.0004986500000000, -0.0008482600000000, 0.0000518900000000 ] - [ -0.0006904600000000, -0.0005946900000000, 0.0002830700000000 ] - [ 0.0000180800000000, 0.0001298200000000, -0.0000800200000000 ] - [ -0.0003288900000000, 0.0000838900000000, -0.0003589900000000 ] - [ -0.0017750000000000, 0.0002899500000000, -0.0003407100000000 ] - [ -0.0001106300000000, -0.0004478300000000, 0.0003302000000000 ] - [ 0.0000140300000000, 0.0001275900000000, 0.0000559000000000 ] - [ -0.0005096600000000, -0.0005645800000000, -0.0001584900000000 ] - [ -0.0000372700000000, 0.0001229300000000, 0.0000502100000000 ] - [ -0.0010057500000000, 0.0013006700000000, -0.0000855300000000 ] - [ -0.0000676700000000, 0.0000600600000000, -0.0005294800000000 ] - [ -0.0000155700000000, 0.0002094100000000, -0.0001125000000000 ] - [ -0.0009014100000000, -0.0153721800000000, 0.0062912800000000 ] - [ -0.0019723600000000, -0.0059169300000000, 0.0015639300000000 ] - [ 0.0017448700000000, -0.0002897100000000, -0.0018903000000000 ] - [ 0.1467693700000000, -0.0104785200000000, 0.0048934500000000 ] - [ 0.0001168500000000, -0.0001520400000000, 0.0002799500000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0196175700000000, 0.0626577500000000, -0.0277300200000000 ] - [ 0.0000341200000000, 0.0000652900000000, -0.0001445200000000 ] - [ -0.0001278700000000, 0.0000764300000000, 0.0000495300000000 ] - [ -0.0001871900000000, -0.0000098700000000, 0.0000282600000000 ] - [ -0.0030684700000000, 0.0097392600000000, 0.0007287300000000 ] - [ 0.0000605800000000, 0.0000961400000000, -0.0002622700000000 ] - [ -0.0002338800000000, -0.0002136300000000, 0.0004848100000000 ] - [ 0.0000647000000000, 0.0020623000000000, -0.0000448500000000 ] - [ 0.0227362600000000, 0.0286059800000000, 0.0020834700000000 ] - [ -0.0000670400000000, 0.0006836500000000, 0.0000108800000000 ] - [ 0.0008454200000000, -0.0015291900000000, -0.0016394600000000 ] - [ -0.0001457800000000, -0.0003126100000000, 0.0002288300000000 ] - [ -0.0001228900000000, -0.0001833900000000, 0.0001680500000000 ] - [ 0.0012557800000000, -0.0000177000000000, 0.0004053500000000 ] - [ -0.0004886200000000, 0.0012756400000000, -0.0001360700000000 ] - [ -0.0000921000000000, 0.0001695800000000, 0.0001553300000000 ] - [ -0.0000081800000000, -0.0002849500000000, 0.0000233200000000 ] - [ 0.0001535900000000, 0.0002157800000000, 0.0001555900000000 ] - [ 0.0001676300000000, 0.0000108800000000, 0.0001613600000000 ] - [ -0.0000913600000000, -0.0000633900000000, 0.0003352100000000 ] - [ -0.0002165900000000, -0.0000654100000000, 0.0000279600000000 ] - [ -0.0001301300000000, 0.0001555700000000, 0.0000805300000000 ] - [ -0.0000088100000000, -0.0006361600000000, 0.0000402100000000 ] - [ -0.0002251000000000, 0.0000135800000000, -0.0000129600000000 ] - [ -0.0000441000000000, -0.0001001100000000, -0.0001567900000000 ] - [ 0.0000637400000000, -0.0000611900000000, -0.0002878300000000 ] - [ -0.0000688400000000, -0.0002706000000000, 0.0001321400000000 ] - [ -0.0000591200000000, 0.0000770800000000, 0.0000648200000000 ] - [ -0.0001646600000000, 0.0000892700000000, -0.0004536400000000 ] - [ 