# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b41a2c66-8871-4e4d-aef4-280f95218337/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 K2In(PSe4)2 / Cc (9) / materials id 581517](https://mdr.nims.go.jp/datasets/c6bcaea7-9623-4554-b083-e701776e3661) ## 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: "Cc" number: 9 Hall_symbol: "C -2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 5.578956155000000, -11.327682185000000, 0.017882395000000 ] # a - [ 5.578956155000000, 11.327682185000000, 0.017882395000000 ] # b - [ -4.128405980000000, 0.000000000000000, 11.878251260000001 ] # c points: - symbol: K # 1 coordinates: [ 0.752301070000000, 0.871160350000000, 0.074461130000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.639925120000000, 0.038768140000000, 0.343129360000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.207534900000000, 0.605787680000000, 0.324220750000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.038768140000000, 0.639925120000000, 0.843129360000000 ] mass: 39.098300 - symbol: K # 5 coordinates: [ 0.871160350000000, 0.752301070000000, 0.574461130000000 ] mass: 39.098300 - symbol: K # 6 coordinates: [ 0.146209790000000, 0.255009370000000, 0.016501430000000 ] mass: 39.098300 - symbol: K # 7 coordinates: [ 0.255009370000000, 0.146209790000000, 0.516501430000000 ] mass: 39.098300 - symbol: K # 8 coordinates: [ 0.605787680000000, 0.207534900000000, 0.824220750000000 ] mass: 39.098300 - symbol: In # 9 coordinates: [ 0.866775110000000, 0.621443970000000, 0.187671250000000 ] mass: 114.818000 - symbol: In # 10 coordinates: [ 0.267978150000000, 0.501439170000000, 0.687166310000000 ] mass: 114.818000 - symbol: In # 11 coordinates: [ 0.621443970000000, 0.866775110000000, 0.687671250000000 ] mass: 114.818000 - symbol: In # 12 coordinates: [ 0.501439170000000, 0.267978150000000, 0.187166310000000 ] mass: 114.818000 - symbol: P # 13 coordinates: [ 0.543578490000000, 0.596712350000000, 0.207073470000000 ] mass: 30.973762 - symbol: P # 14 coordinates: [ 0.129660190000000, 0.965087410000000, 0.132294580000000 ] mass: 30.973762 - symbol: P # 15 coordinates: [ 0.827224830000000, 0.293042970000000, 0.167835290000000 ] mass: 30.973762 - symbol: P # 16 coordinates: [ 0.922112820000000, 0.249860140000000, 0.742848450000000 ] mass: 30.973762 - symbol: P # 17 coordinates: [ 0.293042970000000, 0.827224830000000, 0.667835290000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.596712350000000, 0.543578490000000, 0.707073470000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.965087410000000, 0.129660190000000, 0.632294580000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.249860140000000, 0.922112820000000, 0.242848450000000 ] mass: 30.973762 - symbol: Se # 21 coordinates: [ 0.772354650000000, 0.743105130000000, 0.292192570000000 ] mass: 78.960000 - symbol: Se # 22 coordinates: [ 0.376054590000000, 0.869047070000000, 0.854424320000000 ] mass: 78.960000 - symbol: Se # 23 coordinates: [ 0.598949100000000, 0.139688720000000, 0.091405420000000 ] mass: 78.960000 - symbol: Se # 24 coordinates: [ 0.521579730000000, 0.504314170000000, 0.518871480000000 ] mass: 78.960000 - symbol: Se # 25 coordinates: [ 0.816989500000000, 0.119397860000000, 0.853572810000000 ] mass: 78.960000 - symbol: Se # 26 coordinates: [ 0.470440960000000, 0.937930720000000, 0.596335570000000 ] mass: 78.960000 - symbol: Se # 27 coordinates: [ 0.482627440000000, 0.767737620000000, 0.846791500000000 ] mass: 78.960000 - symbol: Se # 28 coordinates: [ 0.933935100000000, 0.756195080000000, 0.027384360000000 ] mass: 78.960000 - symbol: Se # 29 coordinates: [ 0.602462470000000, 0.411665630000000, 0.029697140000000 ] mass: 78.960000 - symbol: Se # 30 coordinates: [ 0.743105130000000, 0.772354650000000, 0.792192570000000 ] mass: 78.960000 - symbol: Se # 31 coordinates: [ 0.119397860000000, 0.816989500000000, 0.353572810000000 ] mass: 78.960000 - symbol: Se # 32 coordinates: [ 0.088947290000000, 0.098738130000000, 0.737695330000000 ] mass: 78.960000 - symbol: Se # 33 coordinates: [ 0.933295360000000, 0.207760040000000, 0.186460580000000 ] mass: 78.960000 - symbol: Se # 34 coordinates: [ 0.504314170000000, 0.521579730000000, 0.018871480000000 ] mass: 78.960000 - symbol: Se # 35 coordinates: [ 0.286772670000000, 0.805385790000000, 0.137426490000000 ] mass: 78.960000 - symbol: Se # 36 coordinates: [ 0.256523890000000, 0.060556630000000, 0.018069950000000 ] mass: 78.960000 - symbol: Se # 37 coordinates: [ 0.439446270000000, 0.134070290000000, 0.351024580000000 ] mass: 78.960000 - symbol: Se # 38 coordinates: [ 0.703247460000000, 0.458167340000000, 0.697918480000000 ] mass: 78.960000 - symbol: Se # 39 coordinates: [ 0.403725850000000, 0.406075550000000, 0.757527410000000 ] mass: 78.960000 - symbol: Se # 40 coordinates: [ 0.134070290000000, 0.439446270000000, 0.851024580000000 ] mass: 78.960000 - symbol: Se # 41 coordinates: [ 0.207760040000000, 0.933295360000000, 0.686460580000000 ] mass: 78.960000 - symbol: Se # 42 coordinates: [ 0.869047070000000, 0.376054590000000, 0.354424320000000 ] mass: 78.960000 - symbol: Se # 43 coordinates: [ 0.458167340000000, 0.703247460000000, 0.197918480000000 ] mass: 78.960000 - symbol: Se # 44 coordinates: [ 0.098738130000000, 0.088947290000000, 0.237695330000000 ] mass: 78.960000 - symbol: Se # 45 coordinates: [ 0.060556630000000, 0.256523890000000, 0.518069950000000 ] mass: 78.960000 - symbol: Se # 46 coordinates: [ 0.756195080000000, 0.933935100000000, 0.527384360000000 ] mass: 78.960000 - symbol: Se # 47 coordinates: [ 0.411665630000000, 0.602462470000000, 0.529697140000000 ] mass: 78.960000 - symbol: Se # 48 coordinates: [ 0.406075550000000, 0.403725850000000, 0.257527410000000 ] mass: 78.960000 - symbol: Se # 49 coordinates: [ 0.767737620000000, 0.482627440000000, 0.346791500000000 ] mass: 78.960000 - symbol: Se # 50 coordinates: [ 0.805385790000000, 0.286772670000000, 0.637426490000000 ] mass: 78.960000 - symbol: Se # 51 coordinates: [ 0.937930720000000, 0.470440960000000, 0.096335570000000 ] mass: 78.960000 - symbol: Se # 52 coordinates: [ 0.139688720000000, 0.598949100000000, 0.591405420000000 ] mass: 78.960000 reciprocal_lattice: # without 2pi - [ 0.089522767990870, -0.044139656448174, 0.031114540569136 ] # a* - [ 0.089522767990870, 0.044139656448174, 0.031114540569136 ] # b* - [ -0.000269548347423, 0.000000000000000, 0.084093792354296 ] # c*unit_cell: lattice: - [ 11.157912310000000, 0.000000000000000, 0.035764790000000 ] # a - [ 0.000000000000000, 22.655364370000001, 0.000000000000000 ] # b - [ -4.128405980000000, 0.000000000000000, 11.878251260000001 ] # c points: - symbol: K # 1 coordinates: [ 0.811730710000000, 0.059429640000000, 0.074461130000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.839346630000000, 0.199421510000000, 0.343129360000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.406661290000000, 0.199126390000000, 0.324220750000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.339346630000000, 0.300578490000000, 0.843129360000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.311730710000000, 0.440570360000000, 0.574461130000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.200609580000000, 0.054399790000000, 0.016501430000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 7 coordinates: [ 0.700609580000000, 0.445600210000000, 0.516501430000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.906661290000000, 0.300873610000000, 0.824220750000000 ] mass: 39.098300 reduced_to: 8 - symbol: K # 9 coordinates: [ 0.311730710000000, 0.559429640000000, 0.074461130000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 10 coordinates: [ 0.339346630000000, 0.699421510000000, 0.343129360000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 11 coordinates: [ 0.906661290000000, 0.699126390000000, 0.324220750000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 12 coordinates: [ 0.839346630000000, 0.800578490000000, 0.843129360000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 13 coordinates: [ 0.811730710000000, 0.940570360000000, 0.574461130000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 14 coordinates: [ 0.700609580000000, 0.554399790000000, 0.016501430000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 15 coordinates: [ 0.200609580000000, 0.945600210000000, 0.516501430000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 16 coordinates: [ 0.406661290000000, 0.800873610000000, 0.824220750000000 ] mass: 39.098300 reduced_to: 8 - symbol: In # 17 coordinates: [ 0.244109540000000, 0.377334430000000, 0.187671250000000 ] mass: 114.818000 reduced_to: 17 - symbol: In # 18 coordinates: [ 0.384708660000000, 0.116730510000000, 0.687166310000000 ] mass: 114.818000 reduced_to: 18 - symbol: In # 19 coordinates: [ 0.744109540000000, 0.122665570000000, 0.687671250000000 ] mass: 114.818000 reduced_to: 19 - symbol: In # 20 coordinates: [ 0.884708660000000, 0.383269490000000, 0.187166310000000 ] mass: 114.818000 reduced_to: 20 - symbol: In # 21 coordinates: [ 0.744109540000000, 0.877334430000000, 0.187671250000000 ] mass: 114.818000 reduced_to: 17 - symbol: In # 22 coordinates: [ 0.884708660000000, 0.616730510000000, 0.687166310000000 ] mass: 114.818000 reduced_to: 18 - symbol: In # 23 coordinates: [ 0.244109540000000, 0.622665570000000, 0.687671250000000 ] mass: 114.818000 reduced_to: 19 - symbol: In # 24 coordinates: [ 0.384708660000000, 0.883269490000000, 0.187166310000000 ] mass: 114.818000 reduced_to: 20 - symbol: P # 25 coordinates: [ 0.570145420000000, 0.026566930000000, 0.207073470000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.547373800000000, 0.417713610000000, 0.132294580000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.060133900000000, 0.232909070000000, 0.167835290000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.085986480000000, 0.163873660000000, 0.742848450000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.560133900000000, 0.267090930000000, 0.667835290000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.070145420000000, 0.473433070000000, 0.707073470000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.047373800000000, 0.082286390000000, 0.632294580000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.585986480000000, 0.336126340000000, 0.242848450000000 ] mass: 30.973762 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.070145420000000, 0.526566930000000, 0.207073470000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 34 coordinates: [ 0.047373800000000, 0.917713610000000, 0.132294580000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 35 coordinates: [ 0.560133900000000, 0.732909070000000, 0.167835290000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 36 coordinates: [ 0.585986480000000, 0.663873660000000, 0.742848450000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 37 coordinates: [ 0.060133900000000, 0.767090930000000, 0.667835290000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 38 coordinates: [ 0.570145420000000, 0.973433070000000, 0.707073470000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 39 coordinates: [ 0.547373800000000, 0.582286390000000, 0.632294580000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 40 coordinates: [ 0.085986480000000, 0.836126340000000, 0.242848450000000 ] mass: 30.973762 reduced_to: 32 - symbol: Se # 41 coordinates: [ 0.257729890000000, 0.485375240000000, 0.292192570000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.622550830000000, 0.246496240000000, 0.854424320000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.869318910000000, 0.270369810000000, 0.091405420000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.012946950000000, 0.491367220000000, 0.518871480000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 45 coordinates: [ 0.968193680000000, 0.151204180000000, 0.853572810000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.704185840000000, 0.233744880000000, 0.596335570000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.625182530000000, 0.142555090000000, 0.846791500000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 48 coordinates: [ 0.345065090000000, 0.411129990000000, 0.027384360000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 49 coordinates: [ 0.007064050000000, 0.404601580000000, 0.029697140000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.757729890000000, 0.014624760000000, 0.792192570000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 51 coordinates: [ 0.468193680000000, 0.348795820000000, 0.353572810000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 52 coordinates: [ 0.093842710000000, 0.004895420000000, 0.737695330000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 53 coordinates: [ 0.070527700000000, 0.137232340000000, 0.186460580000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.512946950000000, 0.008632780000000, 0.018871480000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 55 coordinates: [ 0.546079230000000, 0.259306560000000, 0.137426490000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.658540260000000, 0.402016370000000, 0.018069950000000 ] mass: 78.960000 reduced_to: 56 - symbol: Se # 57 coordinates: [ 0.786758280000000, 0.347312010000000, 0.351024580000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 58 coordinates: [ 0.080707400000000, 0.377459940000000, 0.697918480000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 59 coordinates: [ 0.404900700000000, 0.001174850000000, 0.757527410000000 ] mass: 78.960000 reduced_to: 59 - symbol: Se # 60 coordinates: [ 0.286758280000000, 0.152687990000000, 0.851024580000000 ] mass: 78.960000 reduced_to: 60 - symbol: Se # 61 coordinates: [ 0.570527700000000, 0.362767660000000, 0.686460580000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 62 coordinates: [ 0.122550830000000, 0.253503760000000, 0.354424320000000 ] mass: 78.960000 reduced_to: 62 - symbol: Se # 63 coordinates: [ 0.580707400000000, 0.122540060000000, 0.197918480000000 ] mass: 78.960000 reduced_to: 63 - symbol: Se # 64 coordinates: [ 0.593842710000000, 0.495104580000000, 0.237695330000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 65 coordinates: [ 0.158540260000000, 0.097983630000000, 0.518069950000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 66 coordinates: [ 0.845065090000000, 0.088870010000000, 0.527384360000000 ] mass: 78.960000 reduced_to: 66 - symbol: Se # 67 coordinates: [ 0.507064050000000, 0.095398420000000, 0.529697140000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 68 coordinates: [ 0.904900700000000, 0.498825150000000, 0.257527410000000 ] mass: 78.960000 reduced_to: 68 - symbol: Se # 69 coordinates: [ 0.125182530000000, 0.357444910000000, 0.346791500000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 70 coordinates: [ 0.046079230000000, 0.240693440000000, 0.637426490000000 ] mass: 78.960000 reduced_to: 70 - symbol: Se # 71 coordinates: [ 0.204185840000000, 0.266255120000000, 0.096335570000000 ] mass: 78.960000 reduced_to: 71 - symbol: Se # 72 coordinates: [ 0.369318910000000, 0.229630190000000, 0.591405420000000 ] mass: 78.960000 reduced_to: 72 - symbol: Se # 73 coordinates: [ 0.757729890000000, 0.985375240000000, 0.292192570000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 74 coordinates: [ 0.122550830000000, 0.746496240000000, 0.854424320000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 75 coordinates: [ 0.369318910000000, 0.770369810000000, 0.091405420000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 76 coordinates: [ 0.512946950000000, 0.991367220000000, 0.518871480000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 77 coordinates: [ 0.468193680000000, 0.651204180000000, 0.853572810000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 78 coordinates: [ 0.204185840000000, 0.733744880000000, 0.596335570000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 79 coordinates: [ 0.125182530000000, 0.642555090000000, 0.846791500000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 80 coordinates: [ 0.845065090000000, 0.911129990000000, 0.027384360000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 81 coordinates: [ 0.507064050000000, 0.904601580000000, 0.029697140000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 82 coordinates: [ 0.257729890000000, 0.514624760000000, 0.792192570000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 83 coordinates: [ 0.968193680000000, 0.848795820000000, 0.353572810000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 84 coordinates: [ 0.593842710000000, 0.504895420000000, 0.737695330000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 85 coordinates: [ 0.570527700000000, 0.637232340000000, 0.186460580000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 86 coordinates: [ 0.012946950000000, 0.508632780000000, 0.018871480000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 87 coordinates: [ 0.046079230000000, 0.759306560000000, 0.137426490000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 88 coordinates: [ 0.158540260000000, 0.902016370000000, 0.018069950000000 ] mass: 78.960000 reduced_to: 56 - symbol: Se # 89 coordinates: [ 0.286758280000000, 0.847312010000000, 0.351024580000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 90 coordinates: [ 0.580707400000000, 0.877459940000000, 0.697918480000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 91 coordinates: [ 0.904900700000000, 0.501174850000000, 0.757527410000000 ] mass: 78.960000 reduced_to: 59 - symbol: Se # 92 coordinates: [ 0.786758280000000, 0.652687990000000, 0.851024580000000 ] mass: 78.960000 reduced_to: 60 - symbol: Se # 93 coordinates: [ 0.070527700000000, 0.862767660000000, 0.686460580000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 94 coordinates: [ 0.622550830000000, 0.753503760000000, 0.354424320000000 ] mass: 78.960000 reduced_to: 62 - symbol: Se # 95 coordinates: [ 0.080707400000000, 0.622540060000000, 0.197918480000000 ] mass: 78.960000 reduced_to: 63 - symbol: Se # 96 coordinates: [ 0.093842710000000, 0.995104580000000, 0.237695330000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 97 coordinates: [ 0.658540260000000, 0.597983630000000, 0.518069950000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 98 coordinates: [ 0.345065090000000, 0.588870010000000, 0.527384360000000 ] mass: 78.960000 reduced_to: 66 - symbol: Se # 99 coordinates: [ 0.007064050000000, 0.595398420000000, 0.529697140000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 100 coordinates: [ 0.404900700000000, 0.998825150000000, 0.257527410000000 ] mass: 78.960000 reduced_to: 68 - symbol: Se # 101 coordinates: [ 0.625182530000000, 0.857444910000000, 0.346791500000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 102 coordinates: [ 0.546079230000000, 0.740693440000000, 0.637426490000000 ] mass: 78.960000 reduced_to: 70 - symbol: Se # 103 coordinates: [ 0.704185840000000, 0.766255120000000, 0.096335570000000 ] mass: 78.960000 reduced_to: 71 - symbol: Se # 104 coordinates: [ 0.869318910000000, 0.729630190000000, 0.591405420000000 ] mass: 78.960000 reduced_to: 72supercell: lattice: - [ 11.157912310000000, 0.000000000000000, 0.035764790000000 ] # a - [ 0.000000000000000, 22.655364370000001, 0.000000000000000 ] # b - [ -4.128405980000000, 0.000000000000000, 11.878251260000001 ] # c points: - symbol: K # 1 coordinates: [ 0.811730710000000, 0.059429640000000, 0.074461130000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.839346630000000, 0.199421510000000, 0.343129360000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.406661290000000, 0.199126390000000, 0.324220750000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.339346630000000, 0.300578490000000, 0.843129360000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.311730710000000, 0.440570360000000, 0.574461130000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.200609580000000, 0.054399790000000, 0.016501430000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 7 coordinates: [ 0.700609580000000, 0.445600210000000, 0.516501430000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.906661290000000, 0.300873610000000, 0.824220750000000 ] mass: 39.098300 reduced_to: 8 - symbol: K # 9 coordinates: [ 0.311730710000000, 0.559429640000000, 0.074461130000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 10 coordinates: [ 0.339346630000000, 0.699421510000000, 0.343129360000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 11 coordinates: [ 0.906661290000000, 0.699126390000000, 0.324220750000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 12 coordinates: [ 0.839346630000000, 0.800578490000000, 0.843129360000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 13 coordinates: [ 0.811730710000000, 0.940570360000000, 0.574461130000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 14 coordinates: [ 0.700609580000000, 0.554399790000000, 0.016501430000000 ] mass: 39.098300 reduced_to: 6 - symbol: K # 15 coordinates: [ 0.200609580000000, 0.945600210000000, 0.516501430000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 16 coordinates: [ 0.406661290000000, 0.800873610000000, 0.824220750000000 ] mass: 39.098300 reduced_to: 8 - symbol: In # 17 coordinates: [ 0.244109540000000, 0.377334430000000, 0.187671250000000 ] mass: 114.818000 reduced_to: 17 - symbol: In # 18 coordinates: [ 0.384708660000000, 0.116730510000000, 0.687166310000000 ] mass: 114.818000 reduced_to: 18 - symbol: In # 19 coordinates: [ 0.744109540000000, 0.122665570000000, 0.687671250000000 ] mass: 114.818000 reduced_to: 19 - symbol: In # 20 coordinates: [ 0.884708660000000, 0.383269490000000, 0.187166310000000 ] mass: 114.818000 reduced_to: 20 - symbol: In # 21 coordinates: [ 0.744109540000000, 0.877334430000000, 0.187671250000000 ] mass: 114.818000 reduced_to: 17 - symbol: In # 22 coordinates: [ 0.884708660000000, 0.616730510000000, 0.687166310000000 ] mass: 114.818000 reduced_to: 18 - symbol: In # 23 coordinates: [ 0.244109540000000, 0.622665570000000, 0.687671250000000 ] mass: 114.818000 reduced_to: 19 - symbol: In # 24 coordinates: [ 0.384708660000000, 0.883269490000000, 0.187166310000000 ] mass: 114.818000 reduced_to: 20 - symbol: P # 25 coordinates: [ 0.570145420000000, 0.026566930000000, 0.207073470000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.547373800000000, 0.417713610000000, 0.132294580000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.060133900000000, 0.232909070000000, 0.167835290000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.085986480000000, 0.163873660000000, 0.742848450000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.560133900000000, 0.267090930000000, 0.667835290000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.070145420000000, 0.473433070000000, 0.707073470000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.047373800000000, 0.082286390000000, 0.632294580000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.585986480000000, 0.336126340000000, 0.242848450000000 ] mass: 30.973762 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.070145420000000, 0.526566930000000, 0.207073470000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 34 coordinates: [ 0.047373800000000, 0.917713610000000, 0.132294580000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 35 coordinates: [ 0.560133900000000, 0.732909070000000, 0.167835290000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 36 coordinates: [ 0.585986480000000, 0.663873660000000, 0.742848450000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 37 coordinates: [ 0.060133900000000, 0.767090930000000, 0.667835290000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 38 coordinates: [ 0.570145420000000, 0.973433070000000, 0.707073470000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 39 coordinates: [ 0.547373800000000, 0.582286390000000, 0.632294580000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 40 coordinates: [ 0.085986480000000, 0.836126340000000, 0.242848450000000 ] mass: 30.973762 reduced_to: 32 - symbol: Se # 41 coordinates: [ 0.257729890000000, 0.485375240000000, 0.292192570000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.622550830000000, 0.246496240000000, 0.854424320000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.869318910000000, 0.270369810000000, 0.091405420000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.012946950000000, 0.491367220000000, 0.518871480000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 45 coordinates: [ 0.968193680000000, 0.151204180000000, 0.853572810000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 46 coordinates: [ 0.704185840000000, 0.233744880000000, 0.596335570000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 47 coordinates: [ 0.625182530000000, 0.142555090000000, 0.846791500000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 48 coordinates: [ 0.345065090000000, 0.411129990000000, 0.027384360000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 49 coordinates: [ 0.007064050000000, 0.404601580000000, 0.029697140000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 50 coordinates: [ 0.757729890000000, 0.014624760000000, 0.792192570000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 51 coordinates: [ 0.468193680000000, 0.348795820000000, 0.353572810000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 52 coordinates: [ 0.093842710000000, 0.004895420000000, 0.737695330000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 53 coordinates: [ 0.070527700000000, 0.137232340000000, 0.186460580000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 54 coordinates: [ 0.512946950000000, 0.008632780000000, 0.018871480000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 55 coordinates: [ 0.546079230000000, 0.259306560000000, 0.137426490000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 56 coordinates: [ 0.658540260000000, 0.402016370000000, 0.018069950000000 ] mass: 78.960000 reduced_to: 56 - symbol: Se # 57 coordinates: [ 0.786758280000000, 0.347312010000000, 0.351024580000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 58 coordinates: [ 0.080707400000000, 0.377459940000000, 0.697918480000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 59 coordinates: [ 0.404900700000000, 0.001174850000000, 0.757527410000000 ] mass: 78.960000 reduced_to: 59 - symbol: Se # 60 coordinates: [ 0.286758280000000, 0.152687990000000, 0.851024580000000 ] mass: 78.960000 reduced_to: 60 - symbol: Se # 61 coordinates: [ 0.570527700000000, 0.362767660000000, 0.686460580000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 62 coordinates: [ 0.122550830000000, 0.253503760000000, 0.354424320000000 ] mass: 78.960000 reduced_to: 62 - symbol: Se # 63 coordinates: [ 0.580707400000000, 0.122540060000000, 0.197918480000000 ] mass: 78.960000 reduced_to: 63 - symbol: Se # 64 coordinates: [ 0.593842710000000, 0.495104580000000, 0.237695330000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 65 coordinates: [ 0.158540260000000, 0.097983630000000, 0.518069950000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 66 coordinates: [ 0.845065090000000, 0.088870010000000, 0.527384360000000 ] mass: 78.960000 reduced_to: 66 - symbol: Se # 67 coordinates: [ 0.507064050000000, 0.095398420000000, 0.529697140000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 68 coordinates: [ 0.904900700000000, 0.498825150000000, 0.257527410000000 ] mass: 78.960000 reduced_to: 68 - symbol: Se # 69 coordinates: [ 0.125182530000000, 0.357444910000000, 0.346791500000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 70 coordinates: [ 0.046079230000000, 0.240693440000000, 0.637426490000000 ] mass: 78.960000 reduced_to: 70 - symbol: Se # 71 coordinates: [ 0.204185840000000, 0.266255120000000, 0.096335570000000 ] mass: 78.960000 reduced_to: 71 - symbol: Se # 72 coordinates: [ 0.369318910000000, 0.229630190000000, 0.591405420000000 ] mass: 78.960000 reduced_to: 72 - symbol: Se # 73 coordinates: [ 0.757729890000000, 0.985375240000000, 0.292192570000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 74 coordinates: [ 0.122550830000000, 0.746496240000000, 0.854424320000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 75 coordinates: [ 0.369318910000000, 0.770369810000000, 0.091405420000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 76 coordinates: [ 0.512946950000000, 0.991367220000000, 0.518871480000000 ] mass: 78.960000 reduced_to: 44 - symbol: Se # 77 coordinates: [ 0.468193680000000, 0.651204180000000, 0.853572810000000 ] mass: 78.960000 reduced_to: 45 - symbol: Se # 78 coordinates: [ 0.204185840000000, 0.733744880000000, 0.596335570000000 ] mass: 78.960000 reduced_to: 46 - symbol: Se # 79 coordinates: [ 0.125182530000000, 0.642555090000000, 0.846791500000000 ] mass: 78.960000 reduced_to: 47 - symbol: Se # 80 coordinates: [ 0.845065090000000, 0.911129990000000, 0.027384360000000 ] mass: 78.960000 reduced_to: 48 - symbol: Se # 81 coordinates: [ 0.507064050000000, 0.904601580000000, 0.029697140000000 ] mass: 78.960000 reduced_to: 49 - symbol: Se # 82 coordinates: [ 0.257729890000000, 0.514624760000000, 0.792192570000000 ] mass: 78.960000 reduced_to: 50 - symbol: Se # 83 coordinates: [ 0.968193680000000, 0.848795820000000, 0.353572810000000 ] mass: 78.960000 reduced_to: 51 - symbol: Se # 84 coordinates: [ 0.593842710000000, 0.504895420000000, 0.737695330000000 ] mass: 78.960000 reduced_to: 52 - symbol: Se # 85 coordinates: [ 0.570527700000000, 0.637232340000000, 0.186460580000000 ] mass: 78.960000 reduced_to: 53 - symbol: Se # 86 coordinates: [ 0.012946950000000, 0.508632780000000, 0.018871480000000 ] mass: 78.960000 reduced_to: 54 - symbol: Se # 87 coordinates: [ 0.046079230000000, 0.759306560000000, 0.137426490000000 ] mass: 78.960000 reduced_to: 55 - symbol: Se # 88 coordinates: [ 0.158540260000000, 0.902016370000000, 0.018069950000000 ] mass: 78.960000 reduced_to: 56 - symbol: Se # 89 coordinates: [ 0.286758280000000, 0.847312010000000, 0.351024580000000 ] mass: 78.960000 reduced_to: 57 - symbol: Se # 90 coordinates: [ 0.580707400000000, 0.877459940000000, 0.697918480000000 ] mass: 78.960000 reduced_to: 58 - symbol: Se # 91 coordinates: [ 0.904900700000000, 0.501174850000000, 0.757527410000000 ] mass: 78.960000 reduced_to: 59 - symbol: Se # 92 coordinates: [ 0.786758280000000, 0.652687990000000, 0.851024580000000 ] mass: 78.960000 reduced_to: 60 - symbol: Se # 93 coordinates: [ 0.070527700000000, 0.862767660000000, 0.686460580000000 ] mass: 78.960000 reduced_to: 61 - symbol: Se # 94 coordinates: [ 0.622550830000000, 0.753503760000000, 0.354424320000000 ] mass: 78.960000 reduced_to: 62 - symbol: Se # 95 coordinates: [ 0.080707400000000, 0.622540060000000, 0.197918480000000 ] mass: 78.960000 reduced_to: 63 - symbol: Se # 96 coordinates: [ 0.093842710000000, 0.995104580000000, 0.237695330000000 ] mass: 78.960000 reduced_to: 64 - symbol: Se # 97 coordinates: [ 0.658540260000000, 0.597983630000000, 0.518069950000000 ] mass: 78.960000 reduced_to: 65 - symbol: Se # 98 coordinates: [ 0.345065090000000, 0.588870010000000, 0.527384360000000 ] mass: 78.960000 reduced_to: 66 - symbol: Se # 99 coordinates: [ 0.007064050000000, 0.595398420000000, 0.529697140000000 ] mass: 78.960000 reduced_to: 67 - symbol: Se # 100 coordinates: [ 0.404900700000000, 0.998825150000000, 0.257527410000000 ] mass: 78.960000 reduced_to: 68 - symbol: Se # 101 coordinates: [ 0.625182530000000, 0.857444910000000, 0.346791500000000 ] mass: 78.960000 reduced_to: 69 - symbol: Se # 102 coordinates: [ 0.546079230000000, 0.740693440000000, 0.637426490000000 ] mass: 78.960000 reduced_to: 70 - symbol: Se # 103 coordinates: [ 0.704185840000000, 0.766255120000000, 0.096335570000000 ] mass: 78.960000 reduced_to: 71 - symbol: Se # 104 coordinates: [ 0.869318910000000, 0.729630190000000, 0.591405420000000 ] mass: 78.960000 reduced_to: 72displacements:- atom: 1 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0181183800000000, -0.0046010300000000, -0.0029292700000000 ] - [ -0.0004666600000000, -0.0004573500000000, -0.0002513100000000 ] - [ 0.0003818300000000, -0.0003383100000000, 0.0001346200000000 ] - [ 0.0000533200000000, 0.0001321300000000, -0.0000713300000000 ] - [ -0.0000445800000000, 0.0001902900000000, 0.0002201000000000 ] - [ 0.0015468800000000, -0.0000023200000000, -0.0002811700000000 ] - [ -0.0000346000000000, -0.0000939000000000, -0.0001727900000000 ] - [ -0.0001009000000000, 0.0001850000000000, 0.0000463400000000 ] - [ -0.0000499300000000, -0.0001068200000000, 0.0001358500000000 ] - [ 0.0000562800000000, -0.0001268200000000, -0.0000715200000000 ] - [ -0.0001002800000000, -0.0001038800000000, 0.0001222000000000 ] - [ -0.0000482600000000, 0.0001495300000000, -0.0001123500000000 ] - [ -0.0001525300000000, 0.0001943100000000, -0.0000244900000000 ] - [ -0.0000477700000000, 0.0001468800000000, -0.0002050100000000 ] - [ 0.0000335700000000, -0.0001340700000000, 0.0000164200000000 ] - [ -0.0000022400000000, 0.0002332000000000, 0.0002341600000000 ] - [ 0.0003108100000000, 0.0004049000000000, -0.0001198900000000 ] - [ 0.0005005900000000, -0.0000658700000000, 0.0003096400000000 ] - [ -0.0006240900000000, -0.0000816900000000, -0.0003518900000000 ] - [ -0.0002186000000000, 0.0000783200000000, 0.0001290600000000 ] - [ -0.0009062600000000, 0.0010880600000000, 0.0000118700000000 ] - [ 0.0000025500000000, 0.0002669500000000, 0.0001256400000000 ] - [ 0.0001230500000000, -0.0000457500000000, -0.0001520700000000 ] - [ 0.0008989300000000, 0.0001722200000000, 0.0000252600000000 ] - [ 0.0023285600000000, 0.0010196700000000, -0.0027076700000000 ] - [ -0.0001922800000000, -0.0002737700000000, 0.0001525500000000 ] - [ -0.0004721700000000, 0.0017817400000000, -0.0011557900000000 ] - [ 0.0014468800000000, -0.0003908900000000, -0.0000808100000000 ] - [ 0.0000494200000000, 0.0002226000000000, -0.0001839200000000 ] - [ -0.0003936600000000, 0.0007275000000000, -0.0000623300000000 ] - [ -0.0006368600000000, 0.0002080100000000, -0.0002509900000000 ] - [ 0.0003254700000000, -0.0001275900000000, -0.0004169400000000 ] - [ -0.0005096800000000, -0.0005884900000000, -0.0000997700000000 ] - [ -0.0001813400000000, -0.0027689800000000, -0.0017205300000000 ] - [ -0.0002652600000000, 0.0000766800000000, -0.0003070000000000 ] - [ 0.0003307300000000, -0.0001466000000000, 0.0000283700000000 ] - [ -0.0001060800000000, 0.0001027200000000, -0.0003890000000000 ] - [ -0.0011169900000000, 0.0007221100000000, 0.0001366200000000 ] - [ -0.0002009800000000, 0.0003104300000000, -0.0000961700000000 ] - [ 0.0003850000000000, 0.0000370900000000, 0.0007195800000000 ] - [ 0.0000161000000000, -0.0001519600000000, -0.0000551900000000 ] - [ -0.0000754500000000, -0.0004582300000000, -0.0005237500000000 ] - [ 0.0003458100000000, -0.0003955000000000, 0.0001221600000000 ] - [ -0.0000181600000000, 0.0004414400000000, 0.0003480200000000 ] - [ -0.0006007900000000, 0.0002876000000000, 0.0004477800000000 ] - [ -0.0000552500000000, 0.0003024100000000, 0.0002920500000000 ] - [ 0.0002705200000000, -0.0008818600000000, 0.0014349500000000 ] - [ 0.0003045700000000, -0.0002065100000000, -0.0000252400000000 ] - [ 0.0001180600000000, -0.0002501800000000, 0.0000057400000000 ] - [ 0.0008156600000000, -0.0001071000000000, -0.0010074900000000 ] - [ -0.0002858500000000, 0.0000691100000000, 0.0002768500000000 ] - [ -0.0001631500000000, -0.0000292100000000, 0.0000698000000000 ] - [ 0.0053292700000000, 0.0026724800000000, 0.0031519300000000 ] - [ 0.0059983800000000, 0.0013901200000000, 0.0025559700000000 ] - [ 0.0000257700000000, -0.0000635000000000, 0.0001829900000000 ] - [ 0.0002531800000000, -0.0000301600000000, -0.0000905100000000 ] - [ -0.0002021900000000, -0.0000912500000000, -0.0002223200000000 ] - [ 0.0002311100000000, -0.0002427000000000, -0.0001078300000000 ] - [ 0.0002078800000000, 0.0001834700000000, -0.0000510500000000 ] - [ -0.0005067400000000, 0.0002026800000000, -0.0002123400000000 ] - [ 0.0000246400000000, 0.0001629600000000, -0.0001746200000000 ] - [ -0.0000609900000000, 0.0000031800000000, 0.0004388600000000 ] - [ 0.0002082500000000, -0.0005476400000000, 0.0002470900000000 ] - [ -0.0002177100000000, 0.0001802300000000, -0.0000356300000000 ] - [ 0.0001041100000000, 0.0000204800000000, -0.0000188700000000 ] - [ 0.0004567700000000, 0.0002288700000000, 0.0000998300000000 ] - [ 0.0000403000000000, 0.0001154700000000, -0.0001154300000000 ] - [ 0.0001736300000000, -0.0002057300000000, 0.0000320100000000 ] - [ -0.0001018400000000, -0.0000747400000000, -0.0000757300000000 ] - [ -0.0002239600000000, 0.0001544300000000, 0.0002457500000000 ] - [ -0.0001907400000000, -0.0008246500000000, 0.0003428700000000 ] - [ 0.0001856100000000, 0.0000945000000000, 0.0001454100000000 ] - [ 0.0006123000000000, 0.0002650600000000, -0.0013182400000000 ] - [ -0.0000550900000000, 0.0000317400000000, -0.0001545500000000 ] - [ 0.0001380000000000, -0.0004115300000000, 0.0002706400000000 ] - [ 0.0001915000000000, 0.0004886100000000, 0.0001683700000000 ] - [ -0.0001702600000000, -0.0000151800000000, 0.0002432500000000 ] - [ -0.0000804000000000, 0.0002152400000000, 0.0003427200000000 ] - [ -0.0001965100000000, -0.0004044100000000, 0.0001585100000000 ] - [ 0.0011585600000000, -0.0002088200000000, -0.0000532000000000 ] - [ -0.0002705500000000, 0.0001811000000000, 0.0001363700000000 ] - [ 0.0000551000000000, -0.0000125000000000, -0.0001460300000000 ] - [ 0.0000726400000000, 0.0000179000000000, 0.0000890100000000 ] - [ -0.0002195300000000, -0.0001465100000000, 0.0000151900000000 ] - [ 0.0001040200000000, -0.0000849800000000, -0.0001033300000000 ] - [ 0.0000174700000000, -0.0004645500000000, 0.0003030500000000 ] - [ -0.0000132000000000, 0.0000756700000000, -0.0000822700000000 ] - [ -0.0002069500000000, 0.0003642400000000, 0.0000810700000000 ] - [ -0.0004805800000000, -0.0000578100000000, -0.0003452100000000 ] - [ 0.0003081100000000, -0.0001994200000000, -0.0000721100000000 ] - [ 0.0001389400000000, 0.0001267700000000, 0.0000359600000000 ] - [ -0.0002808300000000, 0.0001410800000000, -0.0002432200000000 ] - [ 0.0000537900000000, -0.0000861900000000, 0.0000188600000000 ] - [ -0.0001954800000000, -0.0001719900000000, -0.0001366600000000 ] - [ 0.0002556400000000, 0.0000822500000000, -0.0001288800000000 ] - [ 0.0014042900000000, 0.0002056700000000, 0.0017270100000000 ] - [ 0.0001790200000000, -0.0000263500000000, -0.0000434900000000 ] - [ 0.0004129600000000, 0.0001369500000000, 0.0000156500000000 ] - [ 0.0001050600000000, 0.0001844000000000, -0.0000703500000000 ] - [ 0.0004238400000000, -0.0004598500000000, 0.0003903700000000 ] - [ -0.0000345600000000, 0.0004690500000000, 0.0003125800000000 ] - [ 0.0000292300000000, 0.0002202400000000, 0.0000305800000000 ] - [ 0.0001081200000000, -0.0004128700000000, 0.0003511300000000 ] - [ 0.0002451000000000, 0.0000123000000000, 0.0001488900000000 ]- atom: 1 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ 0.0180121300000000, 0.0042734300000000, 0.0030587900000000 ] - [ 0.0004019000000000, 0.0001344600000000, 0.0001267200000000 ] - [ -0.0004194100000000, 0.0000636100000000, 0.0001166000000000 ] - [ -0.0001189400000000, 0.0001889800000000, -0.0000516800000000 ] - [ -0.0001660600000000, 0.0001561500000000, 0.0000665100000000 ] - [ -0.0015402200000000, 0.0001930800000000, -0.0001186900000000 ] - [ 0.0000249000000000, -0.0000978200000000, -0.0002253700000000 ] - [ 0.0000643400000000, 0.0000895900000000, 0.0002051900000000 ] - [ -0.0001608600000000, -0.0002397700000000, 0.0001505800000000 ] - [ -0.0001222500000000, -0.0001941700000000, -0.0000511800000000 ] - [ 0.0000640800000000, -0.0001703200000000, 0.0001292700000000 ] - [ -0.0000178800000000, 0.0001721000000000, -0.0000102000000000 ] - [ -0.0000592200000000, 0.0001527100000000, 0.0003111800000000 ] - [ 0.0000384300000000, 0.0000448300000000, -0.0001935800000000 ] - [ -0.0000425500000000, -0.0000576700000000, -0.0004147100000000 ] - [ -0.0000337100000000, 0.0000408300000000, 0.0000166300000000 ] - [ -0.0001396800000000, -0.0001591000000000, -0.0002312900000000 ] - [ -0.0004259500000000, 0.0004126300000000, -0.0000586700000000 ] - [ 0.0007918600000000, -0.0001677400000000, 0.0000010700000000 ] - [ 0.0002887700000000, -0.0004250300000000, 0.0001201400000000 ] - [ 0.0010819000000000, -0.0008405200000000, -0.0003632400000000 ] - [ 0.0000673200000000, 0.0000776500000000, 0.0001240100000000 ] - [ 0.0000483300000000, -0.0001989000000000, -0.0001989300000000 ] - [ -0.0008296900000000, -0.0005193300000000, 0.0002253300000000 ] - [ -0.0031989100000000, -0.0024206500000000, 0.0025781300000000 ] - [ -0.0003132000000000, -0.0003386500000000, -0.0004172800000000 ] - [ 0.0003346600000000, -0.0020029300000000, 0.0003564200000000 ] - [ -0.0006821800000000, -0.0000139600000000, 0.0002325100000000 ] - [ -0.0001951500000000, -0.0000095900000000, -0.0006163100000000 ] - [ -0.0004408700000000, 0.0006584900000000, -0.0001049600000000 ] - [ 0.0001301000000000, 0.0004049100000000, -0.0000147400000000 ] - [ 0.0004345900000000, 0.0005319500000000, 0.0005697600000000 ] - [ -0.0003248800000000, -0.0007972500000000, -0.0000680100000000 ] - [ -0.0003284000000000, 0.0021486900000000, 0.0014533800000000 ] - [ 0.0001223600000000, -0.0002907700000000, -0.0004938500000000 ] - [ 0.0004291800000000, -0.0002570300000000, 0.0001229500000000 ] - [ -0.0000375900000000, 0.0001109000000000, -0.0004129300000000 ] - [ 0.0002921400000000, 0.0006659000000000, -0.0003032200000000 ] - [ -0.0003047500000000, 0.0003021100000000, -0.0001677000000000 ] - [ 0.0003764000000000, 0.0003658300000000, -0.0005650000000000 ] - [ 0.0001236300000000, 0.0001011800000000, -0.0002161800000000 ] - [ -0.0001278900000000, 0.0005414500000000, 0.0002064600000000 ] - [ 0.0001259400000000, 0.0003259500000000, 0.0002264900000000 ] - [ 0.0000186400000000, 0.0004412500000000, 0.0002988500000000 ] - [ 0.0002820200000000, -0.0002497700000000, 0.0000466800000000 ] - [ -0.0001071300000000, 0.0001642600000000, 0.0004104400000000 ] - [ -0.0006221200000000, 0.0000747800000000, -0.0011073300000000 ] - [ 0.0005504000000000, -0.0000957700000000, 0.0000707800000000 ] - [ 0.0000684700000000, -0.0001393200000000, -0.0001255100000000 ] - [ -0.0006852300000000, 0.0001589300000000, 0.0007359800000000 ] - [ -0.0000296600000000, -0.0001056100000000, 0.0002161400000000 ] - [ -0.0002698700000000, -0.0002377500000000, -0.0000385600000000 ] - [ -0.0051233800000000, -0.0024759500000000, -0.0030646900000000 ] - [ -0.0062083900000000, -0.0023635200000000, -0.0019667500000000 ] - [ -0.0000100600000000, -0.0004609700000000, -0.0001559300000000 ] - [ 0.0001036300000000, 