0.0000815500000000, 0.0000862700000000, -0.0002819300000000 ] - [ 0.0009305900000000, -0.0003135800000000, -0.0000607300000000 ] - [ 0.0000597000000000, 0.0001984300000000, -0.0000489500000000 ] - [ 0.0002548900000000, 0.0004793700000000, -0.0002168800000000 ] - [ 0.0000563100000000, 0.0001615700000000, -0.0000074700000000 ] - [ 0.0000992300000000, -0.0000610000000000, 0.0000279700000000 ] - [ -0.0001066900000000, -0.0004943400000000, -0.0000302200000000 ] - [ 0.0006344100000000, -0.0006738400000000, -0.0002435100000000 ] - [ -0.0001532300000000, -0.0000156000000000, -0.0000585300000000 ] - [ -0.0003529400000000, -0.0000685700000000, -0.0003909100000000 ] - [ 0.0001901000000000, -0.0000474300000000, -0.0002032700000000 ] - [ -0.0001021900000000, -0.0003234600000000, 0.0003934300000000 ] - [ 0.0000152900000000, 0.0011977700000000, -0.0007316700000000 ] - [ 0.0051213500000000, 0.0105922700000000, -0.0010724200000000 ] - [ 0.0002999500000000, 0.0001462100000000, 0.0000488800000000 ] - [ -0.0102880800000000, 0.0169890400000000, 0.0142316700000000 ] - [ -0.0000285400000000, 0.0003146600000000, 0.0005009500000000 ] - [ -0.0017943700000000, -0.0008774800000000, -0.0008191400000000 ] - [ 0.0001174600000000, -0.0005586700000000, -0.0000728400000000 ] - [ 0.0004888900000000, 0.0013894600000000, 0.0006203900000000 ] - [ 0.0002410900000000, -0.0001586000000000, 0.0001618000000000 ] - [ 0.0000920500000000, -0.0004740700000000, -0.0003544200000000 ] - [ 0.0001276500000000, 0.0001007500000000, -0.0000893100000000 ] - [ -0.0002206500000000, 0.0001962900000000, 0.0002355900000000 ] - [ 0.0005505200000000, 0.0010240900000000, -0.0000239600000000 ] - [ 0.0000013000000000, -0.0002721200000000, -0.0000719600000000 ] - [ -0.0004068700000000, -0.0003127300000000, -0.0001538300000000 ] - [ -0.0001598100000000, 0.0006716500000000, -0.0003809300000000 ] - [ -0.0005016700000000, 0.0077388100000000, -0.0009515900000000 ] - [ -0.0000864200000000, 0.0000565300000000, 0.0003397000000000 ] - [ -0.0003145100000000, -0.0004032100000000, 0.0005517000000000 ] - [ -0.0003328500000000, -0.0021904500000000, 0.0000768500000000 ] - [ -0.0003998600000000, 0.0001742800000000, 0.0004476200000000 ] - [ -0.0000177300000000, 0.0005687800000000, -0.0000488700000000 ] - [ 0.0002562300000000, 0.0006451500000000, -0.0001699200000000 ] - [ 0.0000145300000000, 0.0009989900000000, -0.0002804400000000 ] - [ 0.0005649400000000, 0.0070271400000000, 0.0018419000000000 ] - [ -0.0083985900000000, 0.0177491900000000, 0.0076552500000000 ] - [ -0.0000094300000000, 0.0004594000000000, 0.0002463400000000 ] - [ 0.0002512600000000, -0.0001900400000000, -0.0002564300000000 ] - [ -0.0078525000000000, -0.0081553500000000, 0.0000636400000000 ] - [ -0.0002107000000000, 0.0001893600000000, -0.0000276500000000 ] - [ 0.0001858800000000, 0.0005285100000000, -0.0001116200000000 ] - [ 0.0000149900000000, 0.0002165300000000, -0.0001964500000000 ] - [ -0.0000977700000000, -0.0000727700000000, -0.0001182700000000 ] - [ 0.0001233100000000, -0.0006211900000000, 0.0000757500000000 ] - [ 0.0005026100000000, -0.0011869000000000, 0.0003115100000000 ] - [ -0.0003302100000000, 0.0008116600000000, -0.0000471800000000 ] - [ -0.0000769900000000, 0.0006020100000000, 0.0000165500000000 ] - [ 0.0002917300000000, 0.0003867200000000, 0.0002592200000000 ] - [ 0.0000912900000000, 0.0001845600000000, 0.0002942900000000 ] - [ -0.0035410700000000, 0.0006946600000000, 0.0021612500000000 ] - [ 0.0002769800000000, -0.0002090300000000, 0.0001854300000000 ] - [ -0.0001932100000000, 0.0003317500000000, -0.0001314200000000 ] - [ 0.0076591300000000, 0.0183847500000000, -0.0011686400000000 ] - [ 0.0039097400000000, -0.0007678900000000, -0.0077590200000000 ] - [ 0.0014997200000000, 0.0011097600000000, -0.0035176400000000 ] - [ 0.0109209100000000, -0.1753592500000000, 0.0144619000000000 ] - [ -0.0001622200000000, -0.0008447600000000, 0.0003924600000000 ]- atom: 87 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0189604800000000, -0.0606187500000000, 0.0265439800000000 ] - [ 0.0001068700000000, -0.0000442500000000, 0.0000076000000000 ] - [ -0.0001295000000000, 0.0000954200000000, 0.0000198100000000 ] - [ -0.0000711700000000, -0.0001609000000000, 0.0000426900000000 ] - [ 0.0032059200000000, -0.0100841500000000, -0.0007707300000000 ] - [ 0.0000619800000000, 0.0002467300000000, 0.0002400400000000 ] - [ 0.0000568500000000, 0.0000491900000000, -0.0004799300000000 ] - [ -0.0002430800000000, -0.0018977900000000, 0.0000677300000000 ] - [ -0.0230765000000000, -0.0292831300000000, -0.0023062700000000 ] - [ 0.0002042500000000, -0.0001061700000000, -0.0001316400000000 ] - [ -0.0008003200000000, 0.0012620300000000, 0.0018853600000000 ] - [ 0.0001949000000000, 0.0005838100000000, 0.0000207700000000 ] - [ 0.0000151500000000, 0.0000118700000000, 0.0001332500000000 ] - [ -0.0013862400000000, 0.0001700200000000, -0.0001088900000000 ] - [ 0.0005659300000000, -0.0016485400000000, 0.0002923700000000 ] - [ 0.0001647300000000, 0.0001898100000000, 0.0000169200000000 ] - [ -0.0000123500000000, -0.0001206800000000, 0.0001180600000000 ] - [ -0.0001755200000000, 0.0001897000000000, -0.0000138900000000 ] - [ -0.0000333800000000, -0.0000189500000000, 0.0003217800000000 ] - [ 0.0002291100000000, 0.0000738300000000, 0.0001473300000000 ] - [ 0.0000504000000000, 0.0000942300000000, 0.0001192800000000 ] - [ -0.0000373300000000, -0.0001834300000000, 0.0000671500000000 ] - [ -0.0003859700000000, 0.0002313400000000, -0.0000033000000000 ] - [ -0.0001691000000000, 0.0003941900000000, 0.0000505100000000 ] - [ 0.0000162800000000, -0.0000579600000000, -0.0001138700000000 ] - [ -0.0000942700000000, 0.0002203200000000, 0.0000180800000000 ] - [ -0.0000957900000000, 0.0000397200000000, -0.0000669000000000 ] - [ -0.0001060200000000, 0.0001546000000000, 0.0000013200000000 ] - [ 0.0002918100000000, -0.0000052500000000, 0.0001412700000000 ] - [ 0.0000454700000000, -0.0001725800000000, -0.0000307200000000 ] - [ -0.0010038600000000, 0.0001501100000000, 0.0000998300000000 ] - [ -0.0001242500000000, -0.0000328000000000, 0.0000877200000000 ] - [ -0.0002694100000000, -0.0002619200000000, 0.0000931500000000 ] - [ -0.0000696100000000, -0.0003797100000000, -0.0001177600000000 ] - [ -0.0000054300000000, 0.0003267800000000, 0.0001001000000000 ] - [ 0.0002012800000000, 0.0002302700000000, 0.0001572100000000 ] - [ -0.0006988600000000, 0.0006653300000000, 0.0000193600000000 ] - [ 0.0000839000000000, 0.0000238900000000, -0.0001629500000000 ] - [ 0.0002187200000000, 0.0000049800000000, 0.0003239900000000 ] - [ -0.0003299900000000, 0.0001125100000000, 0.0001321700000000 ] - [ 0.0000247100000000, 0.0002475300000000, -0.0004305900000000 ] - [ -0.0000978000000000, -0.0011268400000000, 0.0006850200000000 ] - [ -0.0044616900000000, -0.0106419600000000, 0.0011309500000000 ] - [ 0.0002030800000000, -0.0000759900000000, -0.0000438200000000 ] - [ 0.0104007100000000, -0.0168673800000000, -0.0145212000000000 ] - [ 0.0000384900000000, -0.0004123700000000, -0.0006647300000000 ] - [ 0.0018750200000000, 0.0012984400000000, 0.0006770400000000 ] - [ -0.0000240900000000, 0.0001406700000000, -0.0000584100000000 ] - [ -0.0001965300000000, -0.0015547300000000, -0.0006808000000000 ] - [ 0.0000454200000000, 0.0003609300000000, -0.0002396300000000 ] - [ 0.0002190900000000, 0.0004574100000000, 0.0005263200000000 ] - [ 0.0001799300000000, -0.0000702800000000, 0.0002450500000000 ] - [ -0.0000512000000000, -0.0002634400000000, -0.0000145000000000 ] - [ -0.0008140700000000, -0.0009562500000000, 0.0002484100000000 ] - [ -0.0001158200000000, 0.0001664100000000, 0.0000847500000000 ] - [ 0.0003024600000000, 0.0004213200000000, 0.0001740100000000 ] - [ 0.0002962500000000, -0.0007412000000000, 0.0003693300000000 ] - [ 0.0008370400000000, -0.0081163000000000, 0.0010638400000000 ] - [ -0.0000170200000000, 0.0002454500000000, -0.0001059100000000 ] - [ 0.0002229000000000, 0.0000832600000000, -0.0003311000000000 ] - [ 0.0004998000000000, 0.0018928100000000, -0.0002909000000000 ] - [ 0.0005693000000000, 0.0001378000000000, -0.0006626800000000 ] - [ -0.0000194500000000, -0.0007723500000000, -0.0000978600000000 ] - [ -0.0002965400000000, -0.0004412700000000, 0.0000295900000000 ] - [ -0.0003651300000000, -0.0007836400000000, -0.0001006400000000 ] - [ -0.0009282300000000, -0.0070929400000000, -0.0022634000000000 ] - [ 0.0080011700000000, -0.0171529800000000, -0.0076346700000000 ] - [ -0.0001872000000000, -0.0006208500000000, -0.0002746000000000 ] - [ -0.0001838800000000, 0.0003315700000000, 0.0001381800000000 ] - [ 0.0078675600000000, 0.0081412600000000, -0.0002489000000000 ] - [ 0.0002451600000000, -0.0001553800000000, -0.0000395300000000 ] - [ -0.0001523800000000, -0.0005689400000000, 0.0000388700000000 ] - [ 0.0001830300000000, -0.0002497900000000, 0.0002242900000000 ] - [ 0.0002961200000000, 0.0001080100000000, 0.0001413400000000 ] - [ 0.0002016200000000, 0.0006816000000000, -0.0002638700000000 ] - [ -0.0001814700000000, 0.0011265400000000, -0.0005008200000000 ] - [ 0.0001385900000000, -0.0010750500000000, 0.0001563000000000 ] - [ -0.0001115200000000, -0.0003488200000000, 0.0000881800000000 ] - [ -0.0002840000000000, -0.0002247300000000, -0.0002000900000000 ] - [ -0.0000779000000000, -0.0003480000000000, -0.0002320700000000 ] - [ 