0.0000430500000000, -0.0000008000000000 ] - [ -0.0003976400000000, -0.0002285700000000, -0.0002684800000000 ] - [ 0.0002318900000000, -0.0001876800000000, -0.0001230100000000 ] - [ 0.0000825500000000, 0.0001530100000000, 0.0001079300000000 ] - [ -0.0000943000000000, 0.0001176800000000, -0.0002781600000000 ] - [ 0.0000662700000000, -0.0002370300000000, 0.0001729200000000 ] - [ -0.0001390900000000, -0.0000889300000000, -0.0007524400000000 ] - [ 0.0002092100000000, 0.0009974700000000, -0.0004583800000000 ] - [ -0.0002151000000000, 0.0000864400000000, 0.0000662900000000 ] - [ 0.0002528900000000, -0.0000333300000000, -0.0000718800000000 ] - [ 0.0003991200000000, 0.0000736900000000, -0.0000544900000000 ] - [ 0.0001461300000000, 0.0002734900000000, -0.0000053900000000 ] - [ 0.0001187300000000, -0.0001312700000000, 0.0000238400000000 ] - [ -0.0002531200000000, 0.0008870100000000, 0.0004105600000000 ] - [ 0.0002383300000000, 0.0003681300000000, -0.0002161500000000 ] - [ 0.0000277100000000, 0.0003577000000000, 0.0003589000000000 ] - [ 0.0002862500000000, -0.0000227400000000, 0.0002023500000000 ] - [ -0.0004815800000000, -0.0003283600000000, 0.0010678000000000 ] - [ -0.0001466900000000, 0.0000540900000000, -0.0001607100000000 ] - [ 0.0003337800000000, 0.0003412100000000, 0.0000772200000000 ] - [ -0.0001929200000000, 0.0003944500000000, 0.0004785400000000 ] - [ -0.0001453700000000, 0.0000513500000000, 0.0002500400000000 ] - [ -0.0000825000000000, 0.0002520800000000, 0.0003596200000000 ] - [ -0.0001573700000000, -0.0004089000000000, 0.0001769700000000 ] - [ -0.0003044500000000, -0.0000858200000000, 0.0001032100000000 ] - [ 0.0004558400000000, -0.0005688300000000, -0.0002556400000000 ] - [ 0.0000847600000000, 0.0000632100000000, -0.0001255100000000 ] - [ -0.0003876300000000, -0.0000537900000000, 0.0004045500000000 ] - [ -0.0002133300000000, -0.0001205400000000, 0.0000149400000000 ] - [ -0.0000137300000000, 0.0001598000000000, 0.0001020900000000 ] - [ -0.0000168700000000, -0.0004181200000000, 0.0003438200000000 ] - [ 0.0000293000000000, -0.0005983100000000, 0.0001100000000000 ] - [ 0.0005645800000000, -0.0003495200000000, -0.0001730800000000 ] - [ -0.0001187400000000, -0.0002630700000000, -0.0001454100000000 ] - [ 0.0001537800000000, -0.0002315700000000, -0.0001586900000000 ] - [ 0.0001535100000000, 0.0002103200000000, 0.0000197400000000 ] - [ -0.0003187600000000, 0.0001785200000000, -0.0002474500000000 ] - [ 0.0000366400000000, 0.0000108800000000, -0.0000195100000000 ] - [ -0.0000068700000000, 0.0000852300000000, -0.0001786100000000 ] - [ 0.0002075500000000, 0.0003476000000000, -0.0001015400000000 ] - [ -0.0017718500000000, 0.0000211200000000, -0.0016406500000000 ] - [ 0.0001781200000000, 0.0000134300000000, -0.0000481000000000 ] - [ 0.0004419500000000, 0.0001651700000000, 0.0000296500000000 ] - [ 0.0000813900000000, 0.0002051700000000, -0.0000492100000000 ] - [ -0.0001355100000000, 0.0001238600000000, -0.0003382200000000 ] - [ -0.0003181200000000, 0.0003460800000000, 0.0000219800000000 ] - [ -0.0000137100000000, 0.0003034100000000, -0.0000026800000000 ] - [ -0.0002718200000000, -0.0000537300000000, 0.0003506900000000 ] - [ 0.0002267600000000, 0.0000586600000000, 0.0002000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0045759500000000, -0.0121813300000000, 0.0001059900000000 ] - [ -0.0003303700000000, 0.0003140300000000, 0.0007995400000000 ] - [ 0.0001715000000000, -0.0001803200000000, 0.0002245800000000 ] - [ -0.0000645500000000, 0.0002168300000000, -0.0000944300000000 ] - [ -0.0001224600000000, 0.0003075800000000, 0.0002118900000000 ] - [ 0.0000442000000000, -0.0005402400000000, -0.0001142600000000 ] - [ 0.0000186500000000, 0.0000338600000000, -0.0001540300000000 ] - [ 0.0000420300000000, 0.0002287500000000, 0.0000177400000000 ] - [ -0.0000386200000000, -0.0000007700000000, 0.0001358800000000 ] - [ 0.0000021700000000, 0.0000321900000000, -0.0001248400000000 ] - [ -0.0000594900000000, 0.0000670000000000, 0.0000581400000000 ] - [ -0.0000504400000000, 0.0003850700000000, 0.0002119800000000 ] - [ -0.0001257900000000, 0.0001234100000000, -0.0000093700000000 ] - [ -0.0000525200000000, 0.0002648400000000, -0.0002142000000000 ] - [ -0.0000006300000000, -0.0001919600000000, -0.0004673000000000 ] - [ -0.0000173800000000, 0.0002058000000000, 0.0002472700000000 ] - [ 0.0002082300000000, 0.0005896400000000, -0.0001444800000000 ] - [ -0.0005572400000000, -0.0007595400000000, -0.0005272900000000 ] - [ 0.0003966700000000, -0.0012409400000000, -0.0008359300000000 ] - [ -0.0001957000000000, 0.0006365200000000, 0.0002817900000000 ] - [ 0.0012240100000000, 0.0014997000000000, -0.0012482800000000 ] - [ 0.0000157100000000, 0.0004951600000000, 0.0001688800000000 ] - [ 0.0001075600000000, 0.0001791700000000, -0.0001194200000000 ] - [ -0.0001193800000000, -0.0001226100000000, -0.0002245600000000 ] - [ 0.0011238900000000, -0.0035852000000000, -0.0002495700000000 ] - [ -0.0002793200000000, -0.0000794500000000, 0.0001991300000000 ] - [ 0.0004235500000000, 0.0014667900000000, -0.0003972600000000 ] - [ 0.0008895900000000, -0.0002836600000000, -0.0003136400000000 ] - [ 0.0000265200000000, 0.0002356000000000, -0.0006079200000000 ] - [ -0.0003596900000000, 0.0008465900000000, -0.0000300300000000 ] - [ -0.0004329100000000, -0.0000723000000000, -0.0000877100000000 ] - [ 0.0004172500000000, 0.0003545100000000, -0.0000343800000000 ] - [ -0.0004987000000000, -0.0004606200000000, -0.0000732500000000 ] - [ -0.0025478700000000, 0.0002913800000000, -0.0012492400000000 ] - [ 0.0001390800000000, 0.0000743600000000, -0.0006151100000000 ] - [ 0.0003593800000000, -0.0000639300000000, 0.0000865200000000 ] - [ -0.0000720900000000, 0.0002130200000000, -0.0003359200000000 ] - [ -0.0001480000000000, 0.0009330900000000, 0.0000069500000000 ] - [ -0.0002147300000000, 0.0004838900000000, -0.0002559800000000 ] - [ 0.0003884700000000, 0.0009233600000000, 0.0000565400000000 ] - [ 0.0001004900000000, -0.0003152300000000, -0.0000910700000000 ] - [ -0.0002329400000000, 0.0008354900000000, -0.0000301600000000 ] - [ 0.0000530500000000, -0.0008149500000000, -0.0000367200000000 ] - [ -0.0000141100000000, 0.0004412300000000, 0.0003494800000000 ] - [ -0.0002963800000000, 0.0003517400000000, 0.0002714500000000 ] - [ -0.0001210800000000, 0.0001681700000000, 0.0005263300000000 ] - [ -0.0005948800000000, 0.0004318200000000, -0.0008487500000000 ] - [ 0.0003830300000000, -0.0002789500000000, -0.0000166300000000 ] - [ 0.0001707100000000, -0.0003161100000000, -0.0000373700000000 ] - [ -0.0001707500000000, 0.0006622300000000, 0.0007736300000000 ] - [ -0.0001490000000000, -0.0001294200000000, 0.0002282600000000 ] - [ -0.0002483600000000, 0.0002471400000000, -0.0001021000000000 ] - [ 0.0032136700000000, 0.0010774800000000, 0.0018579400000000 ] - [ 0.0017366000000000, -0.0002202900000000, 0.0009181000000000 ] - [ -0.0000437300000000, -0.0003564500000000, 0.0000026500000000 ] - [ 0.0002649000000000, -0.0001431700000000, -0.0000752200000000 ] - [ -0.0002340700000000, -0.0002691600000000, -0.0002706900000000 ] - [ 0.0002295000000000, -0.0003583700000000, -0.0000878200000000 ] - [ 0.0001281600000000, 0.0005024100000000, -0.0000062900000000 ] - [ -0.0002515900000000, 0.0002794700000000, -0.0001240100000000 ] - [ 0.0000329200000000, -0.0001234000000000, 0.0001091000000000 ] - [ -0.0001852300000000, 0.0000783500000000, 0.0001192500000000 ] - [ 0.0002695200000000, 0.0019072300000000, -0.0000192400000000 ] - [ -0.0002227400000000, -0.0000915900000000, -0.0001281700000000 ] - [ 0.0001564200000000, 0.0001435700000000, 0.0000465000000000 ] - [ 0.0005682000000000, 0.0003276900000000, -0.0000469500000000 ] - [ 0.0000089300000000, 0.0003037500000000, 0.0001362800000000 ] - [ 0.0001637600000000, -0.0003799600000000, -0.0000062600000000 ] - [ -0.0001551800000000, 0.0001433000000000, 0.0000139800000000 ] - [ -0.0001086000000000, 0.0002865500000000, 0.0001637400000000 ] - [ -0.0002993000000000, -0.0005634300000000, 0.0003510700000000 ] - [ 0.0002541200000000, -0.0000564000000000, 0.0004219300000000 ] - [ 0.0004778400000000, 0.0015158100000000, -0.0019133300000000 ] - [ -0.0000726200000000, 0.0000794400000000, -0.0001343600000000 ] - [ 0.0003090600000000, -0.0002179600000000, 0.0001942200000000 ] - [ -0.0000925300000000, 0.0004212900000000, 0.0001288100000000 ] - [ -0.0001709400000000, -0.0000770200000000, 0.0002299100000000 ] - [ -0.0000583000000000, 0.0001318700000000, 0.0003358400000000 ] - [ -0.0002152500000000, -0.0004207200000000, 0.0001163600000000 ] - [ 0.0001494400000000, 0.0037480200000000, 0.0015952000000000 ] - [ 0.0000740200000000, 0.0003947700000000, 0.0001092800000000 ] - [ 0.0000388100000000, -0.0001397100000000, -0.0001741500000000 ] - [ -0.0000849200000000, -0.0002505200000000, 0.0004835200000000 ] - [ -0.0002145300000000, -0.0003379000000000, 0.0000877300000000 ] - [ -0.0000265200000000, -0.0001824300000000, 0.0000157400000000 ] - [ -0.0000655200000000, -0.0005154900000000, 0.0003729300000000 ] - [ 0.0000978900000000, -0.0006587000000000, 0.0000236200000000 ] - [ 0.0006956100000000, -0.0001031700000000, 0.0001413700000000 ] - [ 0.0000078200000000, -0.0003743800000000, -0.0000421900000000 ] - [ 0.0001772000000000, 0.0000463200000000, -0.0002331300000000 ] - [ 0.0001460000000000, 0.0000268300000000, 0.0000330900000000 ] - [ -0.0002946500000000, 0.0000605000000000, -0.0002727000000000 ] - [ 0.0000556300000000, -0.0002422000000000, 0.0000230400000000 ] - [ -0.0001669100000000, -0.0001140200000000, -0.0001082100000000 ] - [ 0.0002247100000000, 0.0001165700000000, -0.0002084500000000 ] - [ -0.0006630100000000, 0.0006605700000000, -0.0002584200000000 ] - [ 0.0001585700000000, -0.0000967800000000, -0.0000464600000000 ] - [ 0.0004338700000000, 0.0000612000000000, 0.0000277500000000 ] - [ 0.0000944500000000, 0.0001441400000000, -0.0000842300000000 ] - [ -0.0003691400000000, 0.0006474700000000, 0.0002110800000000 ] - [ -0.0000990500000000, 0.0006392300000000, 0.0001624500000000 ] - [ 0.0000099000000000, 0.0001149500000000, 0.0000322700000000 ] - [ -0.0003255700000000, -0.0004105200000000, 0.0003837400000000 ] - [ 0.0002279400000000, -0.0000774600000000, 0.0001210400000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0042955300000000, 0.0120006200000000, 0.0001525200000000 ] - [ 0.0002626000000000, -0.0006334000000000, -0.0009152200000000 ] - [ -0.0002079100000000, -0.0000951600000000, 0.0000263600000000 ] - [ -0.0000014600000000, 0.0001043100000000, -0.0000287100000000 ] - [ -0.0000880900000000, 0.0000387900000000, 0.0000748100000000 ] - [ -0.0000558900000000, 0.0007319000000000, -0.0002837900000000 ] - [ -0.0000285100000000, -0.0002254900000000, -0.0002439300000000 ] - [ -0.0000779500000000, 0.0000456300000000, 0.0002327300000000 ] - [ -0.0001718300000000, -0.0003454900000000, 0.0001506200000000 ] - [ -0.0000680500000000, -0.0003533300000000, 0.0000018800000000 ] - [ 0.0000231700000000, -0.0003413000000000, 0.0001932600000000 ] - [ -0.0000157300000000, -0.0000637300000000, -0.0003344600000000 ] - [ -0.0000853700000000, 0.0002233200000000, 0.0002955500000000 ] - [ 0.0000429400000000, -0.0000729000000000, -0.0001843300000000 ] - [ -0.0000088100000000, 0.0000004600000000, 0.0000694200000000 ] - [ -0.0000186800000000, 0.0000686500000000, 0.0000039900000000 ] - [ -0.0000361700000000, -0.0003442800000000, -0.0002064300000000 ] - [ 0.0006278500000000, 0.0011036100000000, 0.0007766500000000 ] - [ -0.0002252800000000, 0.0009943300000000, 0.0004846800000000 ] - [ 0.0002641100000000, -0.0009775200000000, -0.0000294100000000 ] - [ -0.0010611100000000, -0.0012649800000000, 0.0009067600000000 ] - [ 0.0000541400000000, -0.0001500900000000, 0.0000807400000000 ] - [ 0.0000639700000000, -0.0004237400000000, -0.0002314800000000 ] - [ 0.0001903100000000, -0.0002232900000000, 0.0004752800000000 ] - [ -0.0019496600000000, 0.0022058600000000, 0.0000744200000000 ] - [ -0.0002271700000000, -0.0005324200000000, -0.0004630900000000 ] - [ -0.0005505400000000, -0.0016900200000000, -0.0003945000000000 ] - [ -0.0001289700000000, -0.0001182400000000, 0.0004664300000000 ] - [ -0.0001706200000000, -0.0000214700000000, -0.0001943100000000 ] - [ -0.0004746100000000, 0.0005389800000000, -0.0001370700000000 ] - [ -0.0000732900000000, 0.0006835100000000, -0.0001766700000000 ] - [ 0.0003427200000000, 0.0000501500000000, 0.0001867800000000 ] - [ -0.0003356500000000, -0.0009249600000000, -0.0000934100000000 ] - [ 0.0020564400000000, -0.0009033100000000, 0.0009923300000000 ] - [ -0.0002839500000000, -0.0002876600000000, -0.0001855200000000 ] - [ 0.0004004000000000, -0.0003396400000000, 0.0000649000000000 ] - [ -0.0000716800000000, 0.0000008800000000, -0.0004660000000000 ] - [ -0.0006804000000000, 0.0004552800000000, -0.0001744100000000 ] - [ -0.0002909900000000, 0.0001286900000000, -0.0000080700000000 ] - [ 0.0003706400000000, -0.0005245700000000, 0.0000961100000000 ] - [ 0.0000398800000000, 0.0002647700000000, -0.0001806000000000 ] - [ 0.0000292100000000, -0.0007497600000000, -0.0002903600000000 ] - [ 0.0004145200000000, 0.0007371100000000, 0.0003817800000000 ] - [ 0.0000145700000000, 0.0004410900000000, 0.0002976200000000 ] - [ -0.0000173800000000, -0.0003160200000000, 0.0002194800000000 ] - [ -0.0000419500000000, 0.0002994900000000, 0.0001762700000000 ] - [ 0.0002255700000000, -0.0012307900000000, 0.0011534800000000 ] - [ 0.0004726900000000, -0.0000230000000000, 0.0000616500000000 ] - [ 0.0000166900000000, -0.0000743500000000, -0.0000829800000000 ] - [ 0.0003065600000000, -0.0006109200000000, -0.0010493900000000 ] - [ -0.0001658000000000, 0.0000928600000000, 0.0002650100000000 ] - [ -0.0001845600000000, -0.0005143600000000, 0.0001321900000000 ] - [ -0.0030513000000000, -0.0009650800000000, -0.0018175600000000 ] - [ -0.0017534800000000, -0.0006554900000000, -0.0002736800000000 ] - [ 0.0000593900000000, -0.0001687100000000, 0.0000243600000000 ] - [ 0.0000927300000000, 0.0001556700000000, -0.0000166700000000 ] - [ -0.0003651100000000, -0.0000510900000000, -0.0002202300000000 ] - [ 0.0002332600000000, -0.0000720400000000, -0.0001428700000000 ] - [ 0.0001631200000000, -0.0001660400000000, 0.0000613400000000 ] - [ -0.0003489500000000, 0.0000405900000000, -0.0003663600000000 ] - [ 0.0000577000000000, 0.0000501100000000, -0.0001108100000000 ] - [ -0.0000166800000000, -0.0001633700000000, -0.0004357800000000 ] - [ 0.0001782000000000, -0.0014708100000000, -0.0002028800000000 ] - [ -0.0002099900000000, 0.0003588700000000, 0.0001587900000000 ] - [ 0.0002003200000000, -0.0001560300000000, -0.0001381800000000 ] - [ 0.0002867300000000, -0.0000251200000000, 0.0000915400000000 ] - [ 0.0001777600000000, 0.0000858300000000, -0.0002557200000000 ] - [ 0.0001282400000000, 0.0000432900000000, 0.0000617700000000 ] - [ -0.0002006000000000, 0.0006711300000000, 0.0003213100000000 ] - [ 0.0001241500000000, 0.0002379700000000, -0.0001364500000000 ] - [ 0.0001346200000000, 0.0000999200000000, 0.0003505400000000 ] - [ 0.0002178800000000, 0.0001279500000000, -0.0000728600000000 ] - [ -0.0003597800000000, -0.0015816100000000, 0.0016807100000000 ] - [ -0.0001290600000000, 0.0000067900000000, -0.0001805900000000 ] - [ 0.0001620400000000, 0.0001458800000000, 0.0001545800000000 ] - [ 0.0000916300000000, 0.0004608000000000, 0.0005174900000000 ] - [ -0.0001446000000000, 0.0001131100000000, 0.0002637500000000 ] - [ -0.0001045500000000, 0.0003356300000000, 0.0003663300000000 ] - [ -0.0001386700000000, -0.0003929700000000, 0.0002194300000000 ] - [ 0.0007454300000000, -0.0042441000000000, -0.0015878400000000 ] - [ 0.0001101100000000, -0.0007855800000000, -0.0002297900000000 ] - [ 0.0001012600000000, 0.0001901800000000, -0.0000972300000000 ] - [ -0.0002312700000000, 0.0002152700000000, 0.0000086100000000 ] - [ -0.0002184200000000, 0.0000701300000000, -0.0000574600000000 ] - [ 0.0001174900000000, 0.0002568000000000, -0.0000173900000000 ] - [ 0.0000647400000000, -0.0003674200000000, 0.0002741900000000 ] - [ -0.0000810900000000, 0.0001342400000000, 0.0000049400000000 ] - [ -0.0003401900000000, 0.0001158700000000, -0.0002359600000000 ] - [ -0.0006092400000000, 0.0000548400000000, -0.0004492800000000 ] - [ 0.0002851500000000, -0.0004775100000000, 0.0000028100000000 ] - [ 0.0001460500000000, 0.0003096600000000, 0.0000225200000000 ] - [ -0.0003051500000000, 0.0002591800000000, -0.0002175800000000 ] - [ 0.0000348200000000, 0.0001671700000000, -0.0000238700000000 ] - [ -0.0000356300000000, 0.0000262100000000, -0.0002066900000000 ] - [ 0.0002384200000000, 0.0003136300000000, -0.0000223800000000 ] - [ 0.0002425900000000, -0.0004010500000000, 0.0002957200000000 ] - [ 0.0001984600000000, 0.0000836200000000, -0.0000455100000000 ] - [ 0.0004211800000000, 0.0002406700000000, 0.0000171600000000 ] - [ 0.0000920200000000, 0.0002458500000000, -0.0000357800000000 ] - [ 0.0006615600000000, -0.0009838100000000, -0.0001551400000000 ] - [ -0.0002529800000000, 0.0001759700000000, 0.0001731500000000 ] - [ 0.0000056900000000, 0.0004089500000000, -0.0000042000000000 ] - [ 0.0001637000000000, -0.0000564800000000, 0.0003183400000000 ] - [ 0.0002438600000000, 0.0001484300000000, 0.0002277600000000 ]- atom: 1 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ 0.0030920800000000, 0.0013025800000000, -0.0102906500000000 ] - [ -0.0000938500000000, 0.0007625200000000, 0.0007310000000000 ] - [ -0.0001433900000000, -0.0000023800000000, 0.0004072300000000 ] - [ 0.0000418000000000, 0.0000581900000000, -0.0001807700000000 ] - [ -0.0000530300000000, 0.0001029300000000, 0.0001857500000000 ] - [ -0.0007563000000000, 0.0001801600000000, -0.0006173100000000 ] - [ -0.0000523900000000, -0.0001520500000000, -0.0001309600000000 ] - [ -0.0000667600000000, -0.0000293200000000, 0.0000273300000000 ] - [ -0.0001304600000000, -0.0002020400000000, 0.0001219300000000 ] - [ -0.0000790400000000, -0.0002139700000000, -0.0000140800000000 ] - [ 0.0000152800000000, -0.0001975300000000, 0.0001578600000000 ] - [ -0.0000809800000000, 0.0002137900000000, -0.0001469300000000 ] - [ -0.0002501200000000, 0.0003104900000000, 0.0005639900000000 ] - [ 0.0000168600000000, 0.0000662500000000, -0.0002387500000000 ] - [ 0.0000909600000000, -0.0000199900000000, 0.0000122700000000 ] - [ 0.0000439500000000, 0.0001543300000000, -0.0000060700000000 ] - [ 0.0000520400000000, 0.0001814800000000, -0.0000748700000000 ] - [ 0.0007200300000000, 0.0004992400000000, 0.0008302900000000 ] - [ -0.0003460100000000, -0.0007020200000000, 0.0010723600000000 ] - [ 0.0000594900000000, -0.0001966900000000, 0.0001468400000000 ] - [ 0.0006029300000000, -0.0011433400000000, -0.0008356700000000 ] - [ 0.0000157600000000, 0.0001008200000000, 0.0001276200000000 ] - [ 0.0001024300000000, -0.0001795500000000, -0.0001895100000000 ] - [ -0.0001412500000000, -0.0004638600000000, -0.0000574800000000 ] - [ -0.0039556600000000, -0.0015895200000000, -0.0001704700000000 ] - [ -0.0001721900000000, -0.0003382800000000, -0.0002643400000000 ] - [ -0.0003598100000000, 0.0004694800000000, -0.0002068900000000 ] - [ -0.0006320900000000, -0.0001275700000000, 0.0008504800000000 ] - [ -0.0001442200000000, 0.0001321600000000, -0.0000417000000000 ] - [ -0.0004223800000000, 0.0005908800000000, -0.0000914400000000 ] - [ -0.0001944400000000, 0.0003367600000000, 0.0000741900000000 ] - [ 0.0003330500000000, 0.0003737800000000, 0.0004267700000000 ] - [ -0.0004206900000000, -0.0007447200000000, -0.0000662200000000 ] - [ -0.0009191800000000, -0.0011895600000000, -0.0012548900000000 ] - [ 0.0000065000000000, -0.0001837100000000, -0.0006517500000000 ] - [ 0.0004081700000000, -0.0001757700000000, -0.0001073100000000 ] - [ -0.0000490200000000, 0.0001616200000000, -0.0004151900000000 ] - [ 0.0017597200000000, 0.0017850500000000, 0.0004904700000000 ] - [ -0.0002811900000000, 0.0002208200000000, 0.0000499200000000 ] - [ 0.0005626200000000, 0.0001625200000000, -0.0000445500000000 ] - [ 0.0000559000000000, 0.0000234700000000, -0.0001390200000000 ] - [ -0.0002869800000000, -0.0004573500000000, -0.0006885000000000 ] - [ 0.0002194700000000, -0.0001690300000000, 0.0001586200000000 ] - [ -0.0000015900000000, 0.0004395100000000, 0.0003772300000000 ] - [ 0.0004559800000000, -0.0002420600000000, -0.0001847700000000 ] - [ -0.0000020800000000, 0.0003259500000000, 0.0001952600000000 ] - [ 0.0006084000000000, -0.0018398600000000, 0.0020461000000000 ] - [ 0.0004044000000000, -0.0001826800000000, 0.0000370500000000 ] - [ 0.0001268200000000, -0.0001800900000000, -0.0000480300000000 ] - [ -0.0016647300000000, 0.0005181300000000, 0.0020297800000000 ] - [ -0.0001301000000000, -0.0000509200000000, 0.0001839600000000 ] - [ -0.0002766000000000, -0.0001205600000000, -0.0001498400000000 ] - [ 0.0013041300000000, 0.0005740900000000, 0.0002757900000000 ] - [ -0.0000608900000000, -0.0007342800000000, -0.0007358400000000 ] - [ 0.0000523400000000, -0.0004114900000000, -0.0001426600000000 ] - [ 0.0001366100000000, 0.0000049100000000, -0.0000170000000000 ] - [ -0.0003301800000000, -0.0002203300000000, -0.0002845300000000 ] - [ 0.0002268400000000, -0.0001865800000000, -0.0001351400000000 ] - [ -0.0001709200000000, -0.0000515800000000, 0.0000401900000000 ] - [ -0.0002603300000000, 0.0001470300000000, -0.0004329300000000 ] - [ 0.0000721800000000, 0.0002748100000000, -0.0003262200000000 ] - [ -0.0000502900000000, -0.0000619000000000, -0.0001288600000000 ] - [ 0.0005891200000000, 0.0008168100000000, 0.0002871900000000 ] - [ -0.0002318600000000, 0.0001048500000000, 0.0000420300000000 ] - [ 0.0002671400000000, -0.0000704700000000, -0.0002486400000000 ] - [ 0.0006049200000000, 0.0001870500000000, -0.0003089900000000 ] - [ 0.0000923200000000, 0.0001669300000000, -0.0004331100000000 ] - [ 0.0001573400000000, -0.0001274100000000, 0.0000249500000000 ] - [ -0.0002139700000000, 0.0004130700000000, 0.0001489600000000 ] - [ 0.0002177500000000, 0.0004981700000000, -0.0003969000000000 ] - [ -0.0001695400000000, -0.0005755900000000, 0.0003169900000000 ] - [ 0.0001906600000000, 0.0002042800000000, -0.0000016900000000 ] - [ -0.0011075600000000, -0.0015838400000000, 0.0035849100000000 ] - [ -0.0001224500000000, 0.0000303400000000, -0.0001963600000000 ] - [ 0.0002601800000000, 0.0000163100000000, 0.0002022800000000 ] - [ -0.0005666100000000, 0.0003267200000000, 0.0004812900000000 ] - [ -0.0001753600000000, 0.0000294700000000, 0.0002657000000000 ] - [ -0.0000738200000000, 0.0002191200000000, 0.0003640500000000 ] - [ -0.0001615100000000, -0.0004241000000000, 0.0001942000000000 ] - [ 0.0002535700000000, 0.0012002900000000, 0.0007041500000000 ] - [ 0.0001139900000000, 0.0000731700000000, 0.0002944900000000 ] - [ 0.0000862700000000, 0.0000921200000000, -0.0001339500000000 ] - [ -0.0002566300000000, 0.0000760100000000, 0.0003600400000000 ] - [ -0.0002085100000000, -0.0000618000000000, -0.0000431000000000 ] - [ 0.0000031700000000, 0.0001524600000000, 0.0001615500000000 ] - [ 0.0000052500000000, -0.0004664900000000, 0.0002915100000000 ] - [ -0.0000068300000000, -0.0001507900000000, 0.0001026600000000 ] - [ 0.0001299200000000, 0.0001375400000000, 0.0002868700000000 ] - [ -0.0002428500000000, -0.0000951500000000, -0.0001848900000000 ] - [ 0.0000315300000000, -0.0005537700000000, -0.0002006400000000 ] - [ 0.0001324100000000, 0.0002357900000000, 0.0000227800000000 ] - [ -0.0002844200000000, 0.0001653900000000, -0.0002232800000000 ] - [ 0.0000502200000000, 0.0000027900000000, 0.0000004900000000 ] - [ 0.0001265500000000, 0.0002893700000000, -0.0001786600000000 ] - [ 0.0002430700000000, 0.0002185500000000, -0.0001086200000000 ] - [ 0.0007475200000000, 0.0002382900000000, 0.0014358600000000 ] - [ 0.0002090300000000, 0.0000205800000000, -0.0000781700000000 ] - [ 0.0004115100000000, 0.0001740700000000, 0.0000037200000000 ] - [ 0.0000893900000000, 0.0002256600000000, -0.0000705900000000 ] - [ 0.0006877700000000, -0.0000493100000000, 0.0002012600000000 ] - [ -0.0004709100000000, 0.0000774700000000, 0.0001962800000000 ] - [ -0.0000159100000000, 0.0002234100000000, 0.0001033300000000 ] - [ -0.0002251600000000, -0.0001952600000000, 0.0004150500000000 ] - [ 0.0002257200000000, 0.0000246900000000, 0.0002058300000000 ]- atom: 1 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0031813500000000, -0.0015667800000000, 0.0106077500000000 ] - [ 0.0000276200000000, -0.0010755700000000, -0.0008523500000000 ] - [ 0.0001060700000000, -0.0002722800000000, -0.0001570200000000 ] - [ -0.0001079400000000, 0.0002640200000000, 0.0000583000000000 ] - [ -0.0001578600000000, 0.0002434800000000, 0.0001003600000000 ] - [ 0.0007479300000000, 0.0000112400000000, 0.0002221400000000 ] - [ 0.0000427900000000, -0.0000395000000000, -0.0002676000000000 ] - [ 0.0000304700000000, 0.0003049300000000, 0.0002247300000000 ] - [ -0.0000801700000000, -0.0001443000000000, 0.0001648400000000 ] - [ 0.0000130200000000, -0.0001073600000000, -0.0001092900000000 ] - [ -0.0000514300000000, -0.0000768000000000, 0.0000930600000000 ] - [ 0.0000151500000000, 0.0001077800000000, 0.0000249800000000 ] - [ 0.0000391300000000, 0.0000355000000000, -0.0002789000000000 ] - [ -0.0000263700000000, 0.0001255500000000, -0.0001595000000000 ] - [ -0.0001003800000000, -0.0001724900000000, -0.0004119600000000 ] - [ -0.0000803500000000, 0.0001198000000000, 0.0002577300000000 ] - [ 0.0001185500000000, 0.0000633000000000, -0.0002764100000000 ] - [ -0.0006467500000000, -0.0001528100000000, -0.0005808100000000 ] - [ 0.0005143100000000, 0.0004628300000000, -0.0014310000000000 ] - [ 0.0000118000000000, -0.0001508800000000, 0.0001021100000000 ] - [ -0.0004279200000000, 0.0013865800000000, 0.0004802900000000 ] - [ 0.0000544100000000, 0.0002435200000000, 0.0001219400000000 ] - [ 0.0000687100000000, -0.0000651500000000, -0.0001613800000000 ] - [ 0.0002108500000000, 0.0001164500000000, 0.0003058700000000 ] - [ 0.0030928700000000, 0.0001979100000000, 0.0000059500000000 ] - [ -0.0003339400000000, -0.0002749000000000, 0.0000000800000000 ] - [ 0.0002183400000000, -0.0006910200000000, -0.0005905700000000 ] - [ 0.0013984000000000, -0.0002776000000000, -0.0007040700000000 ] - [ -0.0000004900000000, 0.0000786100000000, -0.0007612100000000 ] - [ -0.0004125200000000, 0.0007972000000000, -0.0000759300000000 ] - [ -0.0003096200000000, 0.0002760600000000, -0.0003376800000000 ] - [ 0.0004265100000000, 0.0000312500000000, -0.0002749900000000 ] - [ -0.0004136200000000, -0.0006427200000000, -0.0001014700000000 ] - [ 0.0004065600000000, 0.0005822700000000, 0.0009924500000000 ] - [ -0.0001498900000000, -0.0000283400000000, -0.0001502700000000 ] - [ 0.0003516300000000, -0.0002291300000000, 0.0002595800000000 ] - [ -0.0000944700000000, 0.0000500600000000, -0.0003864500000000 ] - [ -0.0025952900000000, -0.0004024400000000, -0.0006635500000000 ] - [ -0.0002247200000000, 0.0003929500000000, -0.0003143900000000 ] - [ 0.0001982200000000, 0.0002427000000000, 0.0001935200000000 ] - [ 0.0000836300000000, -0.0000750300000000, -0.0001333800000000 ] - [ 0.0000875800000000, 0.0005379000000000, 0.0003733400000000 ] - [ 0.0002526000000000, 0.0001017400000000, 0.0001918000000000 ] - [ 0.0000020600000000, 0.0004447500000000, 0.0002697000000000 ] - [ -0.0007738700000000, 0.0002817500000000, 0.0006796300000000 ] - [ -0.0001610200000000, 0.0001397200000000, 0.0005075800000000 ] - [ -0.0009925900000000, 0.0010652900000000, -0.0017515400000000 ] - [ 0.0004506500000000, -0.0001199900000000, 0.0000092500000000 ] - [ 0.0000595300000000, -0.0002080500000000, -0.0000714000000000 ] - [ 0.0018191400000000, -0.0005080700000000, -0.0024195100000000 ] - [ -0.0001855500000000, 0.0000148100000000, 0.0003084200000000 ] - [ -0.0001562800000000, -0.0001457600000000, 0.0001804900000000 ] - [ -0.0012252400000000, -0.0005018100000000, -0.0002931400000000 ] - [ 0.0000835700000000, -0.0001447700000000, 0.0013846900000000 ] - [ -0.0000356200000000, -0.0001122600000000, 0.0001699600000000 ] - [ 0.0002205600000000, 0.0000077300000000, -0.0000735000000000 ] - [ -0.0002691900000000, -0.0000995000000000, -0.0002066000000000 ] - [ 0.0002363200000000, -0.0002446200000000, -0.0000953000000000 ] - [ 0.0004644100000000, 0.0003913400000000, 0.0000167400000000 ] - [ -0.0003405200000000, 0.0001725700000000, -0.0000580800000000 ] - [ 0.0000183200000000, -0.0003504400000000, 0.0003267600000000 ] - [ -0.0001514800000000, -0.0000215300000000, -0.0001891500000000 ] - [ -0.0001522900000000, -0.0003746900000000, -0.0005018400000000 ] - [ -0.0002009300000000, 0.0001612100000000, -0.0000114900000000 ] - [ 0.0000885600000000, 0.0000581400000000, 0.0001574700000000 ] - [ 0.0002499700000000, 0.0001155000000000, 0.0003539700000000 ] - [ 0.0000950400000000, 0.0002192200000000, 0.0003156100000000 ] - [ 0.0001356800000000, -0.0002111900000000, 0.0000311700000000 ] - [ -0.0001405900000000, 0.0004008100000000, 0.0001873400000000 ] - [ -0.0002034100000000, 0.0000228100000000, 0.0004274000000000 ] - [ 0.0000063900000000, 0.0001125700000000, 0.0003858300000000 ] - [ 0.0002815600000000, -0.0001342800000000, 0.0003504700000000 ] - [ 0.0011693900000000, 0.0014411400000000, -0.0037343600000000 ] - [ -0.0000794000000000, 0.0000540600000000, -0.0001191300000000 ] - [ 0.0002116200000000, -0.0000871200000000, 0.0001471900000000 ] - [ 0.0005664400000000, 0.0005584000000000, 0.0001643100000000 ] - [ -0.0001404800000000, 0.0000065300000000, 0.0002264700000000 ] - [ -0.0000897600000000, 0.0002471000000000, 0.0003385700000000 ] - [ -0.0001925100000000, -0.0003875800000000, 0.0001404800000000 ] - [ 0.0005989100000000, -0.0015028600000000, -0.0006518600000000 ] - [ 0.0000714700000000, -0.0004586300000000, -0.0004113000000000 ] - [ 0.0000528400000000, -0.0000405800000000, -0.0001380500000000 ] - [ -0.0000602500000000, -0.0001116600000000, 0.0001328400000000 ] - [ -0.0002244300000000, -0.0002048300000000, 0.0000733900000000 ] - [ 0.0000873800000000, -0.0000782200000000, -0.0001627600000000 ] - [ -0.0000047600000000, -0.0004174900000000, 0.0003561800000000 ] - [ 0.0000232100000000, -0.0003733900000000, -0.0000744500000000 ] - [ 0.0002281300000000, -0.0001242000000000, -0.0003772300000000 ] - [ -0.0003558400000000, -0.0002251300000000, -0.0003059800000000 ] - [ 0.0004319300000000, 0.0001245900000000, -0.0000288600000000 ] - [ 0.0001611100000000, 0.0001024500000000, 0.0000331600000000 ] - [ -0.0003148600000000, 0.0001540000000000, -0.0002682400000000 ] - [ 0.0000401400000000, -0.0000776000000000, -0.0000013700000000 ] - [ -0.0003280500000000, -0.0003739900000000, -0.0001375700000000 ] - [ 0.0002199600000000, 0.0002126100000000, -0.0001214200000000 ] - [ -0.0011673400000000, 0.0000216100000000, -0.0014043800000000 ] - [ 0.0001483800000000, -0.0000330500000000, -0.0000124500000000 ] - [ 0.0004431000000000, 0.0001286800000000, 0.0000423300000000 ] - [ 0.0000971600000000, 0.0001623200000000, -0.0000482200000000 ] - [ -0.0003962200000000, -0.0002888300000000, -0.0001430500000000 ] - [ 0.0001178800000000, 0.0007366500000000, 0.0001388800000000 ] - [ 0.0000316800000000, 0.0003002800000000, -0.0000761600000000 ] - [ 0.0000612500000000, -0.0002708200000000, 0.0002879200000000 ] - [ 0.0002466500000000, 0.0000457500000000, 0.0001436000000000 ]- atom: 2 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0005404100000000, -0.0004660000000000, -0.0000680500000000 ] - [ -0.0129136800000000, -0.0057154100000000, -0.0008651000000000 ] - [ 0.0013891000000000, -0.0002077500000000, 0.0003050800000000 ] - [ 0.0001577500000000, 0.0001642800000000, 0.0000824400000000 ] - [ -0.0000197000000000, 0.0002049900000000, 0.0002521400000000 ] - [ 0.0002745400000000, -0.0000978100000000, -0.0002396700000000 ] - [ -0.0000112100000000, -0.0001445900000000, -0.0002309500000000 ] - [ -0.0001452100000000, 0.0001299600000000, -0.0001080900000000 ] - [ -0.0000160400000000, -0.0001383300000000, 0.0001256900000000 ] - [ 0.0000101200000000, -0.0000996000000000, -0.0000721800000000 ] - [ -0.0000634800000000, -0.0000822300000000, 0.0001157700000000 ] - [ -0.0000480100000000, 0.0001871400000000, -0.0000448200000000 ] - [ -0.0001204100000000, 0.0001901600000000, 0.0000868100000000 ] - [ -0.0000652900000000, 0.0001148000000000, -0.0001964200000000 ] - [ 0.0000283000000000, -0.0002019300000000, -0.0002131300000000 ] - [ -0.0000031900000000, 0.0001901800000000, 0.0001958100000000 ] - [ 0.0009303200000000, 0.0004722800000000, -0.0002351400000000 ] - [ 0.0007578100000000, 0.0002315100000000, 0.0003977200000000 ] - [ -0.0001540500000000, 0.0003193900000000, -0.0006298500000000 ] - [ -0.0009736200000000, 0.0006008900000000, 0.0003113000000000 ] - [ -0.0001152300000000, 0.0003386300000000, -0.0001834200000000 ] - [ 0.0000018000000000, 0.0002767100000000, 0.0001237900000000 ] - [ 0.0001059100000000, -0.0000448800000000, -0.0001546000000000 ] - [ 0.0002083700000000, 0.0000677300000000, 0.0001177700000000 ] - [ -0.0005564300000000, 0.0010770100000000, -0.0009350700000000 ] - [ -0.0001774100000000, -0.0005017100000000, 0.0003837400000000 ] - [ 0.0013803300000000, 0.0011016800000000, -0.0027994900000000 ] - [ 0.0006534900000000, -0.0011275300000000, 0.0004097200000000 ] - [ 0.0014823000000000, -0.0002944100000000, -0.0003269300000000 ] - [ -0.0003727000000000, 0.0007239300000000, -0.0000596400000000 ] - [ -0.0018993300000000, -0.0002578800000000, 0.0001311100000000 ] - [ 0.0006345700000000, -0.0021255500000000, -0.0011592000000000 ] - [ -0.0007319500000000, -0.0005114800000000, -0.0000424700000000 ] - [ -0.0003218900000000, -0.0005479800000000, -0.0005260400000000 ] - [ -0.0000988900000000, 0.0000005100000000, -0.0004213400000000 ] - [ 0.0003488100000000, -0.0001573300000000, 0.0000284600000000 ] - [ -0.0000829800000000, 0.0001255400000000, -0.0003840900000000 ] - [ -0.0003736600000000, 0.0007171200000000, -0.0002105300000000 ] - [ -0.0001903700000000, 0.0002985500000000, -0.0000801400000000 ] - [ 0.0003867000000000, 0.0002515000000000, 0.0003160500000000 ] - [ -0.0000707600000000, -0.0005027400000000, 0.0000228200000000 ] - [ -0.0006522300000000, 0.0000608200000000, 0.0000773300000000 ] - [ 0.0002299900000000, -0.0005188200000000, 0.0002215900000000 ] - [ -0.0000391200000000, 0.0004312700000000, 0.0003143100000000 ] - [ 0.0001799400000000, 0.0002411900000000, 0.0002152700000000 ] - [ -0.0009316500000000, 0.0002589100000000, 0.0001706700000000 ] - [ -0.0001076400000000, -0.0003326600000000, 0.0002401000000000 ] - [ 0.0002276400000000, -0.0000492300000000, -0.0000689300000000 ] - [ 0.0001772300000000, -0.0002218800000000, 0.0000760600000000 ] - [ 0.0001396100000000, 0.0000132500000000, -0.0000975900000000 ] - [ -0.0005286900000000, 0.0002949900000000, 0.0003176700000000 ] - [ 0.0001420100000000, -0.0000060600000000, 0.0000981800000000 ] - [ -0.0007027800000000, -0.0002517500000000, 0.0007185500000000 ] - [ -0.0000631000000000, -0.0003443100000000, 0.0011458900000000 ] - [ 0.0001704600000000, 0.0006182100000000, 0.0003000100000000 ] - [ 0.0003416600000000, 0.0000573200000000, -0.0002009800000000 ] - [ 0.0004416700000000, -0.0006233000000000, -0.0003520500000000 ] - [ 0.0002530000000000, -0.0001686800000000, -0.0001258200000000 ] - [ -0.0000052000000000, 0.0002665000000000, -0.0001184400000000 ] - [ -0.0004008800000000, 0.0002602900000000, -0.0003266000000000 ] - [ -0.0001280200000000, 0.0000892600000000, 0.0000114400000000 ] - [ 0.0074002100000000, 0.0025740600000000, 0.0008348500000000 ] - [ 0.0034535500000000, 0.0015514200000000, 0.0023803300000000 ] - [ -0.0002246200000000, 0.0004329900000000, -0.0000582900000000 ] - [ 0.0001293800000000, 0.0000689700000000, -0.0006574100000000 ] - [ 0.0013009200000000, 0.0014938000000000, -0.0008243600000000 ] - [ -0.0000564000000000, 0.0001107400000000, 0.0000100400000000 ] - [ 0.0003058300000000, -0.0002567800000000, 0.0000204400000000 ] - [ -0.0004495200000000, 0.0009768600000000, 0.0004939300000000 ] - [ 0.0000347200000000, 0.0008805400000000, -0.0000600000000000 ] - [ -0.0002034900000000, -0.0006140600000000, 0.0007310300000000 ] - [ -0.0000023700000000, 0.0000211600000000, 0.0003097500000000 ] - [ 0.0001703300000000, -0.0003111000000000, -0.0001309400000000 ] - [ -0.0000842800000000, 0.0000486900000000, -0.0001493200000000 ] - [ 0.0002059300000000, -0.0001339500000000, 0.0002311700000000 ] - [ -0.0000602500000000, 0.0004808200000000, 0.0002370000000000 ] - [ -0.0001736800000000, -0.0000110600000000, 0.0002418700000000 ] - [ -0.0000800300000000, 0.0002125100000000, 0.0003443600000000 ] - [ -0.0001938800000000, -0.0004108600000000, 0.0001546700000000 ] - [ 0.0005057700000000, -0.0001107900000000, 0.0000465800000000 ] - [ 0.0001158600000000, -0.0007063100000000, -0.0002933900000000 ] - [ 0.0000501700000000, -0.0000251400000000, -0.0001467000000000 ] - [ -0.0000816600000000, -0.0000573400000000, 0.0002115300000000 ] - [ -0.0002239300000000, -0.0001290600000000, -0.0000009100000000 ] - [ 0.0000450600000000, -0.0000920300000000, -0.0000179200000000 ] - [ -0.0000153600000000, -0.0005174300000000, 0.0003250100000000 ] - [ 0.0000102200000000, -0.0002454800000000, -0.0000392200000000 ] - [ 0.0000693500000000, 0.0000691300000000, -0.0000290800000000 ] - [ -0.0003788200000000, -0.0002092600000000, -0.0002655200000000 ] - [ 0.0002117700000000, -0.0002017000000000, -0.0000659600000000 ] - [ 0.0001271700000000, 0.0001099800000000, 0.0000430600000000 ] - [ -0.0002812900000000, 0.0001387800000000, -0.0002461900000000 ] - [ 0.0000535700000000, -0.0000993700000000, 0.0000025700000000 ] - [ -0.0001198200000000, -0.0000581800000000, -0.0001502600000000 ] - [ 0.0003153500000000, 0.0001045700000000, -0.0001941600000000 ] - [ -0.0002453600000000, 0.0002996000000000, 0.0001545200000000 ] - [ 0.0001868600000000, -0.0000144200000000, -0.0000416800000000 ] - [ 0.0004137400000000, 0.0001415800000000, 0.0000112200000000 ] - [ 0.0001132400000000, 0.0001719700000000, -0.0000563300000000 ] - [ 0.0001685900000000, -0.0006246800000000, 0.0000163700000000 ] - [ -0.0001485300000000, 0.0003704200000000, 0.0002287600000000 ] - [ 0.0000184600000000, 0.0002272200000000, 0.0000267500000000 ] - [ -0.0000519900000000, -0.0002970400000000, 0.0003791600000000 ] - [ 0.0002409900000000, 0.0000055600000000, 0.0001561500000000 ]- atom: 2 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ 0.0003280900000000, 0.0001213800000000, 0.0003570000000000 ] - [ 0.0126581100000000, 0.0053308500000000, 0.0008452800000000 ] - [ -0.0014385300000000, -0.0000655100000000, -0.0000557300000000 ] - [ -0.0002244000000000, 0.0001568100000000, -0.0002057300000000 ] - [ -0.0001911400000000, 0.0001417700000000, 0.0000348000000000 ] - [ -0.0002827800000000, 0.0002891500000000, -0.0001587700000000 ] - [ 0.0000021800000000, -0.0000473300000000, -0.0001678700000000 ] - [ 0.0001098100000000, 0.0001443500000000, 0.0003594900000000 ] - [ -0.0001945500000000, -0.0002082500000000, 0.0001607600000000 ] - [ -0.0000760500000000, -0.0002216200000000, -0.0000507900000000 ] - [ 0.0000272800000000, -0.0001920000000000, 0.0001355000000000 ] - [ -0.0000179000000000, 0.0001340700000000, -0.0000781800000000 ] - [ -0.0000900100000000, 0.0001572800000000, 0.0001997100000000 ] - [ 0.0000556200000000, 0.0000767900000000, -0.0002017500000000 ] - [ -0.0000380400000000, 0.0000098000000000, -0.0001850500000000 ] - [ -0.0000330100000000, 0.0000839700000000, 0.0000554000000000 ] - [ -0.0007582600000000, -0.0002260300000000, -0.0001165400000000 ] - [ -0.0006877500000000, 0.0001139200000000, -0.0001451300000000 ] - [ 0.0003307500000000, -0.0005689500000000, 0.0002776800000000 ] - [ 0.0010386800000000, -0.0009481900000000, -0.0000599700000000 ] - [ 0.0002863100000000, -0.0000924900000000, -0.0001671600000000 ] - [ 0.0000682800000000, 0.0000676900000000, 0.0001258400000000 ] - [ 0.0000651700000000, -0.0001999100000000, -0.0001963900000000 ] - [ -0.0001381500000000, -0.0004136500000000, 0.0001321100000000 ] - [ -0.0002830900000000, -0.0024553800000000, 0.0007652600000000 ] - [ -0.0003289700000000, -0.0001113500000000, -0.0006487000000000 ] - [ -0.0015099500000000, -0.0013015100000000, 0.0019783100000000 ] - [ 0.0001091300000000, 0.0007276800000000, -0.0002614700000000 ] - [ -0.0016307600000000, 0.0005068200000000, -0.0004744000000000 ] - [ -0.0004620600000000, 0.0006634200000000, -0.0001077800000000 ] - [ 0.0013793800000000, 0.0008726900000000, -0.0003962400000000 ] - [ 0.0001319900000000, 0.0025386500000000, 0.0013122100000000 ] - [ -0.0001044700000000, -0.0008749900000000, -0.0001254500000000 ] - [ -0.0001840000000000, -0.0000664600000000, 0.0002607000000000 ] - [ -0.0000445400000000, -0.0002124000000000, -0.0003802800000000 ] - [ 0.0004109400000000, -0.0002473300000000, 0.0001231900000000 ] - [ -0.0000606500000000, 0.0000866000000000, -0.0004176900000000 ] - [ -0.0004597900000000, 0.0006705700000000, 0.0000441000000000 ] - [ -0.0003153900000000, 0.0003151100000000, -0.0001841000000000 ] - [ 0.0003735600000000, 0.0001528700000000, -0.0001641500000000 ] - [ 0.0002096800000000, 0.0004504300000000, -0.0002933800000000 ] - [ 0.0004516300000000, 0.0000239300000000, -0.0003931500000000 ] - [ 0.0002463700000000, 0.0004493200000000, 0.0001234300000000 ] - [ 0.0000393800000000, 0.0004520100000000, 0.0003329600000000 ] - [ -0.0004960300000000, -0.0002037900000000, 0.0002772200000000 ] - [ 0.0007694200000000, 0.0002094500000000, 0.0005329600000000 ] - [ -0.0002459400000000, -0.0004801500000000, 0.0000944400000000 ] - [ 0.0006261100000000, -0.0002527900000000, 0.0001144600000000 ] - [ 0.0000086300000000, -0.0001679800000000, -0.0001946300000000 ] - [ -0.0000015800000000, 0.0000374500000000, -0.0001734500000000 ] - [ 0.0002121300000000, -0.0003329300000000, 0.0001753600000000 ] - [ -0.0005719000000000, -0.0002610400000000, -0.0000677000000000 ] - [ 0.0008053300000000, 0.0003230100000000, -0.0007214700000000 ] - [ 0.0000621400000000, -0.0005384000000000, -0.0004988500000000 ] - [ -0.0001772300000000, -0.0011316400000000, -0.0002924100000000 ] - [ 0.0000153500000000, -0.0000453700000000, 0.0001092400000000 ] - [ -0.0010374200000000, 0.0002952600000000, -0.0001442800000000 ] - [ 0.0002103700000000, -0.0002629300000000, -0.0001045700000000 ] - [ 0.0002974300000000, 0.0000718000000000, 0.0001739100000000 ] - [ -0.0001966200000000, 0.0000575700000000, -0.0001630500000000 ] - [ 0.0002190800000000, -0.0001647200000000, -0.0000124900000000 ] - [ -0.0073563100000000, -0.0025456500000000, -0.0011382800000000 ] - [ -0.0030550500000000, -0.0011991500000000, -0.0026794600000000 ] - [ -0.0002084500000000, -0.0001666700000000, 0.0000884800000000 ] - [ 0.0002327600000000, -0.0000822000000000, 0.0005643800000000 ] - [ -0.0004357400000000, -0.0011889400000000, 0.0008718200000000 ] - [ 0.0002427800000000, 