0.0037122900000000, -0.0008117700000000, -0.0022675100000000 ] - [ -0.0001123000000000, 0.0003091100000000, -0.0002899000000000 ] - [ -0.0000050000000000, -0.0002663000000000, 0.0001888100000000 ] - [ -0.0077252200000000, -0.0178655700000000, 0.0011144800000000 ] - [ -0.0040196500000000, 0.0006932000000000, 0.0077950700000000 ] - [ -0.0015692200000000, -0.0009277400000000, 0.0036143800000000 ] - [ -0.0099061300000000, 0.1723663700000000, -0.0129849800000000 ] - [ 0.0001876200000000, 0.0008794800000000, -0.0002531100000000 ]- atom: 87 displacement: [ -0.0000020545586405, 0.0000000000000000, 0.0099999997889394 ] forces: - [ 0.0084328200000000, -0.0276648900000000, 0.0120126300000000 ] - [ 0.0000073500000000, -0.0000537800000000, 0.0000944400000000 ] - [ -0.0001225200000000, 0.0001069200000000, 0.0000821400000000 ] - [ -0.0001952000000000, -0.0000940300000000, 0.0000484200000000 ] - [ -0.0134586400000000, 0.0001555100000000, 0.0535288300000000 ] - [ -0.0000460500000000, -0.0003517200000000, -0.0010538800000000 ] - [ -0.0002662700000000, 0.0004711900000000, -0.0008330200000000 ] - [ 0.0008679500000000, 0.0008577800000000, 0.0019208100000000 ] - [ 0.0088534400000000, 0.0021866000000000, 0.0064559600000000 ] - [ -0.0000451500000000, 0.0005470000000000, -0.0002285200000000 ] - [ -0.0000415800000000, -0.0000825200000000, -0.0005039900000000 ] - [ -0.0000326800000000, 0.0000816200000000, 0.0000588100000000 ] - [ -0.0000060400000000, 0.0000114700000000, 0.0001245500000000 ] - [ -0.0008259600000000, -0.0002950300000000, -0.0007151100000000 ] - [ -0.0006092100000000, -0.0008774600000000, 0.0009238900000000 ] - [ 0.0001074600000000, 0.0002243500000000, -0.0001282600000000 ] - [ -0.0001261200000000, -0.0001854400000000, 0.0000774600000000 ] - [ -0.0000081600000000, 0.0001837800000000, 0.0000297000000000 ] - [ 0.0004323900000000, -0.0001215200000000, 0.0000504600000000 ] - [ -0.0000733200000000, -0.0001040000000000, 0.0003333700000000 ] - [ -0.0002017200000000, -0.0002117300000000, 0.0001033400000000 ] - [ -0.0000830200000000, -0.0000098200000000, -0.0000446100000000 ] - [ -0.0003010700000000, -0.0001174900000000, 0.0000259800000000 ] - [ -0.0002075100000000, 0.0001299700000000, -0.0000028100000000 ] - [ -0.0000510500000000, -0.0001857800000000, 0.0000232800000000 ] - [ -0.0000153500000000, 0.0000453000000000, -0.0001833800000000 ] - [ -0.0001153500000000, -0.0001285400000000, 0.0001120000000000 ] - [ -0.0000881400000000, 0.0001115100000000, -0.0000480100000000 ] - [ 0.0000073100000000, -0.0000172300000000, -0.0002038200000000 ] - [ 0.0001238600000000, -0.0001338300000000, -0.0001430600000000 ] - [ -0.0002987100000000, 0.0000687900000000, 0.0002377700000000 ] - [ 0.0001559100000000, 0.0003019600000000, -0.0003387200000000 ] - [ 0.0005650100000000, -0.0003781400000000, 0.0003592100000000 ] - [ -0.0000087600000000, -0.0001035900000000, -0.0001662000000000 ] - [ 0.0000323400000000, 0.0000952200000000, 0.0000541900000000 ] - [ 0.0001155800000000, -0.0001048800000000, 0.0001142100000000 ] - [ -0.0005156800000000, 0.0002281300000000, 0.0000485900000000 ] - [ 0.0000003600000000, -0.0000113200000000, -0.0001849500000000 ] - [ -0.0005148600000000, -0.0002059900000000, -0.0003578400000000 ] - [ 0.0003596400000000, -0.0003035400000000, 0.0003082900000000 ] - [ -0.0001096700000000, 0.0000788500000000, -0.0000184000000000 ] - [ -0.0009087800000000, -0.0004405500000000, 0.0005205800000000 ] - [ 0.0136769100000000, -0.0003030200000000, 0.0083627700000000 ] - [ 0.0000579300000000, -0.0000912900000000, -0.0003530900000000 ] - [ -0.0122201000000000, 0.0129575500000000, 0.0296745400000000 ] - [ 0.0005035400000000, 0.0008383800000000, -0.0008519500000000 ] - [ 0.0003862900000000, 0.0002248700000000, -0.0008441900000000 ] - [ 0.0000329000000000, -0.0001771700000000, -0.0000596200000000 ] - [ 0.0009509900000000, -0.0001032400000000, 0.0017841800000000 ] - [ 0.0001322000000000, 0.0000824600000000, -0.0001596800000000 ] - [ -0.0000354800000000, -0.0004297900000000, 0.0006426500000000 ] - [ 0.0002571600000000, -0.0001822900000000, -0.0000812200000000 ] - [ -0.0000820800000000, -0.0000112400000000, 0.0001609800000000 ] - [ -0.0003084100000000, 0.0000732600000000, -0.0003012700000000 ] - [ -0.0000759800000000, -0.0000629500000000, -0.0000466100000000 ] - [ 0.0001846200000000, -0.0002462600000000, 0.0001022800000000 ] - [ 0.0000118500000000, 0.0002520100000000, -0.0008258500000000 ] - [ -0.0011262800000000, -0.0018280900000000, 0.0043682100000000 ] - [ -0.0000963300000000, 0.0002952800000000, 0.0001382400000000 ] - [ 0.0004993600000000, -0.0005953700000000, -0.0017855000000000 ] - [ 0.0015866600000000, -0.0005221900000000, 0.0006514700000000 ] - [ -0.0019905000000000, 0.0009613800000000, 0.0015541400000000 ] - [ -0.0000844700000000, -0.0002722200000000, -0.0001543900000000 ] - [ -0.0000263800000000, 0.0000969500000000, 0.0001637400000000 ] - [ -0.0001073900000000, 0.0001043600000000, -0.0003897000000000 ] - [ -0.0002901900000000, 0.0008010400000000, 0.0089942700000000 ] - [ -0.0055083100000000, 0.0198549000000000, -0.0072924200000000 ] - [ 0.0000137000000000, 0.0006221000000000, 0.0004920700000000 ] - [ -0.0003113200000000, -0.0004461200000000, 0.0006734300000000 ] - [ 0.0076310200000000, -0.0049396600000000, 0.0087995800000000 ] - [ 0.0000348100000000, 0.0005098400000000, 0.0000460000000000 ] - [ 0.0000503600000000, 0.0000679600000000, 0.0000483300000000 ] - [ 0.0003218300000000, 0.0000347000000000, -0.0002369100000000 ] - [ -0.0000481300000000, -0.0001741800000000, 0.0003287600000000 ] - [ -0.0001927900000000, -0.0001446500000000, 0.0000703000000000 ] - [ 0.0000313300000000, 0.0003438300000000, 0.0000779500000000 ] - [ 0.0001795400000000, -0.0002119400000000, -0.0001473500000000 ] - [ -0.0000914700000000, 0.0001513200000000, 0.0000812400000000 ] - [ 0.0004621600000000, 0.0003990400000000, -0.0002519400000000 ] - [ -0.0004262300000000, 0.0000110800000000, 0.0001620200000000 ] - [ 0.0018098700000000, 0.0003230600000000, -0.0016055800000000 ] - [ 0.0000141400000000, -0.0001755900000000, 0.0006780800000000 ] - [ 0.0000480300000000, 0.0001662200000000, 0.0000785300000000 ] - [ -0.0045752300000000, 0.0025438600000000, 0.0020890600000000 ] - [ 