0.0002789400000000, -0.0001302400000000 ] - [ -0.0000119600000000, -0.0000808000000000, 0.0000359000000000 ] - [ 0.0000984500000000, -0.0001653500000000, -0.0001584000000000 ] - [ -0.0000209900000000, -0.0003583200000000, 0.0000923300000000 ] - [ 0.0000419500000000, 0.0001474100000000, -0.0000273400000000 ] - [ 0.0004748200000000, 0.0000492400000000, 0.0000389100000000 ] - [ -0.0000310200000000, 0.0002594900000000, -0.0001406800000000 ] - [ -0.0001175800000000, 0.0000364800000000, -0.0001660100000000 ] - [ 0.0002661100000000, 0.0000632100000000, 0.0001176000000000 ] - [ 0.0000607700000000, 0.0004017800000000, 0.0004094800000000 ] - [ -0.0001419100000000, 0.0000473400000000, 0.0002507400000000 ] - [ -0.0000832200000000, 0.0002542100000000, 0.0003578000000000 ] - [ -0.0001603100000000, -0.0004018300000000, 0.0001803600000000 ] - [ 0.0003496100000000, -0.0001916400000000, -0.0000006900000000 ] - [ 0.0000713800000000, 0.0003175500000000, 0.0001744200000000 ] - [ 0.0000892500000000, 0.0000765600000000, -0.0001249900000000 ] - [ -0.0002336500000000, 0.0000209200000000, 0.0002810500000000 ] - [ -0.0002089500000000, -0.0001376300000000, 0.0000314300000000 ] - [ 0.0000455300000000, 0.0001664900000000, 0.0000168500000000 ] - [ 0.0000165100000000, -0.0003657400000000, 0.0003222600000000 ] - [ 0.0000058600000000, -0.0002771700000000, 0.0000665600000000 ] - [ 0.0002877800000000, -0.0000563400000000, -0.0000619100000000 ] - [ -0.0002208700000000, -0.0001105400000000, -0.0002256200000000 ] - [ 0.0002509700000000, -0.0002289400000000, -0.0001650200000000 ] - [ 0.0001658900000000, 0.0002280800000000, 0.0000129700000000 ] - [ -0.0003182000000000, 0.0001809000000000, -0.0002449000000000 ] - [ 0.0000370100000000, 0.0000248400000000, -0.0000034800000000 ] - [ -0.0000820700000000, -0.0000271900000000, -0.0001649400000000 ] - [ 0.0001482100000000, 0.0003259400000000, -0.0000359600000000 ] - [ -0.0001868900000000, -0.0000323100000000, -0.0001234000000000 ] - [ 0.0001703700000000, 0.0000019100000000, -0.0000493800000000 ] - [ 0.0004411500000000, 0.0001608300000000, 0.0000344300000000 ] - [ 0.0000734200000000, 0.0002172100000000, -0.0000628200000000 ] - [ 0.0001237700000000, 0.0002865400000000, 0.0000398900000000 ] - [ -0.0002055900000000, 0.0004419900000000, 0.0001064400000000 ] - [ -0.0000027100000000, 0.0002960100000000, 0.0000008700000000 ] - [ -0.0001114200000000, -0.0001698400000000, 0.0003231200000000 ] - [ 0.0002311600000000, 0.0000650200000000, 0.0001928600000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004031300000000, 0.0002998700000000, 0.0010086400000000 ] - [ -0.0055066800000000, -0.0138819400000000, 0.0007751900000000 ] - [ 0.0001014500000000, -0.0007596500000000, 0.0001863200000000 ] - [ -0.0000361600000000, 0.0000315500000000, -0.0002946800000000 ] - [ -0.0000770900000000, 0.0002292400000000, 0.0002619300000000 ] - [ 0.0001365100000000, 0.0000351300000000, -0.0001637600000000 ] - [ -0.0001221100000000, 0.0001127800000000, 0.0000853400000000 ] - [ -0.0000016000000000, 0.0000348600000000, -0.0000543800000000 ] - [ -0.0000713500000000, 0.0000198100000000, 0.0000984800000000 ] - [ 0.0000280400000000, 0.0000066100000000, -0.0000726500000000 ] - [ -0.0000766800000000, 0.0000381900000000, 0.0001078700000000 ] - [ -0.0000596100000000, 0.0002921800000000, -0.0000254200000000 ] - [ -0.0000936200000000, 0.0003977100000000, 0.0000914300000000 ] - [ -0.0000329600000000, 0.0002909600000000, -0.0002770800000000 ] - [ -0.0000103200000000, 0.0000483600000000, -0.0001912600000000 ] - [ 0.0000077600000000, 0.0002821200000000, 0.0001934600000000 ] - [ -0.0000700000000000, 0.0002753600000000, -0.0005417400000000 ] - [ -0.0003923600000000, -0.0006012900000000, -0.0004912100000000 ] - [ 0.0010283500000000, -0.0012048900000000, -0.0010606400000000 ] - [ 0.0011480000000000, 0.0009553000000000, -0.0010342600000000 ] - [ -0.0001091100000000, 0.0007505400000000, -0.0000914800000000 ] - [ 0.0000024300000000, 0.0004957200000000, 0.0001706200000000 ] - [ 0.0001382500000000, 0.0001974800000000, -0.0001176000000000 ] - [ 0.0001506800000000, 0.0002697500000000, 0.0001237200000000 ] - [ -0.0001399400000000, 0.0008632200000000, -0.0002464600000000 ] - [ -0.0001506700000000, 0.0004411100000000, -0.0001482300000000 ] - [ 0.0010922600000000, -0.0025552800000000, -0.0006431800000000 ] - [ 0.0003424800000000, -0.0016539900000000, 0.0002010600000000 ] - [ -0.0001763100000000, 0.0002833400000000, -0.0007110500000000 ] - [ -0.0003765500000000, 0.0008207100000000, -0.0000238700000000 ] - [ -0.0015556000000000, 0.0005097300000000, -0.0013855700000000 ] - [ -0.0019939400000000, 0.0003320500000000, -0.0013194300000000 ] - [ -0.0002533800000000, -0.0005310300000000, -0.0002393400000000 ] - [ -0.0002573700000000, -0.0001646500000000, -0.0002408900000000 ] - [ -0.0000869400000000, 0.0001438200000000, -0.0004265500000000 ] - [ 0.0003473200000000, -0.0000128400000000, -0.0000887600000000 ] - [ -0.0000791100000000, 0.0003227200000000, -0.0003301500000000 ] - [ -0.0004438100000000, 0.0009476100000000, 0.0000394100000000 ] - [ -0.0002201300000000, 0.0004205200000000, -0.0000748200000000 ] - [ 0.0003778000000000, 0.0004460100000000, 0.0003956700000000 ] - [ 0.0001657700000000, -0.0002471400000000, -0.0001158100000000 ] - [ -0.0000929200000000, -0.0000185700000000, -0.0002745700000000 ] - [ -0.0001389500000000, 0.0007273500000000, -0.0000660300000000 ] - [ 0.0000179900000000, 0.0004497800000000, 0.0004672200000000 ] - [ -0.0000248300000000, 0.0004689000000000, 0.0004651200000000 ] - [ -0.0002694900000000, 0.0003460300000000, 0.0005160300000000 ] - [ -0.0000534100000000, -0.0004506300000000, 0.0001369200000000 ] - [ 0.0007584600000000, -0.0003666200000000, 0.0002192200000000 ] - [ 0.0001594000000000, -0.0000804500000000, -0.0000517200000000 ] - [ -0.0001430900000000, -0.0000930700000000, 0.0000894100000000 ] - [ 0.0002878600000000, -0.0000929400000000, 0.0004610300000000 ] - [ 0.0000914900000000, -0.0002944700000000, 0.0005341900000000 ] - [ 0.0004282400000000, 0.0013374800000000, -0.0001465400000000 ] - [ -0.0001062300000000, -0.0002798500000000, 0.0006914100000000 ] - [ 0.0003088100000000, -0.0000605300000000, 0.0005117200000000 ] - [ 0.0002115300000000, -0.0002236700000000, 0.0002696000000000 ] - [ -0.0008330100000000, 0.0055656900000000, 0.0010637900000000 ] - [ 0.0002047100000000, -0.0004558500000000, -0.0001502000000000 ] - [ 0.0001605000000000, 0.0000582900000000, 0.0001035100000000 ] - [ -0.0003699600000000, 0.0006292400000000, -0.0001330800000000 ] - [ 0.0000343700000000, 0.0002755400000000, -0.0000097600000000 ] - [ 0.0022988300000000, 0.0003217900000000, 0.0001794000000000 ] - [ 0.0020565600000000, 0.0004210600000000, 0.0013233600000000 ] - [ -0.0001733900000000, -0.0002359500000000, 0.0000421200000000 ] - [ 0.0006104900000000, 0.0002686100000000, 0.0006495100000000 ] - [ 0.0017324000000000, 0.0039684700000000, -0.0022385800000000 ] - [ 0.0000032000000000, 0.0002453600000000, 0.0000742800000000 ] - [ -0.0000436300000000, -0.0004389100000000, 0.0000148900000000 ] - [ -0.0002610700000000, 0.0010204900000000, 0.0003918300000000 ] - [ 0.0003254500000000, 0.0015811300000000, 0.0002123000000000 ] - [ -0.0003430300000000, 0.0003920600000000, 0.0005401700000000 ] - [ 0.0004302600000000, 0.0002863100000000, 0.0003097800000000 ] - [ -0.0000848400000000, -0.0004655600000000, -0.0002084000000000 ] - [ -0.0000739700000000, 0.0000627300000000, -0.0001849000000000 ] - [ 0.0002576400000000, -0.0002784000000000, 0.0002030300000000 ] - [ 0.0000103500000000, 0.0005027300000000, 0.0002344100000000 ] - [ -0.0001803500000000, -0.0000872000000000, 0.0002516300000000 ] - [ -0.0000508200000000, 0.0000679100000000, 0.0003405900000000 ] - [ -0.0002149000000000, -0.0004592900000000, 0.0001455200000000 ] - [ 0.0004777900000000, -0.0002598000000000, 0.0000066300000000 ] - [ 0.0000998100000000, -0.0005137800000000, -0.0001863200000000 ] - [ 0.0000398100000000, -0.0001110800000000, -0.0001940200000000 ] - [ -0.0000855300000000, -0.0001614600000000, 0.0002139400000000 ] - [ -0.0001965700000000, -0.0002755000000000, 0.0000016500000000 ] - [ 0.0000563600000000, -0.0001030800000000, -0.0000618300000000 ] - [ -0.0000344800000000, -0.0004748900000000, 0.0002954100000000 ] - [ 0.0000173300000000, -0.0004972100000000, -0.0001349900000000 ] - [ 0.0001826300000000, -0.0000848800000000, -0.0000547000000000 ] - [ -0.0003415200000000, -0.0002917900000000, -0.0002615400000000 ] - [ 0.0002637300000000, -0.0002268600000000, -0.0001317300000000 ] - [ 0.0001309300000000, 0.0000908800000000, 0.0000210400000000 ] - [ -0.0002817700000000, 0.0000728500000000, -0.0002405200000000 ] - [ 0.0000541900000000, -0.0002162200000000, 0.0000290000000000 ] - [ -0.0001873000000000, -0.0001130700000000, -0.0000855600000000 ] - [ 0.0001300300000000, 0.0000565600000000, -0.0001268400000000 ] - [ -0.0002722000000000, -0.0000052700000000, -0.0000064100000000 ] - [ 0.0001702100000000, -0.0001043300000000, -0.0000742800000000 ] - [ 0.0004203900000000, 0.0000714800000000, 0.0000139400000000 ] - [ 0.0000668800000000, 0.0001753700000000, -0.0001351300000000 ] - [ 0.0000357800000000, -0.0004491500000000, 0.0000151800000000 ] - [ -0.0000704500000000, 0.0003458900000000, 0.0001852400000000 ] - [ 0.0000148400000000, 0.0000692000000000, 0.0001086100000000 ] - [ -0.0000999800000000, -0.0004509800000000, 0.0003534800000000 ] - [ 0.0002078300000000, -0.0001395100000000, 0.0001426900000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001940200000000, -0.0006480800000000, -0.0007294700000000 ] - [ 0.0055422400000000, 0.0134184800000000, -0.0009469600000000 ] - [ -0.0001362200000000, 0.0004852800000000, 0.0000655200000000 ] - [ -0.0000303300000000, 0.0002894300000000, 0.0001713300000000 ] - [ -0.0001334400000000, 0.0001170300000000, 0.0000245300000000 ] - [ -0.0001460900000000, 0.0001571800000000, -0.0002342800000000 ] - [ 0.0001126300000000, -0.0003042500000000, -0.0004842600000000 ] - [ -0.0000344300000000, 0.0002393700000000, 0.0003059900000000 ] - [ -0.0001392300000000, -0.0003662600000000, 0.0001880100000000 ] - [ -0.0000941900000000, -0.0003279900000000, -0.0000501100000000 ] - [ 0.0000406100000000, -0.0003127600000000, 0.0001436800000000 ] - [ -0.0000063900000000, 0.0000290500000000, -0.0000975200000000 ] - [ -0.0001167800000000, -0.0000507300000000, 0.0001957700000000 ] - [ 0.0000233000000000, -0.0000992900000000, -0.0001212300000000 ] - [ 0.0000007500000000, -0.0002401100000000, -0.0002066400000000 ] - [ -0.0000438800000000, -0.0000076500000000, 0.0000579600000000 ] - [ 0.0002406900000000, -0.0000293000000000, 0.0001895400000000 ] - [ 0.0004638600000000, 0.0009474600000000, 0.0007425200000000 ] - [ -0.0008582800000000, 0.0009608000000000, 0.0007106100000000 ] - [ -0.0010718900000000, -0.0012941800000000, 0.0012756500000000 ] - [ 0.0002817600000000, -0.0005081000000000, -0.0002614600000000 ] - [ 0.0000674700000000, -0.0001513100000000, 0.0000787900000000 ] - [ 0.0000332100000000, -0.0004423600000000, -0.0002334500000000 ] - [ -0.0000814100000000, -0.0006152400000000, 0.0001256000000000 ] - [ -0.0007068400000000, -0.0022385000000000, 0.0000692600000000 ] - [ -0.0003538700000000, -0.0010482800000000, -0.0001164000000000 ] - [ -0.0012410900000000, 0.0023389000000000, -0.0001499500000000 ] - [ 0.0004160000000000, 0.0012587800000000, -0.0000533900000000 ] - [ 0.0000358800000000, -0.0000723100000000, -0.0000898500000000 ] - [ -0.0004581400000000, 0.0005649400000000, -0.0001438500000000 ] - [ 0.0010468900000000, 0.0000981100000000, 0.0011222100000000 ] - [ 0.0027431300000000, 0.0000713400000000, 0.0014653900000000 ] - [ -0.0005800800000000, -0.0008540900000000, 0.0000714200000000 ] - [ -0.0002482100000000, -0.0004490900000000, -0.0000243100000000 ] - [ -0.0000566300000000, -0.0003573200000000, -0.0003761400000000 ] - [ 0.0004125400000000, -0.0003910600000000, 0.0002406300000000 ] - [ -0.0000644200000000, -0.0001088800000000, -0.0004719700000000 ] - [ -0.0003900000000000, 0.0004373100000000, -0.0002062400000000 ] - [ -0.0002857600000000, 0.0001922300000000, -0.0001894300000000 ] - [ 0.0003830800000000, -0.0000425200000000, -0.0002440000000000 ] - [ -0.0000247400000000, 0.0001975700000000, -0.0001557600000000 ] - [ -0.0001094300000000, 0.0001044400000000, -0.0000390300000000 ] - [ 0.0006156400000000, -0.0007891800000000, 0.0004016000000000 ] - [ -0.0000176200000000, 0.0004324100000000, 0.0001796900000000 ] - [ -0.0002921100000000, -0.0004344000000000, 0.0000278700000000 ] - [ 0.0001049700000000, 0.0001208000000000, 0.0001846200000000 ] - [ -0.0003004500000000, -0.0003630700000000, 0.0001986300000000 ] - [ 0.0000976500000000, 0.0000639500000000, -0.0001733800000000 ] - [ 0.0000261300000000, -0.0003098700000000, -0.0000680200000000 ] - [ 0.0002834100000000, 0.0001436500000000, -0.0003604600000000 ] - [ -0.0006022600000000, 0.0000569800000000, 0.0000346900000000 ] - [ -0.0005226400000000, 0.0000250500000000, -0.0005024300000000 ] - [ -0.0003308700000000, -0.0012662500000000, 0.0001412700000000 ] - [ 0.0001066300000000, -0.0006033400000000, -0.0000424700000000 ] - [ -0.0002937200000000, -0.0004588800000000, -0.0004829200000000 ] - [ 0.0001465400000000, 0.0002352900000000, -0.0003596900000000 ] - [ 0.0001792700000000, -0.0056434800000000, -0.0015472200000000 ] - [ 0.0002583400000000, 0.0000234800000000, -0.0000803200000000 ] - [ 0.0001306100000000, 0.0002784600000000, -0.0000483500000000 ] - [ -0.0002290200000000, -0.0003111400000000, -0.0003577500000000 ] - [ 0.0000557100000000, -0.0003492500000000, 0.0000087700000000 ] - [ -0.0024764200000000, -0.0004152900000000, -0.0004950200000000 ] - [ -0.0016387700000000, -0.0000191500000000, -0.0015872300000000 ] - [ -0.0002605100000000, 0.0005043200000000, -0.0000127200000000 ] - [ -0.0002534100000000, -0.0002841200000000, -0.0007425200000000 ] - [ -0.0009061700000000, -0.0037478800000000, 0.0023851800000000 ] - [ 0.0001833400000000, 0.0001447100000000, -0.0001941700000000 ] - [ 0.0003350000000000, 0.0001018600000000, 0.0000409800000000 ] - [ -0.0000911500000000, -0.0002057900000000, -0.0000558000000000 ] - [ -0.0003078300000000, -0.0010599400000000, -0.0001763500000000 ] - [ 0.0001802100000000, -0.0008596400000000, 0.0001615500000000 ] - [ 0.0000407300000000, -0.0002154800000000, 0.0000387200000000 ] - [ 0.0002288500000000, 0.0004187900000000, -0.0000600400000000 ] - [ -0.0001277500000000, 0.0000232100000000, -0.0001301600000000 ] - [ 0.0002138200000000, 0.0002071500000000, 0.0001459200000000 ] - [ -0.0000102500000000, 0.0003798300000000, 0.0004126900000000 ] - [ -0.0001354700000000, 0.0001232400000000, 0.0002421200000000 ] - [ -0.0001120000000000, 0.0003997900000000, 0.0003617200000000 ] - [ -0.0001388400000000, -0.0003544200000000, 0.0001901100000000 ] - [ 0.0003769500000000, -0.0000419100000000, 0.0000388200000000 ] - [ 0.0000875600000000, 0.0001226600000000, 0.0000666600000000 ] - [ 0.0001005600000000, 0.0001617000000000, -0.0000771300000000 ] - [ -0.0002305800000000, 0.0001256800000000, 0.0002798200000000 ] - [ -0.0002364300000000, 0.0000077500000000, 0.0000287000000000 ] - [ 0.0000339700000000, 0.0001772800000000, 0.0000613100000000 ] - [ 0.0000355200000000, -0.0004070000000000, 0.0003514800000000 ] - [ -0.0000017000000000, -0.0000271300000000, 0.0001624500000000 ] - [ 0.0001739700000000, 0.0000982700000000, -0.0000371200000000 ] - [ -0.0002586400000000, -0.0000282000000000, -0.0002288000000000 ] - [ 0.0001990300000000, -0.0002040400000000, -0.0000988000000000 ] - [ 0.0001611400000000, 0.0002461300000000, 0.0000345400000000 ] - [ -0.0003178400000000, 0.0002469900000000, -0.0002498100000000 ] - [ 0.0000361400000000, 0.0001422400000000, -0.0000298000000000 ] - [ -0.0000132600000000, 0.0000277800000000, -0.0002295900000000 ] - [ 0.0003324900000000, 0.0003739400000000, -0.0001029600000000 ] - [ -0.0001605800000000, 0.0002742400000000, 0.0000377400000000 ] - [ 0.0001870000000000, 0.0000912500000000, -0.0000177100000000 ] - [ 0.0004345200000000, 0.0002305500000000, 0.0000310000000000 ] - [ 0.0001195500000000, 0.0002150200000000, 0.0000152700000000 ] - [ 0.0002572600000000, 0.0001093200000000, 0.0000406800000000 ] - [ -0.0002840600000000, 0.0004674500000000, 0.0001509700000000 ] - [ 0.0000005700000000, 0.0004558000000000, -0.0000809600000000 ] - [ -0.0000628800000000, -0.0000168000000000, 0.0003491800000000 ] - [ 0.0002638300000000, 0.0002106300000000, 0.0002062300000000 ]- atom: 2 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0001438900000000, 0.0007298200000000, 0.0009416400000000 ] - [ 0.0033623800000000, 0.0025034400000000, -0.0062057300000000 ] - [ -0.0005196100000000, -0.0000735600000000, -0.0004078300000000 ] - [ 0.0000393600000000, 0.0003800400000000, 0.0002766700000000 ] - [ -0.0001425200000000, 0.0001942300000000, -0.0000153800000000 ] - [ -0.0001037300000000, 0.0001870500000000, 0.0001872500000000 ] - [ 0.0000174100000000, -0.0000712900000000, -0.0003446400000000 ] - [ -0.0001207500000000, 0.0003686000000000, 0.0006757100000000 ] - [ -0.0001442600000000, -0.0002447800000000, 0.0001934900000000 ] - [ -0.0000570500000000, -0.0001912200000000, -0.0000989300000000 ] - [ 0.0000083300000000, -0.0001692000000000, 0.0000897900000000 ] - [ -0.0000123800000000, 0.0001177400000000, -0.0000069700000000 ] - [ -0.0001481800000000, -0.0000903100000000, 0.0000590600000000 ] - [ 0.0000190100000000, 0.0000239600000000, -0.0001375100000000 ] - [ 0.0000123200000000, -0.0002479200000000, -0.0003381600000000 ] - [ -0.0000383500000000, 0.0000888300000000, 0.0001681000000000 ] - [ -0.0001460900000000, -0.0002362600000000, -0.0003040800000000 ] - [ 0.0004206100000000, 0.0001867900000000, 0.0003389300000000 ] - [ -0.0007465300000000, -0.0004596500000000, 0.0007401700000000 ] - [ 0.0005037000000000, -0.0014585000000000, -0.0002768300000000 ] - [ 0.0001128000000000, 0.0001147400000000, -0.0001206400000000 ] - [ 0.0000493400000000, 0.0001109600000000, 0.0001156100000000 ] - [ 0.0000735400000000, -0.0001621300000000, -0.0002047700000000 ] - [ -0.0000270000000000, -0.0000805000000000, 0.0002145300000000 ] - [ -0.0007088400000000, 0.0000849500000000, 0.0000398900000000 ] - [ -0.0001952500000000, -0.0003878100000000, -0.0002087900000000 ] - [ -0.0028095700000000, -0.0008272600000000, -0.0003270200000000 ] - [ 0.0000982300000000, -0.0019044800000000, 0.0012051300000000 ] - [ -0.0016648600000000, 0.0009040600000000, 0.0000398800000000 ] - [ -0.0004706700000000, 0.0008336300000000, -0.0000646000000000 ] - [ 0.0012726700000000, -0.0001704900000000, 0.0008517000000000 ] - [ 0.0001568100000000, -0.0008368600000000, -0.0008766700000000 ] - [ -0.0002600600000000, -0.0007695100000000, -0.0002230500000000 ] - [ -0.0002214100000000, -0.0001347400000000, 0.0002009300000000 ] - [ -0.0000773400000000, -0.0001629500000000, -0.0003784000000000 ] - [ 0.0004036400000000, -0.0002591800000000, 0.0001980300000000 ] - [ -0.0000672700000000, -0.0000033000000000, -0.0004161500000000 ] - [ -0.0005093800000000, 0.0005699300000000, -0.0001368900000000 ] - [ -0.0002802600000000, 0.0003252700000000, -0.0002776400000000 ] - [ 0.0003964500000000, 0.0001679000000000, -0.0000507400000000 ] - [ 0.0000920600000000, 0.0001404400000000, -0.0001615600000000 ] - [ 0.0004451800000000, -0.0000231900000000, -0.0004192400000000 ] - [ 0.0004934700000000, 0.0002140800000000, 0.0013458600000000 ] - [ 0.0000218300000000, 0.0004281400000000, 0.0001199400000000 ] - [ 0.0000362300000000, 0.0002092200000000, -0.0001755700000000 ] - [ 0.0005228000000000, 0.0000753600000000, 0.0007348100000000 ] - [ -0.0002626600000000, -0.0003826400000000, -0.0000077600000000 ] - [ 0.0004664800000000, -0.0000488200000000, 0.0000800500000000 ] - [ -0.0001333400000000, -0.0003207100000000, -0.0000793400000000 ] - [ 0.0002169400000000, 0.0001559100000000, -0.0002399900000000 ] - [ -0.0002150300000000, 0.0000944800000000, 0.0004874400000000 ] - [ -0.0005555200000000, 0.0003156900000000, -0.0004423200000000 ] - [ 0.0011100500000000, 0.0002156200000000, -0.0002017100000000 ] - [ 0.0000029600000000, -0.0004557800000000, 0.0006024800000000 ] - [ 0.0000676200000000, 0.0002608600000000, 0.0008106500000000 ] - [ 0.0001206600000000, 0.0001077600000000, 0.0000097800000000 ] - [ -0.0004747200000000, 0.0008867600000000, 0.0002107100000000 ] - [ 0.0002228900000000, 0.0000192600000000, -0.0001585200000000 ] - [ 0.0001962900000000, 0.0002948800000000, -0.0000914600000000 ] - [ -0.0008315700000000, 0.0005266200000000, -0.0007176800000000 ] - [ 0.0002371200000000, -0.0003838700000000, -0.0000742200000000 ] - [ -0.0017056600000000, -0.0005961300000000, -0.0007319200000000 ] - [ 0.0017116200000000, 0.0008856500000000, 0.0008266500000000 ] - [ -0.0002095800000000, 0.0002983700000000, 0.0000684200000000 ] - [ -0.0002909500000000, 0.0001125200000000, -0.0003026400000000 ] - [ -0.0007984600000000, -0.0029239300000000, 0.0019083700000000 ] - [ 0.0001832800000000, 0.0001645800000000, -0.0000984600000000 ] - [ 0.0000223000000000, -0.0001278600000000, 0.0001010800000000 ] - [ -0.0000748600000000, 0.0004254100000000, 0.0003693800000000 ] - [ 0.0002827600000000, 0.0011587800000000, -0.0003923600000000 ] - [ 0.0004095200000000, -0.0001472400000000, 0.0006245400000000 ] - [ 0.0005077500000000, -0.0000684400000000, -0.0000155500000000 ] - [ 0.0000495500000000, -0.0002242600000000, -0.0002000400000000 ] - [ -0.0000948700000000, 0.0000337100000000, -0.0001212200000000 ] - [ 0.0002189100000000, 0.0000172800000000, 0.0001789700000000 ] - [ 0.0000987000000000, 0.0004504000000000, 0.0001536600000000 ] - [ -0.0001570700000000, 0.0000331300000000, 0.0002394200000000 ] - [ -0.0001077100000000, 0.0003196000000000, 0.0003431000000000 ] - [ -0.0001709800000000, -0.0003657700000000, 0.0001477000000000 ] - [ 0.0003906000000000, -0.0002023300000000, -0.0000147000000000 ] - [ 0.0000888100000000, -0.0002411300000000, -0.0001325600000000 ] - [ 0.0000476500000000, -0.0000788600000000, -0.0000982700000000 ] - [ -0.0001823500000000, -0.0000145600000000, 0.0002595100000000 ] - [ -0.0002083000000000, -0.0001655400000000, 0.0001001700000000 ] - [ 0.0000499500000000, 0.0000369100000000, -0.0000037900000000 ] - [ 0.0001320200000000, -0.0002632700000000, 0.0003797900000000 ] - [ 0.0000052600000000, -0.0002752100000000, 0.0000433900000000 ] - [ 0.0001864300000000, -0.0000273300000000, -0.0001358100000000 ] - [ -0.0003204900000000, -0.0001995700000000, -0.0002183600000000 ] - [ 0.0002189400000000, -0.0001045800000000, -0.0001550000000000 ] - [ 0.0001774200000000, 0.0000693100000000, 0.0000391300000000 ] - [ -0.0003087800000000, 0.0001677800000000, -0.0002624800000000 ] - [ 0.0000356400000000, -0.0000475000000000, -0.0000180500000000 ] - [ -0.0001125600000000, -0.0000832900000000, -0.0001668800000000 ] - [ 0.0001952100000000, 0.0003341000000000, 0.0000071600000000 ] - [ -0.0002181700000000, -0.0000097900000000, -0.0001591400000000 ] - [ 0.0001774800000000, 0.0000116800000000, -0.0000187400000000 ] - [ 0.0004299600000000, 0.0001631900000000, 0.0000428200000000 ] - [ 0.0000933900000000, 0.0001297200000000, 0.0000096700000000 ] - [ 0.0000687000000000, -0.0006076800000000, -0.0000025100000000 ] - [ -0.0001335200000000, 0.0004270300000000, 0.0001894900000000 ] - [ 0.0000055800000000, 0.0003161800000000, -0.0000390100000000 ] - [ -0.0000631400000000, -0.0001845300000000, 0.0003493000000000 ] - [ 0.0002589200000000, 0.0001233300000000, 0.0001583200000000 ]- atom: 2 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0000668000000000, -0.0010843700000000, -0.0006572600000000 ] - [ -0.0034569600000000, -0.0027517000000000, 0.0060450300000000 ] - [ 0.0004852100000000, -0.0002004700000000, 0.0006577600000000 ] - [ -0.0001053200000000, -0.0000580800000000, -0.0003976600000000 ] - [ -0.0000683700000000, 0.0001526700000000, 0.0003013700000000 ] - [ 0.0000950400000000, 0.0000039500000000, -0.0005851300000000 ] - [ -0.0000265000000000, -0.0001202700000000, -0.0000549900000000 ] - [ 0.0000849400000000, -0.0000933100000000, -0.0004228100000000 ] - [ -0.0000660600000000, -0.0001018400000000, 0.0000933100000000 ] - [ -0.0000089100000000, -0.0001299600000000, -0.0000240500000000 ] - [ -0.0000445600000000, -0.0001051800000000, 0.0001615400000000 ] - [ -0.0000535500000000, 0.0002034200000000, -0.0001156800000000 ] - [ -0.0000621600000000, 0.0004370800000000, 0.0002272800000000 ] - [ -0.0000288500000000, 0.0001675700000000, -0.0002603900000000 ] - [ -0.0000221700000000, 0.0000560200000000, -0.0000602000000000 ] - [ 0.0000021200000000, 0.0001856400000000, 0.0000837000000000 ] - [ 0.0003182300000000, 0.0004832600000000, -0.0000448300000000 ] - [ -0.0003533200000000, 0.0001546000000000, -0.0000908600000000 ] - [ 0.0009191700000000, 0.0002055400000000, -0.0010888900000000 ] - [ -0.0004389700000000, 0.0011163400000000, 0.0005330800000000 ] - [ 0.0000580100000000, 0.0001320300000000, -0.0002300900000000 ] - [ 0.0000206000000000, 0.0002341500000000, 0.0001336500000000 ] - [ 0.0000978100000000, -0.0000825900000000, -0.0001464500000000 ] - [ 0.0000972800000000, -0.0002653800000000, 0.0000348100000000 ] - [ -0.0001262900000000, -0.0014591200000000, -0.0002120100000000 ] - [ -0.0003118800000000, -0.0002254000000000, -0.0000536100000000 ] - [ 0.0026911400000000, 0.0006185600000000, -0.0004759000000000 ] - [ 0.0006626900000000, 0.0014943600000000, -0.0010462200000000 ] - [ 0.0015122700000000, -0.0006840300000000, -0.0008408700000000 ] - [ -0.0003635600000000, 0.0005506500000000, -0.0001022900000000 ] - [ -0.0017796200000000, 0.0007766300000000, -0.0011147800000000 ] - [ 0.0006136500000000, 0.0012379400000000, 0.0010337000000000 ] - [ -0.0005742500000000, -0.0006135100000000, 0.0000575000000000 ] - [ -0.0002838600000000, -0.0004780000000000, -0.0004669600000000 ] - [ -0.0000664300000000, -0.0000520200000000, -0.0004241400000000 ] - [ 0.0003561800000000, -0.0001441000000000, -0.0000450900000000 ] - [ -0.0000764700000000, 0.0002185700000000, -0.0003864100000000 ] - [ -0.0003251400000000, 0.0008134200000000, -0.0000286700000000 ] - [ -0.0002254900000000, 0.0002873100000000, 0.0000116200000000 ] - [ 0.0003638900000000, 0.0002353000000000, 0.0002036700000000 ] - [ 0.0000496200000000, -0.0001887000000000, -0.0001093200000000 ] - [ -0.0006450700000000, 0.0001108000000000, 0.0001030700000000 ] - [ 0.0000049100000000, -0.0002539900000000, -0.0010627100000000 ] - [ -0.0000215000000000, 0.0004527800000000, 0.0005255300000000 ] - [ -0.0003522000000000, -0.0001714100000000, 0.0006700000000000 ] - [ -0.0006930200000000, 0.0003971900000000, -0.0000211300000000 ] - [ -0.0000902300000000, -0.0004327900000000, 0.0003454600000000 ] - [ 0.0003877300000000, -0.0002517000000000, -0.0000371400000000 ] - [ 0.0003197700000000, -0.0000719000000000, -0.0000416900000000 ] - [ -0.0000762400000000, -0.0001065400000000, -0.0000289500000000 ] - [ -0.0001013900000000, -0.0001315000000000, 0.0000065200000000 ] - [ 0.0001248900000000, -0.0005859800000000, 0.0004753300000000 ] - [ -0.0010140000000000, -0.0001442400000000, 0.0001919000000000 ] - [ -0.0000031900000000, -0.0004252500000000, 0.0000471800000000 ] - [ -0.0000625200000000, -0.0007826000000000, -0.0007944600000000 ] - [ 0.0002375100000000, -0.0000942600000000, -0.0001046300000000 ] - [ -0.0001230500000000, -0.0012195200000000, -0.0007097900000000 ] - [ 0.0002396200000000, -0.0004496500000000, -0.0000726100000000 ] - [ 0.0000940700000000, 0.0000405500000000, 0.0001469300000000 ] - [ 0.0002301300000000, -0.0002046900000000, 0.0002279500000000 ] - [ -0.0001449300000000, 0.0003072100000000, 0.0000733700000000 ] - [ 0.0014967200000000, 0.0005094400000000, 0.0004269500000000 ] - [ -0.0012541200000000, -0.0004635700000000, -0.0010471600000000 ] - [ -0.0002233800000000, -0.0000276500000000, -0.0000381000000000 ] - [ 0.0006470300000000, -0.0001250800000000, 0.0002117000000000 ] - [ 0.0016398000000000, 0.0031408700000000, -0.0018025200000000 ] - [ 0.0000029200000000, 0.0002278400000000, -0.0000218500000000 ] - [ 0.0002689300000000, -0.0002067500000000, -0.0000456300000000 ] - [ -0.0002772900000000, 0.0003861500000000, -0.0000363300000000 ] - [ -0.0002579500000000, -0.0006257100000000, 0.0004448900000000 ] - [ -0.0005721700000000, -0.0003210200000000, 0.0000754900000000 ] - [ -0.0000339400000000, 0.0001404000000000, 0.0003630300000000 ] - [ 0.0000923600000000, 0.0001737600000000, -0.0000707800000000 ] - [ -0.0001067000000000, 0.0000536700000000, -0.0001928300000000 ] - [ 0.0002519600000000, -0.0000896500000000, 0.0001692900000000 ] - [ -0.0000974700000000, 0.0004310300000000, 0.0004918900000000 ] - [ -0.0001582800000000, 0.0000030800000000, 0.0002558300000000 ] - [ -0.0000542700000000, 0.0001492500000000, 0.0003584900000000 ] - [ -0.0001828000000000, -0.0004496300000000, 0.0001886700000000 ] - [ 0.0004651200000000, -0.0000985000000000, 0.0000586200000000 ] - [ 0.0000977100000000, -0.0001529500000000, 0.0000108100000000 ] - [ 0.0000937400000000, 0.0001278400000000, -0.0001718900000000 ] - [ -0.0001326900000000, -0.0000219600000000, 0.0002356500000000 ] - [ -0.0002246100000000, -0.0001047200000000, -0.0000687600000000 ] - [ 0.0000405300000000, 0.0000370300000000, 0.0000032500000000 ] - [ -0.0001322000000000, -0.0006181100000000, 0.0002669800000000 ] - [ 0.0000103700000000, -0.0002506200000000, -0.0000162500000000 ] - [ 0.0001701100000000, 0.0000413600000000, 0.0000422100000000 ] - [ -0.0002799800000000, -0.0001209500000000, -0.0002708400000000 ] - [ 0.0002439300000000, -0.0003249300000000, -0.0000767600000000 ] - [ 0.0001133000000000, 0.0002652800000000, 0.0000164100000000 ] - [ -0.0002913200000000, 0.0001524200000000, -0.0002267200000000 ] - [ 0.0000547400000000, -0.0000269700000000, 0.0000177600000000 ] - [ -0.0000891900000000, -0.0000043600000000, -0.0001471100000000 ] - [ 0.0002677700000000, 0.0000956200000000, -0.0002385800000000 ] - [ -0.0002150100000000, 0.0002803200000000, 0.0001907300000000 ] - [ 0.0001792300000000, -0.0000256500000000, -0.0000745700000000 ] - [ 0.0004254900000000, 0.0001377500000000, 0.0000010800000000 ] - [ 0.0000929200000000, 0.0002620200000000, -0.0001299300000000 ] - [ 0.0002217000000000, 0.0002715100000000, 0.0000582600000000 ] - [ -0.0002200600000000, 0.0003881800000000, 0.0001473100000000 ] - [ 0.0000097900000000, 0.0002101200000000, 0.0000663500000000 ] - [ -0.0000986300000000, -0.0002844200000000, 0.0003525400000000 ] - [ 0.0002122800000000, -0.0000511800000000, 0.0001898100000000 ]- atom: 3 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ 0.0002945700000000, 0.0000167200000000, 0.0001513200000000 ] - [ 0.0013879900000000, -0.0000412900000000, -0.0001037000000000 ] - [ -0.0120499800000000, 0.0033931400000000, 0.0016981400000000 ] - [ -0.0001604700000000, 0.0001445300000000, -0.0002133600000000 ] - [ -0.0001877100000000, 0.0001135300000000, 0.0000629200000000 ] - [ -0.0002879900000000, 0.0003290600000000, -0.0000713300000000 ] - [ 0.0000241200000000, -0.0000722900000000, -0.0001583800000000 ] - [ 0.0001017400000000, 0.0001822800000000, 0.0003830100000000 ] - [ -0.0001874400000000, -0.0002148100000000, 0.0001500500000000 ] - [ -0.0000784000000000, -0.0002192700000000, -0.0000493300000000 ] - [ 0.0000267800000000, -0.0001986100000000, 0.0001371600000000 ] - [ -0.0000179000000000, 0.0001346000000000, -0.0000775200000000 ] - [ -0.0000897600000000, 0.0001721100000000, 0.0002141300000000 ] - [ 0.0000626100000000, 0.0000705800000000, -0.0002023000000000 ] - [ -0.0000339600000000, -0.0000371800000000, -0.0002030500000000 ] - [ -0.0000324400000000, 0.0000780500000000, 0.0000528600000000 ] - [ -0.0008538000000000, -0.0008681600000000, -0.0003807700000000 ] - [ -0.0002955000000000, 0.0008465500000000, -0.0000468300000000 ] - [ 0.0001995100000000, -0.0005933200000000, 0.0001216700000000 ] - [ 0.0009030300000000, -0.0005721300000000, 0.0001913300000000 ] - [ 0.0003043400000000, -0.0001409200000000, -0.0002116000000000 ] - [ 0.0000680800000000, 0.0000594800000000, 0.0001223800000000 ] - [ 0.0000598000000000, -0.0002057500000000, -0.0002012700000000 ] - [ -0.0001574600000000, -0.0003498300000000, 0.0001639800000000 ] - [ -0.0009901900000000, -0.0026273300000000, 0.0007345400000000 ] - [ -0.0002762200000000, -0.0001122600000000, -0.0007704000000000 ] - [ 0.0020268700000000, -0.0016156400000000, 0.0020975000000000 ] - [ 0.0002157400000000, -0.0001125200000000, 0.0000511600000000 ] - [ -0.0024722500000000, 0.0001271700000000, -0.0002289900000000 ] - [ -0.0004704300000000, 0.0006476800000000, -0.0001084300000000 ] - [ 0.0005129800000000, 0.0003904900000000, -0.0002169000000000 ] - [ 0.0007409900000000, 0.0027714600000000, 0.0014918400000000 ] - [ -0.0003346900000000, -0.0008584600000000, -0.0001596700000000 ] - [ -0.0002320200000000, -0.0000636100000000, 0.0002865300000000 ] - [ -0.0000437400000000, -0.0002197300000000, -0.0003831400000000 ] - [ 0.0004153500000000, -0.0002518900000000, 0.0001097800000000 ] - [ -0.0000617500000000, 0.0000903800000000, -0.0004158200000000 ] - [ -0.0002399800000000, 0.0006916000000000, 0.0000094600000000 ] - [ -0.0003072400000000, 0.0002901500000000, -0.0001392500000000 ] - [ 0.0004012000000000, 0.0001549200000000, -0.0001783000000000 ] - [ 0.0002171600000000, 0.0003053700000000, -0.0002216700000000 ] - [ 0.0005525900000000, 0.0000283900000000, -0.0000882100000000 ] - [ 0.0001179500000000, 0.0004296400000000, -0.0000504800000000 ] - [ 0.0000364900000000, 0.0004403100000000, 0.0002901700000000 ] - [ -0.0003319100000000, -0.0000108700000000, 0.0001913300000000 ] - [ 0.0007711900000000, 0.0001965600000000, -0.0002122400000000 ] - [ -0.0002151400000000, -0.0004437400000000, 0.0001253700000000 ] - [ 0.0006476400000000, -0.0001830000000000, 0.0001849400000000 ] - [ 0.0001487300000000, -0.0000988100000000, -0.0002077500000000 ] - [ 0.0000053900000000, -0.0000434400000000, -0.0001550000000000 ] - [ 0.0006150800000000, 0.0000482300000000, 0.0002897400000000 ] - [ -0.0003584300000000, -0.0002542200000000, 0.0000902300000000 ] - [ -0.0005559800000000, 0.0004908100000000, -0.0005997200000000 ] - [ 0.0000547900000000, -0.0005368200000000, -0.0004737600000000 ] - [ 0.0016086300000000, -0.0004906500000000, -0.0015367300000000 ] - [ -0.0000245500000000, -0.0000750800000000, 0.0000872100000000 ] - [ -0.0006962800000000, -0.0005086000000000, -0.0003240400000000 ] - [ 0.0002230100000000, -0.0001644200000000, -0.0001273300000000 ] - [ 0.0001476200000000, 0.0001886100000000, 0.0000491100000000 ] - [ -0.0003683900000000, 0.0001113700000000, -0.0001812000000000 ] - [ 0.0002912300000000, -0.0000512400000000, 0.0000076300000000 ] - [ 0.0029106600000000, -0.0007746000000000, -0.0010085000000000 ] - [ 0.0041070000000000, -0.0010888600000000, -0.0023908200000000 ] - [ -0.0002473100000000, -0.0001979400000000, 0.0001040100000000 ] - [ 0.0000105900000000, 0.0000928300000000, -0.0000175000000000 ] - [ 0.0002111100000000, 0.0001084100000000, -0.0000159300000000 ] - [ -0.0000803400000000, -0.0000918600000000, 0.0002989400000000 ] - [ 0.0000536500000000, 0.0000238500000000, 0.0000238700000000 ] - [ -0.0007748000000000, -0.0000186400000000, -0.0001236800000000 ] - [ 0.0000657800000000, 0.0002002900000000, 0.0000064000000000 ] - [ 0.0004287900000000, -0.0006137900000000, 0.0017905800000000 ] - [ 0.0016533900000000, -0.0002561900000000, -0.0008011800000000 ] - [ -0.0000477100000000, 0.0004983500000000, -0.0001280500000000 ] - [ -0.0001180800000000, 0.0000365000000000, -0.0001654600000000 ] - [ 0.0002736900000000, 0.0000701600000000, 0.0001174700000000 ] - [ 0.0002010700000000, 0.0003555400000000, 0.0003457000000000 ] - [ -0.0001502400000000, 0.0000476800000000, 0.0002518800000000 ] - [ -0.0000854000000000, 0.0002627000000000, 0.0003572300000000 ] - [ -0.0001585800000000, -0.0004009200000000, 0.0001827500000000 ] - [ 0.0003252400000000, -0.0002061100000000, -0.0000013100000000 ] - [ 0.0001021900000000, 0.0003324500000000, 0.0001695600000000 ] - [ 0.0000878300000000, 0.0000610800000000, -0.0001157000000000 ] - [ -0.0002625000000000, 0.0000385100000000, 0.0002916000000000 ] - [ -0.0002073300000000, -0.0001026100000000, 0.0000022700000000 ] - [ 0.0000298600000000, 0.0001772600000000, 0.0000221700000000 ] - [ -0.0000418300000000, -0.0003880300000000, 0.0003095200000000 ] - [ 0.0000033400000000, -0.0002805200000000, 0.0000660000000000 ] - [ 0.0002627900000000, -0.0000460900000000, -0.0000599800000000 ] - [ -0.0002443100000000, -0.0001297700000000, -0.0002176400000000 ] - [ 0.0001981200000000, -0.0002252100000000, -0.0001524800000000 ] - [ 0.0001547100000000, 0.0002211300000000, 0.0000237500000000 ] - [ -0.0003164100000000, 0.0001830900000000, -0.0002441600000000 ] - [ 0.0000428700000000, 0.0000150800000000, -0.0000082700000000 ] - [ -0.0000547900000000, -0.0000123500000000, -0.0001699700000000 ] - [ 0.0002287300000000, 0.0003056000000000, -0.0000258900000000 ] - [ -0.0000992900000000, -0.0000279700000000, -0.0001415000000000 ] - [ 0.0001746800000000, 0.0000095800000000, -0.0000519000000000 ] - [ 0.0004374200000000, 0.0001701800000000, 0.0000299900000000 ] - [ 0.0000776400000000, 0.0002082200000000, -0.0000456100000000 ] - [ 0.0001573100000000, 0.0000889000000000, 0.0000217300000000 ] - [ -0.0001980400000000, 0.0004359800000000, 0.0001090000000000 ] - [ -0.0000033900000000, 0.0003108600000000, -0.0000039400000000 ] - [ -0.0001133900000000, -0.0001729300000000, 0.0003252400000000 ] - [ 0.0002341000000000, 0.0000723000000000, 0.0001927500000000 ]- atom: 3 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0005068100000000, -0.0003633200000000, 0.0001350700000000 ] - [ -0.0014411200000000, -0.0002793400000000, -0.0000195200000000 ] - [ 0.0120345100000000, -0.0036956700000000, -0.0012933000000000 ] - [ 0.0000950500000000, 0.0001762100000000, 0.0000894700000000 ] - [ -0.0000226000000000, 0.0002328200000000, 0.0002240100000000 ] - [ 0.0002795000000000, -0.0001369400000000, -0.0003261700000000 ] - [ -0.0000342900000000, -0.0001196900000000, -0.0002401700000000 ] - [ -0.0001377200000000, 0.0000917200000000, -0.0001316700000000 ] - [ -0.0000231300000000, -0.0001317500000000, 0.0001364000000000 ] - [ 0.0000124800000000, -0.0001018400000000, -0.0000734800000000 ] - [ -0.0000629700000000, -0.0000755600000000, 0.0001141900000000 ] - [ -0.0000483100000000, 0.0001867100000000, -0.0000455200000000 ] - [ -0.0001215800000000, 0.0001742300000000, 0.0000724600000000 ] - [ -0.0000722500000000, 0.0001208900000000, -0.0001960000000000 ] - [ 0.0000248500000000, -0.0001547500000000, -0.0001950800000000 ] - [ -0.0000034000000000, 0.0001962800000000, 0.0001982900000000 ] - [ 0.0010302100000000, 0.0011112700000000, 0.0000299200000000 ] - [ 0.0003693700000000, -0.0005000000000000, 0.0002959700000000 ] - [ -0.0000324200000000, 0.0003475900000000, -0.0004732200000000 ] - [ -0.0008345200000000, 0.0002267400000000, 0.0000565100000000 ] - [ -0.0001331100000000, 0.0003862500000000, -0.0001395000000000 ] - [ 0.0000017100000000, 0.0002851600000000, 0.0001273000000000 ] - [ 0.0001116300000000, -0.0000388700000000, -0.0001496800000000 ] - [ 0.0002274800000000, 0.0000048600000000, 0.0000862300000000 ] - [ 0.0001579900000000, 0.0012465900000000, -0.0009008700000000 ] - [ -0.0002290200000000, -0.0005003600000000, 0.0005040400000000 ] - [ -0.0021898000000000, 0.0014165900000000, -0.0029290100000000 ] - [ 0.0005450400000000, -0.0002910700000000, 0.0001015600000000 ] - [ 0.0023239500000000, 0.0000834900000000, -0.0005805400000000 ] - [ -0.0003642200000000, 0.0007384400000000, -0.0000586500000000 ] - [ -0.0010198400000000, 0.0002238700000000, -0.0000458600000000 ] - [ 0.0000153000000000, -0.0023604300000000, -0.0013416800000000 ] - [ -0.0005001500000000, -0.0005270300000000, -0.0000082800000000 ] - [ -0.0002737200000000, -0.0005502400000000, -0.0005520600000000 ] - [ -0.0000999100000000, 0.0000071000000000, -0.0004185800000000 ] - [ 0.0003444900000000, -0.0001519500000000, 0.0000415300000000 ] - [ -0.0000818900000000, 0.0001224900000000, -0.0003861200000000 ] - [ -0.0005938000000000, 0.0006930500000000, -0.0001791600000000 ] - [ -0.0001984400000000, 0.0003228400000000, -0.0001245800000000 ] - [ 0.0003596800000000, 0.0002490800000000, 0.0003304900000000 ] - [ -0.0000780900000000, -0.0003580200000000, -0.0000488500000000 ] - [ -0.0007546200000000, 0.0000564600000000, -0.0002283700000000 ] - [ 0.0003516900000000, -0.0005008700000000, 0.0004008200000000 ] - [ -0.0000361500000000, 0.0004423200000000, 0.0003567700000000 ] - [ 0.0000162100000000, 0.0000471200000000, 0.0003012600000000 ] - [ -0.0009232200000000, 0.0002728800000000, 0.0009236300000000 ] - [ -0.0001383000000000, -0.0003694400000000, 0.0002119100000000 ] - [ 0.0002077300000000, -0.0001194600000000, -0.0001401300000000 ] - [ 0.0000385200000000, -0.0002913400000000, 0.0000887700000000 ] - [ 0.0001346400000000, 0.0000937500000000, -0.0001154300000000 ] - [ -0.0009325500000000, -0.0000924100000000, 0.0001996000000000 ] - [ -0.0000743800000000, -0.0000122800000000, -0.0000616700000000 ] - [ 0.0006232900000000, -0.0004231900000000, 0.0005908000000000 ] - [ -0.0000529900000000, -0.0003452200000000, 0.0011188900000000 ] - [ -0.0015452000000000, -0.0000027300000000, 0.0015156900000000 ] - [ 0.0003828200000000, 0.0000892400000000, -0.0001791900000000 ] - [ 0.0000974200000000, 0.0001872400000000, -0.0001656300000000 ] - [ 0.0002399800000000, -0.0002660400000000, -0.0001033900000000 ] - [ 0.0001445800000000, 0.0001484400000000, 0.0000075300000000 ] - [ -0.0002318300000000, 0.0002080500000000, -0.0003098300000000 ] - [ -0.0002001000000000, -0.0000240100000000, -0.0000082900000000 ] - [ -0.0032399900000000, 0.0007378000000000, 0.0007117400000000 ] - [ -0.0035534100000000, 0.0014361400000000, 0.0020885000000000 ] - [ -0.0001850500000000, 0.0004649100000000, -0.0000735100000000 ] - [ 0.0003477800000000, -0.0001076800000000, -0.0000749800000000 ] - [ 0.0006431400000000, 0.0001930100000000, 0.0000600200000000 ] - [ 0.0002635500000000, 0.0004913900000000, -0.0004338500000000 ] - [ 0.0002386000000000, -0.0003613900000000, 0.0000324100000000 ] - [ 0.0004237100000000, 0.0008325200000000, 0.0004615100000000 ] - [ -0.0000501200000000, 0.0003234600000000, 0.0000205400000000 ] - [ -0.0005961300000000, 0.0001574200000000, -0.0011062200000000 ] - [ -0.0011889200000000, 0.0003325200000000, 0.0011709800000000 ] - [ 0.0001874700000000, -0.0005479000000000, -0.0001429400000000 ] - [ -0.0000837200000000, 0.0000492500000000, -0.0001494900000000 ] - [ 0.0001982600000000, -0.0001413400000000, 0.0002311900000000 ] - [ -0.0002005300000000, 0.0005308600000000, 0.0003049500000000 ] - [ -0.0001654900000000, -0.0000113800000000, 