0.0020118000000000, -0.0159325900000000, 0.0198723200000000 ] - [ 0.0005342500000000, -0.0016419200000000, 0.0006742400000000 ] - [ -0.0044184200000000, 0.0133771000000000, -0.1497278900000000 ] - [ -0.0001926200000000, -0.0003038900000000, 0.0018514500000000 ]- atom: 87 displacement: [ 0.0000020545586405, 0.0000000000000000, -0.0099999997889394 ] forces: - [ -0.0083940300000000, 0.0279717300000000, -0.0121318100000000 ] - [ 0.0001331900000000, 0.0000737900000000, -0.0002298500000000 ] - [ -0.0001356200000000, 0.0000654900000000, -0.0000111800000000 ] - [ -0.0000637500000000, -0.0000777800000000, 0.0000208600000000 ] - [ 0.0126889200000000, 0.0000419800000000, -0.0513850000000000 ] - [ 0.0001686800000000, 0.0006924700000000, 0.0010305500000000 ] - [ 0.0000849400000000, -0.0006301300000000, 0.0008354100000000 ] - [ -0.0010823800000000, -0.0006905800000000, -0.0019519300000000 ] - [ -0.0086464200000000, -0.0027231100000000, -0.0065081400000000 ] - [ 0.0001826000000000, 0.0000312900000000, 0.0001059800000000 ] - [ 0.0000945900000000, -0.0001988200000000, 0.0007517800000000 ] - [ 0.0000827500000000, 0.0001897800000000, 0.0001894900000000 ] - [ -0.0001021000000000, -0.0001823700000000, 0.0001780000000000 ] - [ 0.0007157700000000, 0.0004685200000000, 0.0010223700000000 ] - [ 0.0006927400000000, 0.0005095200000000, -0.0007420300000000 ] - [ -0.0000335100000000, 0.0001349200000000, 0.0002985900000000 ] - [ 0.0001017100000000, -0.0002207600000000, 0.0000608100000000 ] - [ -0.0000183100000000, 0.0002220600000000, 0.0001064700000000 ] - [ -0.0002947500000000, 0.0001147600000000, 0.0004326500000000 ] - [ 0.0002043200000000, 0.0001086300000000, 0.0001533100000000 ] - [ 0.0000312900000000, 0.0002361100000000, 0.0000424300000000 ] - [ -0.0000871800000000, -0.0000153700000000, 0.0001891500000000 ] - [ -0.0000956500000000, -0.0002878900000000, 0.0000110600000000 ] - [ -0.0001886400000000, 0.0002755000000000, 0.0000394000000000 ] - [ 0.0000209100000000, 0.0000261200000000, -0.0002926000000000 ] - [ -0.0000153000000000, 0.0001140900000000, -0.0000856200000000 ] - [ -0.0000498000000000, -0.0001009700000000, -0.0000473200000000 ] - [ -0.0000772200000000, 0.0001178400000000, 0.0001114000000000 ] - [ 0.0001210700000000, 0.0001058300000000, -0.0001087800000000 ] - [ 0.0000046500000000, 0.0000438000000000, -0.0001690600000000 ] - [ 0.0002391500000000, -0.0002390200000000, -0.0002003500000000 ] - [ -0.0002179800000000, -0.0001316200000000, 0.0003744400000000 ] - [ -0.0005814900000000, 0.0005987900000000, -0.0004850300000000 ] - [ -0.0000001100000000, -0.0001126500000000, 0.0000421800000000 ] - [ 0.0000627900000000, 0.0001710700000000, 0.0000741700000000 ] - [ -0.0000203400000000, -0.0001615400000000, 0.0000141300000000 ] - [ 0.0004492400000000, -0.0002382400000000, -0.0002741700000000 ] - [ -0.0000686800000000, 0.0000185700000000, -0.0000400500000000 ] - [ 0.0003742300000000, 0.0001428500000000, 0.0002892800000000 ] - [ -0.0005012300000000, 0.0003684000000000, -0.0003766600000000 ] - [ 0.0000318500000000, -0.0001546600000000, -0.0000130100000000 ] - [ 0.0008471300000000, 0.0005220600000000, -0.0005440800000000 ] - [ -0.0132095600000000, 0.0001931700000000, -0.0084575000000000 ] - [ 0.0004463700000000, 0.0001616500000000, 0.0003574700000000 ] - [ 0.0130520200000000, -0.0135426800000000, -0.0313797200000000 ] - [ -0.0004945700000000, -0.0009267600000000, 0.0006882500000000 ] - [ -0.0002847200000000, 0.0001912500000000, 0.0007222700000000 ] - [ 0.0000557200000000, -0.0002392200000000, -0.0000688200000000 ] - [ -0.0006607100000000, -0.0000934700000000, -0.0018446300000000 ] - [ 0.0001525300000000, 0.0001232300000000, 0.0000828700000000 ] - [ 0.0003540100000000, 0.0004075800000000, -0.0004877300000000 ] - [ 0.0000581300000000, 0.0002062400000000, 0.0002414900000000 ] - [ -0.0001916300000000, -0.0000576300000000, 0.0000633500000000 ] - [ 0.0000258000000000, -0.0000062100000000, 0.0005222000000000 ] - [ -0.0000366000000000, -0.0000409000000000, 0.0000572600000000 ] - [ -0.0002970500000000, 0.0003504100000000, -0.0000902500000000 ] - [ 0.0001336000000000, -0.0003235000000000, 0.0007848300000000 ] - [ 0.0012916200000000, 0.0018420300000000, -0.0043555300000000 ] - [ -0.0000092900000000, 0.0000105600000000, 0.0000986500000000 ] - [ -0.0006142800000000, 0.0003051400000000, 0.0020447300000000 ] - [ -0.0014040400000000, 0.0002060200000000, -0.0008642700000000 ] - [ 0.0021598600000000, -0.0006493600000000, -0.0017775900000000 ] - [ 0.0000452400000000, 0.0000724900000000, 0.0000087800000000 ] - [ -0.0000146100000000, 0.0001021300000000, -0.0003079700000000 ] - [ -0.0002287200000000, 0.0001144800000000, 0.0000081800000000 ] - [ -0.0000592300000000, -0.0009827300000000, -0.0094055000000000 ] - [ 0.0052453300000000, -0.0195726700000000, 0.0073411700000000 ] - [ -0.0002051800000000, -0.0007832900000000, -0.0005232400000000 ] - [ 0.0003800500000000, 0.0005827400000000, -0.0007864500000000 ] - [ -0.0076251700000000, 0.0048650400000000, -0.0089801500000000 ] - [ -0.0000078300000000, -0.0004727200000000, -0.0001095300000000 ] - [ -0.0000220000000000, -0.0001018600000000, -0.0001182500000000 ] - [ -0.0001275800000000, -0.0000619100000000, 0.0002656200000000 ] - [ 0.0002473400000000, 0.0002019600000000, -0.0002972500000000 ] - [ 0.0005090500000000, 0.0002066800000000, -0.0002609100000000 ] - [ 0.0002933400000000, -0.0004061900000000, -0.0002742500000000 ] - [ -0.0003735000000000, -0.0000422500000000, 0.0002497400000000 ] - [ -0.0001033800000000, 0.0001013700000000, 0.0000204300000000 ] - [ -0.0004467500000000, -0.0002355100000000, 0.0003166000000000 ] - [ 0.0004430800000000, -0.0001732400000000, -0.0000962600000000 ] - [ -0.0016508800000000, -0.0004264700000000, 0.0015163100000000 ] - [ 0.0001418500000000, 0.0002699100000000, -0.0007747200000000 ] - [ -0.0002535100000000, -0.0000999800000000, -0.0000267700000000 ] - [ 0.0043151900000000, -0.0026307800000000, -0.0020446900000000 ] - [ -0.0020322400000000, 0.0160358300000000, -0.0203775100000000 ] - [ -0.0005829700000000, 0.0018137000000000, -0.0006013600000000 ] - [ 0.0047035300000000, -0.0140380400000000, 0.1498428100000000 ] - [ 0.0002243500000000, 0.0003433300000000, -0.0016994100000000 ]