0.0002415900000000 ] - [ -0.0000776400000000, 0.0002046600000000, 0.0003448000000000 ] - [ -0.0001954300000000, -0.0004124500000000, 0.0001527800000000 ] - [ 0.0005299300000000, -0.0000959600000000, 0.0000468000000000 ] - [ 0.0000836800000000, -0.0007214500000000, -0.0002888600000000 ] - [ 0.0000518800000000, -0.0000104700000000, -0.0001557500000000 ] - [ -0.0000531300000000, -0.0000748800000000, 0.0002017900000000 ] - [ -0.0002255000000000, -0.0001649100000000, 0.0000281500000000 ] - [ 0.0000607300000000, -0.0001027300000000, -0.0000230500000000 ] - [ 0.0000416200000000, -0.0004946100000000, 0.0003374900000000 ] - [ 0.0000125300000000, -0.0002432700000000, -0.0000387100000000 ] - [ 0.0000940800000000, 0.0000590600000000, -0.0000319400000000 ] - [ -0.0003558000000000, -0.0001902300000000, -0.0002729000000000 ] - [ 0.0002646700000000, -0.0002068200000000, -0.0000760400000000 ] - [ 0.0001377900000000, 0.0001159600000000, 0.0000321400000000 ] - [ -0.0002830800000000, 0.0001366400000000, -0.0002463000000000 ] - [ 0.0000476500000000, -0.0000899400000000, 0.0000073800000000 ] - [ -0.0001469100000000, -0.0000734500000000, -0.0001449900000000 ] - [ 0.0002343900000000, 0.0001246300000000, -0.0002042100000000 ] - [ -0.0003335600000000, 0.0002963300000000, 0.0001727500000000 ] - [ 0.0001825900000000, -0.0000224700000000, -0.0000399200000000 ] - [ 0.0004173600000000, 0.0001319200000000, 0.0000150500000000 ] - [ 0.0001088900000000, 0.0001816400000000, -0.0000742100000000 ] - [ 0.0001350300000000, -0.0004272700000000, 0.0000344300000000 ] - [ -0.0001557300000000, 0.0003772000000000, 0.0002267500000000 ] - [ 0.0000190200000000, 0.0002131500000000, 0.0000316500000000 ] - [ -0.0000497900000000, -0.0002945400000000, 0.0003768500000000 ] - [ 0.0002379300000000, -0.0000012700000000, 0.0001560300000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003064900000000, -0.0002150300000000, 0.0002161600000000 ] - [ -0.0001051100000000, -0.0007829800000000, -0.0000190200000000 ] - [ 0.0034698900000000, -0.0125338500000000, 0.0038506200000000 ] - [ -0.0000249700000000, 0.0000580200000000, -0.0003035000000000 ] - [ -0.0001534200000000, 0.0002645600000000, 0.0003034400000000 ] - [ 0.0002221100000000, 0.0002263600000000, 0.0002771000000000 ] - [ 0.0000948200000000, 0.0001029400000000, 0.0000907700000000 ] - [ -0.0000627500000000, 0.0000671400000000, -0.0000551700000000 ] - [ -0.0000718300000000, 0.0000311100000000, 0.0000907900000000 ] - [ 0.0000219000000000, 0.0000147300000000, -0.0000761900000000 ] - [ -0.0000794800000000, 0.0000324000000000, 0.0001082700000000 ] - [ -0.0000863100000000, 0.0003054200000000, -0.0000288200000000 ] - [ -0.0002011900000000, 0.0002416400000000, 0.0000916200000000 ] - [ -0.0000312500000000, 0.0002857600000000, -0.0002713200000000 ] - [ 0.0000912800000000, -0.0000179800000000, -0.0002213600000000 ] - [ 0.0000409200000000, 0.0002981400000000, 0.0001898000000000 ] - [ -0.0010748900000000, 0.0013928000000000, -0.0013651500000000 ] - [ 0.0007318000000000, -0.0010042600000000, -0.0006213200000000 ] - [ -0.0007091400000000, -0.0012304900000000, -0.0009617700000000 ] - [ 0.0002273800000000, 0.0000025000000000, -0.0002899800000000 ] - [ -0.0000676700000000, 0.0005264900000000, -0.0001930400000000 ] - [ 0.0000157100000000, 0.0004824300000000, 0.0001728200000000 ] - [ 0.0001174500000000, 0.0001892800000000, -0.0001145500000000 ] - [ 0.0002115100000000, 0.0007358200000000, 0.0002825000000000 ] - [ -0.0009084500000000, 0.0007722100000000, -0.0001894300000000 ] - [ -0.0001949400000000, 0.0004382200000000, -0.0001995200000000 ] - [ -0.0015702900000000, -0.0026969700000000, -0.0004008800000000 ] - [ 0.0004223500000000, -0.0005872300000000, 0.0001125900000000 ] - [ -0.0001258900000000, 0.0001089000000000, -0.0000647400000000 ] - [ -0.0003603500000000, 0.0007371900000000, -0.0000305700000000 ] - [ -0.0002382900000000, 0.0002187700000000, -0.0005301700000000 ] - [ 0.0027267500000000, 0.0006916100000000, -0.0013311400000000 ] - [ -0.0005795000000000, -0.0004879500000000, -0.0003191900000000 ] - [ -0.0003337000000000, -0.0001699700000000, -0.0002386000000000 ] - [ -0.0000859300000000, 0.0001508200000000, -0.0004381100000000 ] - [ 0.0003448000000000, 0.0000237300000000, -0.0000998900000000 ] - [ -0.0000790100000000, 0.0002749500000000, -0.0003365400000000 ] - [ -0.0004843400000000, 0.0007326200000000, -0.0004151500000000 ] - [ -0.0002122800000000, 0.0004343600000000, -0.0000916700000000 ] - [ 0.0004639600000000, 0.0004381500000000, 0.0004150800000000 ] - [ 0.0002806800000000, -0.0001961800000000, -0.0000622600000000 ] - [ -0.0000669500000000, -0.0000179500000000, -0.0001961200000000 ] - [ 0.0004580300000000, 0.0005583400000000, 0.0002621200000000 ] - [ -0.0000124800000000, 0.0004361800000000, 0.0004359300000000 ] - [ -0.0001742600000000, 0.0002447900000000, 0.0002691100000000 ] - [ -0.0000972200000000, 0.0008915700000000, 0.0002587500000000 ] - [ -0.0001031300000000, -0.0002799400000000, 0.0004168400000000 ] - [ 0.0003556300000000, -0.0003619600000000, 0.0002848400000000 ] - [ 0.0000514700000000, -0.0001355600000000, -0.0000533200000000 ] - [ 0.0001251200000000, -0.0000262000000000, 0.0001902100000000 ] - [ 0.0001806900000000, 0.0041968700000000, 0.0017258300000000 ] - [ -0.0002383000000000, -0.0000531300000000, 0.0001063200000000 ] - [ -0.0001288300000000, 0.0015143100000000, -0.0000959900000000 ] - [ 0.0000737600000000, -0.0003092800000000, 0.0006507700000000 ] - [ 0.0003389500000000, 0.0002725700000000, -0.0000910100000000 ] - [ -0.0001727100000000, -0.0002284800000000, 0.0002141600000000 ] - [ -0.0007194700000000, -0.0002571300000000, -0.0000526900000000 ] - [ 0.0002254900000000, -0.0003738800000000, -0.0001106800000000 ] - [ 0.0000781100000000, 0.0000501200000000, 0.0001961200000000 ] - [ -0.0002056700000000, 0.0003326100000000, -0.0003016400000000 ] - [ 0.0000519200000000, 0.0003358200000000, -0.0001589000000000 ] - [ -0.0007259200000000, -0.0000901000000000, -0.0000640900000000 ] - [ -0.0016965200000000, 0.0004272100000000, 0.0010873500000000 ] - [ -0.0003289300000000, -0.0002324000000000, 0.0000481100000000 ] - [ 0.0001337300000000, 0.0001627700000000, 0.0000841100000000 ] - [ 0.0005229900000000, 0.0003103200000000, 0.0001448900000000 ] - [ -0.0001367700000000, 0.0026015900000000, -0.0024687500000000 ] - [ 0.0001697500000000, -0.0004090200000000, 0.0000291600000000 ] - [ -0.0000571300000000, 0.0009212800000000, 0.0004030700000000 ] - [ -0.0000231800000000, 0.0005994700000000, -0.0000807800000000 ] - [ -0.0006067100000000, 0.0014715800000000, -0.0018513200000000 ] - [ 0.0000903100000000, 0.0009345400000000, 0.0006128800000000 ] - [ 0.0002513100000000, -0.0002932100000000, -0.0000605000000000 ] - [ -0.0000736400000000, 0.0000630700000000, -0.0001701600000000 ] - [ 0.0002529900000000, -0.0002802400000000, 0.0002051100000000 ] - [ -0.0000291200000000, 0.0012437500000000, 0.0005789600000000 ] - [ -0.0001829900000000, -0.0000948100000000, 0.0002479700000000 ] - [ -0.0000490500000000, 0.0000946800000000, 0.0003407400000000 ] - [ -0.0002134000000000, -0.0004444400000000, 0.0001429000000000 ] - [ 0.0004162300000000, -0.0002570900000000, 0.0000161900000000 ] - [ 0.0001740800000000, -0.0005005800000000, -0.0002168400000000 ] - [ 0.0000612100000000, -0.0000941600000000, -0.0001744200000000 ] - [ -0.0001236100000000, -0.0001418300000000, 0.0002111800000000 ] - [ -0.0002076400000000, -0.0002993100000000, 0.0000061000000000 ] - [ 0.0000354600000000, -0.0001007800000000, -0.0000555500000000 ] - [ 0.0000794300000000, -0.0004520200000000, 0.0003048800000000 ] - [ 0.0000033500000000, -0.0004999300000000, -0.0001495500000000 ] - [ 0.0001069300000000, -0.0000995400000000, -0.0000924000000000 ] - [ -0.0004062900000000, -0.0003255200000000, -0.0002597300000000 ] - [ 0.0002654900000000, -0.0003806200000000, 0.0001464400000000 ] - [ 0.0001237600000000, 0.0000967400000000, 0.0000327200000000 ] - [ -0.0002799200000000, 0.0000637100000000, -0.0002437000000000 ] - [ 0.0000480500000000, -0.0002172600000000, 0.0000187500000000 ] - [ -0.0000926100000000, -0.0000720600000000, -0.0000931100000000 ] - [ 0.0002359100000000, 0.0000503700000000, -0.0000914900000000 ] - [ -0.0001980200000000, 0.0000284300000000, -0.0000161100000000 ] - [ 0.0001659400000000, -0.0001087800000000, -0.0000799000000000 ] - [ 0.0004215500000000, 0.0000646600000000, 0.0000069400000000 ] - [ 0.0000889500000000, 0.0001791400000000, -0.0001074000000000 ] - [ 0.0004074500000000, -0.0007959900000000, -0.0000940500000000 ] - [ -0.0000953800000000, 0.0002624900000000, 0.0002198800000000 ] - [ 0.0000127700000000, 0.0000364100000000, 0.0001027700000000 ] - [ -0.0001074700000000, -0.0004557700000000, 0.0003556900000000 ] - [ 0.0002106400000000, -0.0001125500000000, 0.0001398600000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000958200000000, -0.0001301400000000, 0.0000704800000000 ] - [ 0.0000374300000000, 0.0004618700000000, -0.0001037200000000 ] - [ -0.0035929800000000, 0.0121206200000000, -0.0036226000000000 ] - [ -0.0000409100000000, 0.0002626900000000, 0.0001801600000000 ] - [ -0.0000570800000000, 0.0000816000000000, -0.0000169000000000 ] - [ -0.0002330200000000, -0.0000348500000000, -0.0006787400000000 ] - [ -0.0001049400000000, -0.0002946100000000, -0.0004893900000000 ] - [ 0.0000265600000000, 0.0002070600000000, 0.0003068700000000 ] - [ -0.0001387000000000, -0.0003774700000000, 0.0001955700000000 ] - [ -0.0000879400000000, -0.0003363200000000, -0.0000464400000000 ] - [ 0.0000433800000000, -0.0003072300000000, 0.0001433500000000 ] - [ 0.0000201100000000, 0.0000157900000000, -0.0000941900000000 ] - [ -0.0000092600000000, 0.0001046700000000, 0.0001950100000000 ] - [ 0.0000214800000000, -0.0000943300000000, -0.0001268600000000 ] - [ -0.0001013200000000, -0.0001738300000000, -0.0001765200000000 ] - [ -0.0000769600000000, -0.0000236500000000, 0.0000615200000000 ] - [ 0.0012388600000000, -0.0011387100000000, 0.0010033200000000 ] - [ -0.0006637600000000, 0.0013533500000000, 0.0008732100000000 ] - [ 0.0008821600000000, 0.0009891600000000, 0.0006129600000000 ] - [ -0.0001569500000000, -0.0003491000000000, 0.0005380100000000 ] - [ 0.0002398000000000, -0.0002805200000000, -0.0001578100000000 ] - [ 0.0000539500000000, -0.0001382100000000, 0.0000765000000000 ] - [ 0.0000542200000000, -0.0004345400000000, -0.0002364200000000 ] - [ -0.0001426200000000, -0.0010894000000000, -0.0000359400000000 ] - [ 0.0000892700000000, -0.0021480600000000, 0.0000149600000000 ] - [ -0.0003119800000000, -0.0010454100000000, -0.0000657200000000 ] - [ 0.0014355700000000, 0.0024802200000000, -0.0003942300000000 ] - [ 0.0003375800000000, 0.0001852100000000, 0.0000393500000000 ] - [ -0.0000194900000000, 0.0000994900000000, -0.0007391300000000 ] - [ -0.0004741700000000, 0.0006462000000000, -0.0001366300000000 ] - [ -0.0002677200000000, 0.0003933400000000, 0.0002664500000000 ] - [ -0.0019504900000000, -0.0002883200000000, 0.0014728700000000 ] - [ -0.0002552600000000, -0.0008961200000000, 0.0001510700000000 ] - [ -0.0001721100000000, -0.0004429100000000, -0.0000261600000000 ] - [ -0.0000575700000000, -0.0003655600000000, -0.0003644200000000 ] - [ 0.0004151200000000, -0.0004271900000000, 0.0002515600000000 ] - [ -0.0000644900000000, -0.0000602800000000, -0.0004658600000000 ] - [ -0.0003489200000000, 0.0006489900000000, 0.0002465900000000 ] - [ -0.0002934600000000, 0.0001776900000000, -0.0001722500000000 ] - [ 0.0002955600000000, -0.0000352800000000, -0.0002638800000000 ] - [ -0.0001384300000000, 0.0001454600000000, -0.0002083600000000 ] - [ -0.0001342800000000, 0.0001039300000000, -0.0001160000000000 ] - [ 0.0000126100000000, -0.0006303500000000, 0.0000867900000000 ] - [ 0.0000129300000000, 0.0004456000000000, 0.0002113900000000 ] - [ -0.0001411400000000, -0.0002094800000000, 0.0002253000000000 ] - [ -0.0000655500000000, -0.0004217800000000, 0.0004481800000000 ] - [ -0.0002508200000000, -0.0005337800000000, -0.0000817500000000 ] - [ 0.0004986500000000, 0.0000592000000000, -0.0002383000000000 ] - [ 0.0001355900000000, -0.0002549600000000, -0.0000668300000000 ] - [ 0.0000155500000000, 0.0000761300000000, -0.0004617800000000 ] - [ -0.0004562800000000, -0.0040334700000000, -0.0012075900000000 ] - [ -0.0001946100000000, -0.0002160000000000, -0.0000755800000000 ] - [ 0.0002095800000000, -0.0014435900000000, 0.0000897400000000 ] - [ -0.0000740300000000, -0.0005732300000000, -0.0000019100000000 ] - [ -0.0003151500000000, -0.0007900200000000, 0.0001140700000000 ] - [ 0.0005284700000000, 0.0002419300000000, -0.0003054800000000 ] - [ 0.0001181800000000, -0.0000624300000000, -0.0004347200000000 ] - [ 0.0002374500000000, -0.0000560800000000, -0.0001203900000000 ] - [ 0.0002137100000000, 0.0002860000000000, -0.0001413400000000 ] - [ -0.0003947500000000, -0.0000131900000000, -0.0001880100000000 ] - [ 0.0000387500000000, -0.0004091700000000, 0.0001580300000000 ] - [ 0.0005127900000000, 0.0000011600000000, -0.0002500000000000 ] - [ 0.0022072500000000, -0.0000220400000000, -0.0013468000000000 ] - [ -0.0001029400000000, 0.0005014200000000, -0.0000182700000000 ] - [ 0.0002232100000000, -0.0001759300000000, -0.0001766800000000 ] - [ 0.0003320600000000, -0.0000090700000000, -0.0001006500000000 ] - [ 0.0003333100000000, -0.0022733900000000, 0.0024203200000000 ] - [ 0.0001212200000000, 0.0000735700000000, 0.0000263000000000 ] - [ -0.0002983500000000, -0.0001058100000000, -0.0000658300000000 ] - [ 0.0000387300000000, -0.0000751800000000, 0.0001086000000000 ] - [ 0.0004254200000000, -0.0019291400000000, 0.0025152100000000 ] - [ 0.0003839300000000, -0.0008640600000000, -0.0002632300000000 ] - [ -0.0001117300000000, 0.0002408800000000, -0.0002102500000000 ] - [ -0.0001280300000000, 0.0000236500000000, -0.0001449900000000 ] - [ 0.0002182500000000, 0.0002085200000000, 0.0001436600000000 ] - [ 0.0000295800000000, -0.0003609600000000, 0.0000785700000000 ] - [ -0.0001327800000000, 0.0001307200000000, 0.0002466300000000 ] - [ -0.0001134500000000, 0.0003737500000000, 0.0003616700000000 ] - [ -0.0001401100000000, -0.0003700400000000, 0.0001931800000000 ] - [ 0.0004398300000000, -0.0000442900000000, 0.0000287700000000 ] - [ 0.0000102700000000, 0.0001089300000000, 0.0000973300000000 ] - [ 0.0000798500000000, 0.0001445300000000, -0.0000962700000000 ] - [ -0.0001915100000000, 0.0001058700000000, 0.0002832100000000 ] - [ -0.0002254700000000, 0.0000311200000000, 0.0000241300000000 ] - [ 0.0000551500000000, 0.0001751800000000, 0.0000550300000000 ] - [ -0.0000795300000000, -0.0004295200000000, 0.0003423900000000 ] - [ 0.0000124400000000, -0.0000246300000000, 0.0001772000000000 ] - [ 0.0002509900000000, 0.0001136400000000, 0.0000006300000000 ] - [ -0.0001928300000000, 0.0000065600000000, -0.0002301400000000 ] - [ 0.0001972000000000, -0.0000515900000000, -0.0003756900000000 ] - [ 0.0001677900000000, 0.0002395800000000, 0.0000226100000000 ] - [ -0.0003199700000000, 0.0002562300000000, -0.0002460900000000 ] - [ 0.0000422600000000, 0.0001430800000000, -0.0000193800000000 ] - [ -0.0001098100000000, -0.0000148400000000, -0.0002219800000000 ] - [ 0.0002272000000000, 0.0003798500000000, -0.0001384900000000 ] - [ -0.0002351600000000, 0.0002407100000000, 0.0000474500000000 ] - [ 0.0001911500000000, 0.0000953200000000, -0.0000126700000000 ] - [ 0.0004335200000000, 0.0002369900000000, 0.0000375700000000 ] - [ 0.0000972700000000, 0.0002120400000000, -0.0000128000000000 ] - [ -0.0001201500000000, 0.0004662100000000, 0.0001515800000000 ] - [ -0.0002584500000000, 0.0005531900000000, 0.0001160300000000 ] - [ 0.0000025700000000, 0.0004889800000000, -0.0000751300000000 ] - [ -0.0000550000000000, -0.0000122100000000, 0.0003469400000000 ] - [ 0.0002608600000000, 0.0001844100000000, 0.0002088700000000 ]- atom: 3 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0002293900000000, -0.0001414100000000, 0.0004261300000000 ] - [ -0.0003256300000000, -0.0001426700000000, -0.0005211600000000 ] - [ 0.0053567400000000, 0.0022398100000000, -0.0125401700000000 ] - [ -0.0002136400000000, 0.0003365600000000, 0.0004609500000000 ] - [ -0.0001529800000000, 0.0002945300000000, 0.0000446700000000 ] - [ 0.0002140500000000, 0.0004446800000000, 0.0003122400000000 ] - [ 0.0000397000000000, -0.0000630600000000, -0.0003784900000000 ] - [ 0.0001850500000000, 0.0002937100000000, 0.0004616900000000 ] - [ -0.0000818400000000, -0.0002235300000000, 0.0001723600000000 ] - [ -0.0000272200000000, -0.0001584700000000, -0.0001045200000000 ] - [ -0.0000219000000000, -0.0001337200000000, 0.0000980500000000 ] - [ 0.0000283700000000, 0.0001051600000000, 0.0000091700000000 ] - [ -0.0000072500000000, 0.0000583000000000, 0.0000237900000000 ] - [ -0.0000190900000000, 0.0000483700000000, -0.0001324900000000 ] - [ -0.0000770700000000, -0.0002379600000000, -0.0003092800000000 ] - [ -0.0000824200000000, 0.0000959500000000, 0.0002196400000000 ] - [ 0.0002241200000000, -0.0007917200000000, -0.0006549600000000 ] - [ -0.0006811800000000, -0.0008813400000000, 0.0011832100000000 ] - [ 0.0008103700000000, -0.0005349100000000, 0.0006194300000000 ] - [ -0.0002914400000000, -0.0002990400000000, -0.0000392100000000 ] - [ -0.0000107700000000, 0.0003285200000000, -0.0000461800000000 ] - [ 0.0000628100000000, 0.0001602700000000, 0.0001128700000000 ] - [ 0.0000500500000000, -0.0001494900000000, -0.0001784900000000 ] - [ 0.0001180500000000, -0.0000268500000000, 0.0001792700000000 ] - [ 0.0002180300000000, 0.0011761200000000, -0.0004678400000000 ] - [ -0.0004695100000000, -0.0004800400000000, 0.0001923100000000 ] - [ 0.0018298800000000, 0.0001348100000000, -0.0020246000000000 ] - [ 0.0004752500000000, -0.0002004500000000, 0.0000812200000000 ] - [ 0.0011248600000000, 0.0015233800000000, 0.0012035100000000 ] - [ -0.0004158700000000, 0.0007978800000000, -0.0000954800000000 ] - [ -0.0005690400000000, 0.0002035600000000, 0.0004934800000000 ] - [ 0.0007079300000000, -0.0026039800000000, -0.0020920400000000 ] - [ -0.0004116900000000, -0.0006829500000000, -0.0001836600000000 ] - [ -0.0002158100000000, -0.0002927400000000, -0.0000636300000000 ] - [ -0.0001019100000000, -0.0000940800000000, -0.0003845900000000 ] - [ 0.0003769500000000, -0.0002828900000000, 0.0002681600000000 ] - [ -0.0000784300000000, 0.0000237800000000, -0.0004032100000000 ] - [ -0.0006486500000000, 0.0008415900000000, 0.0004427800000000 ] - [ -0.0002402200000000, 0.0003698500000000, -0.0003588800000000 ] - [ 0.0003069000000000, 0.0002006500000000, 0.0001138500000000 ] - [ 0.0000554600000000, -0.0001172100000000, -0.0000661700000000 ] - [ -0.0003642300000000, 0.0001097600000000, -0.0004775300000000 ] - [ -0.0003119000000000, -0.0001657500000000, 0.0006500200000000 ] - [ -0.0000056400000000, 0.0004415700000000, 0.0002388600000000 ] - [ -0.0002092900000000, 0.0000583200000000, 0.0001012300000000 ] - [ -0.0003210500000000, 0.0000547900000000, -0.0003609900000000 ] - [ -0.0001945300000000, -0.0004318800000000, -0.0002493100000000 ] - [ 0.0004087500000000, -0.0000097100000000, -0.0000024700000000 ] - [ 0.0001210000000000, -0.0001857500000000, 0.0000095500000000 ] - [ 0.0000725200000000, 0.0002178200000000, -0.0002865600000000 ] - [ -0.0005326600000000, 0.0011216600000000, 0.0009056800000000 ] - [ -0.0001581400000000, 0.0000126800000000, -0.0001911500000000 ] - [ -0.0004130400000000, 0.0000479500000000, 0.0004186200000000 ] - [ -0.0000878100000000, -0.0003962800000000, 0.0010653200000000 ] - [ -0.0017668500000000, 0.0001090000000000, 0.0025135800000000 ] - [ 0.0002788000000000, 0.0001733600000000, -0.0000712800000000 ] - [ -0.0000053100000000, 0.0001981300000000, 0.0001578200000000 ] - [ 0.0002443700000000, -0.0002193000000000, -0.0001018000000000 ] - [ 0.0002764700000000, 0.0002992900000000, -0.0002156500000000 ] - [ -0.0001430300000000, 0.0002117700000000, -0.0006049700000000 ] - [ -0.0000930500000000, -0.0004603600000000, -0.0001049600000000 ] - [ -0.0020095200000000, 0.0003131700000000, 0.0000655700000000 ] - [ -0.0033385700000000, 0.0014471100000000, 0.0018501500000000 ] - [ -0.0001520600000000, 0.0005217500000000, 0.0000291600000000 ] - [ 0.0004090300000000, -0.0000012400000000, -0.0002584800000000 ] - [ 0.0003186100000000, 0.0002172500000000, -0.0001736700000000 ] - [ 0.0004481900000000, -0.0026080800000000, 0.0028466800000000 ] - [ 0.0001524000000000, -0.0002110100000000, 0.0000857800000000 ] - [ 0.0001009000000000, 0.0007978600000000, 0.0006235300000000 ] - [ -0.0000328600000000, 0.0003126300000000, -0.0000464900000000 ] - [ 0.0010416600000000, -0.0019407000000000, 0.0042942500000000 ] - [ -0.0014745600000000, 0.0005219600000000, 0.0015375300000000 ] - [ 0.0002226900000000, -0.0007068600000000, -0.0001774000000000 ] - [ -0.0000918800000000, 0.0000407200000000, -0.0001282700000000 ] - [ 0.0001997200000000, -0.0000361800000000, 0.0002063700000000 ] - [ -0.0000143000000000, -0.0000183800000000, -0.0005259300000000 ] - [ -0.0001327600000000, 0.0000346600000000, 0.0002231900000000 ] - [ -0.0000958600000000, 0.0002744900000000, 0.0003453500000000 ] - [ -0.0001833600000000, -0.0003799300000000, 0.0001530900000000 ] - [ 0.0004650100000000, -0.0001463000000000, -0.0000216800000000 ] - [ 0.0001112100000000, -0.0005488500000000, -0.0002804700000000 ] - [ 0.0000568800000000, -0.0000054100000000, -0.0001291100000000 ] - [ -0.0000836600000000, -0.0000696200000000, 0.0002215600000000 ] - [ -0.0002324200000000, -0.0002012900000000, 0.0001361600000000 ] - [ 0.0000628200000000, -0.0000475500000000, -0.0000150700000000 ] - [ -0.0001200700000000, -0.0003576500000000, 0.0003477900000000 ] - [ 0.0000218100000000, -0.0002602000000000, 0.0000120800000000 ] - [ 0.0001575100000000, 0.0000095800000000, -0.0000785100000000 ] - [ -0.0003095300000000, -0.0002019700000000, -0.0002357600000000 ] - [ 0.0002447000000000, 0.0001285000000000, -0.0005569300000000 ] - [ 0.0001730200000000, 0.0001187200000000, 0.0000386800000000 ] - [ -0.0003218800000000, 0.0001702800000000, -0.0002725900000000 ] - [ 0.0000429000000000, -0.0000200200000000, -0.0000048000000000 ] - [ -0.0001451500000000, -0.0001149400000000, -0.0001542300000000 ] - [ 0.0002424800000000, 0.0002441600000000, -0.0000674700000000 ] - [ -0.0002774200000000, 0.0000857900000000, -0.0000531500000000 ] - [ 0.0001544300000000, -0.0000093900000000, -0.0000099000000000 ] - [ 0.0004487400000000, 0.0001436400000000, 0.0000410300000000 ] - [ 0.0001018600000000, 0.0001700800000000, -0.0000338800000000 ] - [ 0.0001616400000000, -0.0005712300000000, -0.0000131400000000 ] - [ -0.0001583100000000, 0.0003980700000000, 0.0002212200000000 ] - [ 0.0000172900000000, 0.0003148500000000, -0.0000345700000000 ] - [ -0.0000380400000000, -0.0002130200000000, 0.0003628300000000 ] - [ 0.0002497100000000, 0.0000785000000000, 0.0001617200000000 ]- atom: 3 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ 0.0000185400000000, -0.0002041400000000, -0.0001387600000000 ] - [ 0.0002586500000000, -0.0001785700000000, 0.0003983200000000 ] - [ -0.0054575200000000, -0.0025003400000000, 0.0127907700000000 ] - [ 0.0001474400000000, -0.0000147600000000, -0.0005835100000000 ] - [ -0.0000577500000000, 0.0000520700000000, 0.0002412900000000 ] - [ -0.0002258100000000, -0.0002562100000000, -0.0007111900000000 ] - [ -0.0000497800000000, -0.0001287500000000, -0.0000206000000000 ] - [ -0.0002202400000000, -0.0000189600000000, -0.0002085300000000 ] - [ -0.0001288400000000, -0.0001230800000000, 0.0001142800000000 ] - [ -0.0000388900000000, -0.0001630000000000, -0.0000183800000000 ] - [ -0.0000141900000000, -0.0001409500000000, 0.0001533000000000 ] - [ -0.0000942500000000, 0.0002159600000000, -0.0001318200000000 ] - [ -0.0002030600000000, 0.0002876700000000, 0.0002626400000000 ] - [ 0.0000094200000000, 0.0001429600000000, -0.0002655500000000 ] - [ 0.0000672200000000, 0.0000457000000000, -0.0000892900000000 ] - [ 0.0000461300000000, 0.0001783900000000, 0.0000319500000000 ] - [ -0.0000498900000000, 0.0010347000000000, 0.0003075700000000 ] - [ 0.0007518700000000, 0.0012189500000000, -0.0009280700000000 ] - [ -0.0006391200000000, 0.0002883400000000, -0.0009681400000000 ] - [ 0.0003618000000000, -0.0000475100000000, 0.0002887600000000 ] - [ 0.0001822000000000, -0.0000833400000000, -0.0003054800000000 ] - [ 0.0000071600000000, 0.0001840900000000, 0.0001365300000000 ] - [ 0.0001212400000000, -0.0000955900000000, -0.0001725200000000 ] - [ -0.0000482900000000, -0.0003186100000000, 0.0000700900000000 ] - [ -0.0010518500000000, -0.0025536500000000, 0.0002967200000000 ] - [ -0.0000361300000000, -0.0001326700000000, -0.0004598000000000 ] - [ -0.0019622600000000, -0.0003571200000000, 0.0012304600000000 ] - [ 0.0002817200000000, -0.0002016700000000, 0.0000707600000000 ] - [ -0.0012633300000000, -0.0013047000000000, -0.0019963000000000 ] - [ -0.0004187000000000, 0.0005868600000000, -0.0000715200000000 ] - [ 0.0000609600000000, 0.0004088900000000, -0.0007550900000000 ] - [ 0.0000447500000000, 0.0030126300000000, 0.0022557000000000 ] - [ -0.0004218700000000, -0.0007016500000000, 0.0000170000000000 ] - [ -0.0002898200000000, -0.0003192200000000, -0.0002001600000000 ] - [ -0.0000417600000000, -0.0001203300000000, -0.0004177300000000 ] - [ 0.0003829600000000, -0.0001210500000000, -0.0001154200000000 ] - [ -0.0000651100000000, 0.0001904200000000, -0.0003991000000000 ] - [ -0.0001858100000000, 0.0005429100000000, -0.0006077300000000 ] - [ -0.0002655900000000, 0.0002428500000000, 0.0000934800000000 ] - [ 0.0004537000000000, 0.0002028200000000, 0.0000375000000000 ] - [ 0.0000848900000000, 0.0000677300000000, -0.0002048400000000 ] - [ 0.0001609900000000, -0.0000237100000000, 0.0001638900000000 ] - [ 0.0007845200000000, 0.0000952300000000, -0.0002997800000000 ] - [ 0.0000062300000000, 0.0004402100000000, 0.0004075300000000 ] - [ -0.0001054900000000, -0.0000222500000000, 0.0003930800000000 ] - [ 0.0001583900000000, 0.0004144900000000, 0.0010667400000000 ] - [ -0.0001601000000000, -0.0003810100000000, 0.0005838900000000 ] - [ 0.0004469100000000, -0.0002923700000000, 0.0000468500000000 ] - [ 0.0000659700000000, -0.0002056400000000, -0.0001297100000000 ] - [ 0.0000685000000000, -0.0001680300000000, 0.0000160700000000 ] - [ 0.0002177500000000, -0.0011699300000000, -0.0004189900000000 ] - [ -0.0002743300000000, -0.0002810200000000, 0.0002210400000000 ] - [ 0.0005007900000000, 0.0000291600000000, -0.0004225500000000 ] - [ 0.0000891600000000, -0.0004850700000000, -0.0004173100000000 ] - [ 0.0018657600000000, -0.0005890000000000, -0.0025600300000000 ] - [ 0.0000784400000000, -0.0001580600000000, -0.0000214200000000 ] - [ -0.0005949300000000, -0.0005206800000000, -0.0006511200000000 ] - [ 0.0002186300000000, -0.0002111100000000, -0.0001293000000000 ] - [ 0.0000146800000000, 0.0000361100000000, 0.0002714800000000 ] - [ -0.0004561800000000, 0.0001082800000000, 0.0001163500000000 ] - [ 0.0001827300000000, 0.0003844500000000, 0.0001035900000000 ] - [ 0.0017897700000000, -0.0003928200000000, -0.0003835500000000 ] - [ 0.0038890600000000, -0.0010844000000000, -0.0021136900000000 ] - [ -0.0002804000000000, -0.0002540200000000, 0.0000017500000000 ] - [ -0.0000503900000000, -0.0000126600000000, 0.0001643200000000 ] - [ 0.0005369000000000, 0.0000846300000000, 0.0002173800000000 ] - [ -0.0002444000000000, 0.0029243600000000, -0.0029177100000000 ] - [ 0.0001387000000000, -0.0001246700000000, -0.0000300500000000 ] - [ -0.0004547700000000, 0.0000161000000000, -0.0002870000000000 ] - [ 0.0000486700000000, 0.0002122400000000, 0.0000739600000000 ] - [ -0.0012579100000000, 0.0015300600000000, -0.0036711100000000 ] - [ 0.0018891300000000, -0.0004201700000000, -0.0010800800000000 ] - [ -0.0000824100000000, 0.0006593200000000, -0.0000926700000000 ] - [ -0.0001098800000000, 0.0000461000000000, -0.0001862200000000 ] - [ 0.0002714600000000, -0.0000356000000000, 0.0001421500000000 ] - [ 0.0000127500000000, 0.0009058300000000, 0.0011749000000000 ] - [ -0.0001827000000000, 0.0000016200000000, 0.0002713400000000 ] - [ -0.0000663800000000, 0.0001940200000000, 0.0003565100000000 ] - [ -0.0001703700000000, -0.0004347000000000, 0.0001829000000000 ] - [ 0.0003899500000000, -0.0001554800000000, 0.0000662200000000 ] - [ 0.0000745300000000, 0.0001566100000000, 0.0001596400000000 ] - [ 0.0000840600000000, 0.0000553400000000, -0.0001413900000000 ] - [ -0.0002321700000000, 0.0000335200000000, 0.0002728800000000 ] - [ -0.0002005600000000, -0.0000678100000000, -0.0001049100000000 ] - [ 0.0000277200000000, 0.0001222700000000, 0.0000144900000000 ] - [ 0.0001201400000000, -0.0005239800000000, 0.0002994000000000 ] - [ -0.0000060700000000, -0.0002648500000000, 0.0000154400000000 ] - [ 0.0001993000000000, 0.0000040000000000, -0.0000145100000000 ] - [ -0.0002906100000000, -0.0001182100000000, -0.0002536300000000 ] - [ 0.0002182500000000, -0.0005590900000000, 0.0003247700000000 ] - [ 0.0001185000000000, 0.0002172600000000, 0.0000169300000000 ] - [ -0.0002781100000000, 0.0001498100000000, -0.0002170700000000 ] - [ 0.0000474900000000, -0.0000545000000000, 0.0000041000000000 ] - [ -0.0000564500000000, 0.0000278600000000, -0.0001602300000000 ] - [ 0.0002203300000000, 0.0001863400000000, -0.0001631500000000 ] - [ -0.0001548000000000, 0.0001827200000000, 0.0000836400000000 ] - [ 0.0002024400000000, -0.0000041200000000, -0.0000827000000000 ] - [ 0.0004063600000000, 0.0001579100000000, 0.0000035000000000 ] - [ 0.0000842200000000, 0.0002208600000000, -0.0000863200000000 ] - [ 0.0001288600000000, 0.0002344800000000, 0.0000689600000000 ] - [ -0.0001951200000000, 0.0004168400000000, 0.0001150400000000 ] - [ -0.0000018400000000, 0.0002107900000000, 0.0000619000000000 ] - [ -0.0001241100000000, -0.0002553400000000, 0.0003392400000000 ] - [ 0.0002216800000000, -0.0000065800000000, 0.0001867300000000 ]- atom: 6 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ 0.0014315400000000, -0.0001227300000000, -0.0001159700000000 ] - [ 0.0002461200000000, -0.0000187500000000, -0.0000682800000000 ] - [ -0.0003024100000000, 0.0000919200000000, 0.0002614200000000 ] - [ -0.0000399200000000, 0.0002764900000000, -0.0000412100000000 ] - [ -0.0001349000000000, 0.0001494500000000, 0.0000828600000000 ] - [ -0.0094999200000000, 0.0009681100000000, 0.0001884700000000 ] - [ 0.0000013400000000, -0.0001096300000000, -0.0002126900000000 ] - [ 0.0000110300000000, 0.0000359400000000, 0.0001825300000000 ] - [ -0.0001487300000000, -0.0002211600000000, 0.0001509700000000 ] - [ -0.0000936100000000, -0.0001888100000000, -0.0000568100000000 ] - [ 0.0000494100000000, -0.0001636200000000, 0.0001343700000000 ] - [ 0.0000003400000000, 0.0001658600000000, -0.0000321300000000 ] - [ -0.0000665200000000, 0.0001701000000000, 0.0002586500000000 ] - [ 0.0000256000000000, 0.0000510600000000, -0.0001939200000000 ] - [ -0.0000740400000000, -0.0000728800000000, -0.0003743400000000 ] - [ -0.0000474100000000, 0.0000406100000000, 0.0000385700000000 ] - [ -0.0000882100000000, -0.0000270500000000, -0.0001436900000000 ] - [ 0.0003617400000000, 0.0003835000000000, -0.0003137300000000 ] - [ 0.0007144200000000, 0.0001317400000000, 0.0003616300000000 ] - [ 0.0002371000000000, -0.0003915700000000, 0.0001202500000000 ] - [ 0.0009106100000000, -0.0001937400000000, -0.0000563500000000 ] - [ 0.0000622400000000, 0.0000949500000000, 0.0001219000000000 ] - [ 0.0000557700000000, -0.0001817100000000, -0.0001970900000000 ] - [ -0.0008035100000000, -0.0010768600000000, 0.0000687300000000 ] - [ 0.0006137700000000, -0.0014266600000000, 0.0019806200000000 ] - [ -0.0002546600000000, -0.0003309000000000, -0.0003359500000000 ] - [ -0.0002805800000000, -0.0016183500000000, 0.0003968800000000 ] - [ -0.0025319000000000, -0.0002320300000000, 0.0002004200000000 ] - [ 0.0000752100000000, 0.0001176100000000, -0.0004080900000000 ] - [ -0.0004398700000000, 0.0006832300000000, -0.0000975700000000 ] - [ 0.0001580100000000, 0.0003074900000000, -0.0000667100000000 ] - [ 0.0003537500000000, 0.0004263400000000, 0.0004368400000000 ] - [ -0.0003383500000000, -0.0007788100000000, -0.0000621000000000 ] - [ 0.0001379200000000, 0.0018107000000000, 0.0007825500000000 ] - [ -0.0001077400000000, -0.0002820000000000, -0.0004555800000000 ] - [ 0.0004183500000000, -0.0002590600000000, 0.0001181900000000 ] - [ -0.0000511100000000, 0.0001126100000000, -0.0003995300000000 ] - [ 0.0006122700000000, 0.0007183300000000, -0.0000052800000000 ] - [ -0.0002867500000000, 0.0002812700000000, -0.0001412400000000 ] - [ 0.0004074700000000, 0.0003664700000000, -0.0004197500000000 ] - [ 0.0001161500000000, 0.0000916200000000, -0.0002076600000000 ] - [ -0.0001310600000000, 0.0000774200000000, -0.0001298800000000 ] - [ 0.0001640200000000, 0.0003269200000000, 0.0002114000000000 ] - [ 0.0000177600000000, 0.0004413800000000, 0.0002948700000000 ] - [ 0.0015828200000000, -0.0013766800000000, 0.0007449500000000 ] - [ -0.0002235500000000, 0.0002802600000000, 0.0002375800000000 ] - [ -0.0004028500000000, -0.0004688200000000, 0.0001152400000000 ] - [ 0.0004888800000000, -0.0001308800000000, 0.0000457500000000 ] - [ 0.0000824800000000, -0.0001596300000000, -0.0001027500000000 ] - [ -0.0003363500000000, -0.0002330300000000, -0.0002679300000000 ] - [ -0.0000824600000000, -0.0000634400000000, 0.0002193300000000 ] - [ -0.0004360700000000, -0.0001500500000000, 0.0000662900000000 ] - [ 0.0016583500000000, -0.0000992200000000, -0.0014826900000000 ] - [ 0.0026378800000000, -0.0006905800000000, -0.0003672400000000 ] - [ 0.0000750300000000, -0.0003901600000000, -0.0001194900000000 ] - [ 0.0001057000000000, 0.0000465500000000, -0.0000125200000000 ] - [ -0.0003836200000000, -0.0002173000000000, -0.0002733300000000 ] - [ 0.0002405700000000, -0.0001887800000000, -0.0001223100000000 ] - [ -0.0002423200000000, 0.0000803000000000, -0.0002821100000000 ] - [ 0.0018610400000000, 0.0023489700000000, -0.0016535200000000 ] - [ 0.0000218300000000, -0.0000862600000000, 0.0000181300000000 ] - [ -0.0001328400000000, -0.0000810800000000, -0.0006941500000000 ] - [ -0.0005576700000000, 0.0003281400000000, -0.0008415900000000 ] - [ -0.0002213100000000, 0.0001005500000000, 0.0000498900000000 ] - [ 0.0003982600000000, 0.0001153200000000, -0.0000315100000000 ] - [ 0.0006151800000000, -0.0000120400000000, 0.0000034700000000 ] - [ 0.0001337100000000, 0.0002147000000000, -0.0001341500000000 ] - [ 0.0001268500000000, -0.0001342100000000, 0.0000259300000000 ] - [ -0.0002247800000000, 0.0008461700000000, 0.0003767800000000 ] - [ 0.0006016200000000, 0.0002340000000000, 0.0000524100000000 ] - [ 0.0000056600000000, -0.0000041700000000, 0.0003295600000000 ] - [ 0.0001469500000000, -0.0001067300000000, 0.0002091800000000 ] - [ -0.0000912700000000, 0.0002899700000000, -0.0005044000000000 ] - [ -0.0001311200000000, 0.0000604400000000, -0.0001490000000000 ] - [ 0.0003586700000000, 0.0002033900000000, 0.0001394300000000 ] - [ -0.0002958800000000, 0.0004856400000000, 0.0008550200000000 ] - [ -0.0001486800000000, 0.0000489200000000, 0.0002507000000000 ] - [ -0.0000844700000000, 0.0002530400000000, 0.0003570800000000 ] - [ -0.0001650600000000, -0.0004084500000000, 0.0001687500000000 ] - [ 0.0000692300000000, -0.0004367800000000, -0.0000010000000000 ] - [ -0.0004075500000000, -0.0006448000000000, -0.0004131600000000 ] - [ 0.0000808000000000, 0.0000420800000000, -0.0001257400000000 ] - [ -0.0003134500000000, -0.0000935000000000, 0.0003440400000000 ] - [ -0.0002129600000000, -0.0000975000000000, 0.0000108000000000 ] - [ 0.0000686400000000, 0.0001243600000000, 0.0000696500000000 ] - [ 0.0000046000000000, -0.0004271100000000, 0.0003403900000000 ] - [ -0.0000081000000000, -0.0005106800000000, 0.0000937000000000 ] - [ 0.0008569600000000, 0.0000227200000000, 0.0000297900000000 ] - [ -0.0001513300000000, -0.0002003400000000, -0.0001267700000000 ] - [ 0.0000981000000000, -0.0002126300000000, -0.0001512600000000 ] - [ 0.0001486300000000, 0.0001948200000000, 0.0000218500000000 ] - [ -0.0003154500000000, 0.0001807500000000, -0.0002435600000000 ] - [ 0.0000717600000000, -0.0000145800000000, -0.0000214700000000 ] - [ -0.0000995700000000, -0.0000254000000000, -0.0001859200000000 ] - [ 0.0001998300000000, 0.0003156300000000, -0.0001062100000000 ] - [ 0.0005473400000000, -0.0004220400000000, -0.0005565900000000 ] - [ 0.0001808200000000, 0.0000142500000000, -0.0000455600000000 ] - [ 0.0004351700000000, 0.0001683300000000, 0.0000279500000000 ] - [ 0.0000842300000000, 0.0001984100000000, -0.0000481000000000 ] - [ 0.0003890200000000, -0.0006321800000000, 0.0014897600000000 ] - [ -0.0001805100000000, 0.0004970400000000, 0.0000133900000000 ] - [ -0.0000071700000000, 0.0003177200000000, -0.0000025700000000 ] - [ -0.0002087300000000, 0.0000243100000000, 0.0003118500000000 ] - [ 0.0002277600000000, 0.0000574500000000, 0.0001914100000000 ]- atom: 6 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0016566200000000, -0.0002234500000000, 0.0004062900000000 ] - [ -0.0003109400000000, -0.0003019300000000, -0.0000542000000000 ] - [ 0.0002651200000000, -0.0003664300000000, -0.0000105500000000 ] - [ -0.0000261400000000, 0.0000438600000000, -0.0000820200000000 ] - [ -0.0000758700000000, 0.0001969400000000, 0.0002037300000000 ] - [ 0.0094481400000000, -0.0008269200000000, -0.0006301600000000 ] - [ -0.0000109600000000, -0.0000821000000000, -0.0001855100000000 ] - [ -0.0000472800000000, 0.0002376900000000, 0.0000686600000000 ] - [ -0.0000623200000000, -0.0001256200000000, 0.0001356800000000 ] - [ 0.0000273700000000, -0.0001324000000000, -0.0000659600000000 ] - [ -0.0000853700000000, -0.0001106000000000, 0.0001171500000000 ] - [ -0.0000656900000000, 0.0001551300000000, -0.0000907500000000 ] - [ -0.0001431800000000, 0.0001766200000000, 0.0000280600000000 ] - [ -0.0000351300000000, 0.0001404000000000, -0.0002044100000000 ] - [ 0.0000632700000000, -0.0001183700000000, -0.0000239700000000 ] - [ 0.0000108800000000, 0.0002331600000000, 0.0002122300000000 ] - [ 0.0002593800000000, 0.0002720700000000, -0.0002077600000000 ] - [ -0.0002959500000000, -0.0000333800000000, 0.0005637400000000 ] - [ -0.0005399700000000, -0.0003719500000000, -0.0007121100000000 ] - [ -0.0001668900000000, 0.0000451300000000, 0.0001292200000000 ] - [ -0.0007372200000000, 0.0004384300000000, -0.0002912500000000 ] - [ 0.0000080600000000, 0.0002496100000000, 0.0001277100000000 ] - [ 0.0001151600000000, -0.0000630500000000, -0.0001539500000000 ] - [ 0.0008671200000000, 0.0007316100000000, 0.0001804500000000 ] - [ -0.0014466400000000, 0.0000314900000000, -0.0021293700000000 ] - [ -0.0002512300000000, -0.0002817000000000, 0.0000710100000000 ] - [ 0.0001341900000000, 0.0014031200000000, -0.0011993600000000 ] - [ 0.0032949300000000, -0.0001788900000000, -0.0000442400000000 ] - [ -0.0002193200000000, 0.0000940500000000, -0.0003950100000000 ] - [ -0.0003945300000000, 0.0007024900000000, -0.0000697200000000 ] - [ -0.0006621200000000, 0.0002958300000000, -0.0001936300000000 ] - [ 0.0004061000000000, -0.0000218000000000, -0.0002838900000000 ] - [ -0.0004958900000000, -0.0006069300000000, -0.0001055500000000 ] - [ -0.0006354500000000, -0.0024293100000000, -0.0010451300000000 ] - [ -0.0000369000000000, 0.0000680300000000, -0.0003458300000000 ] - [ 0.0003415200000000, -0.0001451500000000, 0.0000338300000000 ] - [ -0.0000926800000000, 0.0001011400000000, -0.0004022200000000 ] - [ -0.0014471900000000, 0.0006636600000000, -0.0001608800000000 ] - [ -0.0002190900000000, 0.0003312900000000, -0.0001229100000000 ] - [ 0.0003523800000000, 0.0000370000000000, 0.0005723600000000 ] - [ 0.0000236200000000, -0.0001422100000000, -0.0000640400000000 ] - [ -0.0000705400000000, 0.0000081700000000, -0.0001849800000000 ] - [ 0.0003077000000000, -0.0003976000000000, 0.0001372800000000 ] - [ -0.0000173900000000, 0.0004413800000000, 0.0003523500000000 ] - [ -0.0019233800000000, 0.0014468900000000, -0.0002830900000000 ] - [ 0.0000592500000000, 0.0001872900000000, 0.0004640300000000 ] - [ 0.0000489600000000, -0.0003448800000000, 0.0002211700000000 ] - [ 0.0003663700000000, -0.0001712700000000, -0.0000001200000000 ] - [ 0.0001038800000000, -0.0002296900000000, -0.0000167800000000 ] - [ 0.0004794600000000, 0.0002857500000000, -0.0000034600000000 ] - [ -0.0002328600000000, 0.0000270100000000, 0.0002737900000000 ] - [ 0.0000036100000000, -0.0001075500000000, -0.0000286800000000 ] - [ -0.0015963300000000, 0.0002106900000000, 0.0015177500000000 ] - [ -0.0025273700000000, -0.0002225300000000, 0.0010167200000000 ] - [ -0.0000590200000000, -0.0001338500000000, 0.0001466000000000 ] - [ 0.0002511600000000, -0.0000336300000000, -0.0000787800000000 ] - [ -0.0002161100000000, -0.0001025500000000, -0.0002175900000000 ] - [ 0.0002222800000000, -0.0002417100000000, -0.0001087200000000 ] - [ 0.0005305100000000, 0.0002560400000000, 0.0003359700000000 ] - [ -0.0024441100000000, -0.0019908300000000, 0.0011246000000000 ] - [ 0.0000686100000000, 0.0000111000000000, -0.0000183600000000 ] - [ -0.0000700300000000, -0.0000046700000000, 0.0003799000000000 ] - [ 0.0010186800000000, 0.0001023700000000, 0.0006045000000000 ] - [ -0.0002114500000000, 0.0001662100000000, -0.0000192100000000 ] - [ -0.0000395300000000, -0.0001266500000000, -0.0000611200000000 ] - [ 0.0002374700000000, 0.0003154800000000, 0.0000412200000000 ] - [ 0.0000528300000000, 0.0001751800000000, 0.0000152900000000 ] - [ 0.0001654300000000, -0.0002027600000000, 0.0000298200000000 ] - [ -0.0001286900000000, -0.0000337500000000, -0.0000415600000000 ] - [ -0.0005865500000000, 0.0002897500000000, -0.0000229400000000 ] - [ -0.0001691000000000, -0.0004619500000000, 0.0003734400000000 ] - [ 0.0003264700000000, 0.0001782400000000, 0.0001386000000000 ] - [ 0.0002341400000000, -0.0003403600000000, 0.0002309700000000 ] - [ -0.0000709700000000, 0.0000256200000000, -0.0001662600000000 ] - [ 0.0001136500000000, -0.0002728600000000, 0.0002089400000000 ] - [ 0.0002972100000000, 0.0003972600000000, -0.0002092300000000 ] - [ -0.0001667100000000, -0.0000125800000000, 0.0002425900000000 ] - [ -0.0000784900000000, 0.0002138700000000, 0.0003453700000000 ] - [ -0.0001890700000000, -0.0004052600000000, 0.0001667200000000 ] - [ 0.0007852100000000, 0.0001360500000000, 0.0000451000000000 ] - [ 0.0005912900000000, 0.0002545000000000, 0.0002904900000000 ] - [ 0.0000591900000000, 0.0000087500000000, -0.0001460100000000 ] - [ -0.0000032900000000, 0.0000563700000000, 0.0001493600000000 ] - [ -0.0002199400000000, -0.0001693500000000, 0.0000192200000000 ] - [ 0.0000221200000000, -0.0000491200000000, -0.0000704000000000 ] - [ -0.0000039000000000, -0.0004558700000000, 0.0003066800000000 ] - [ 0.0000234900000000, -0.0000129900000000, -0.0000657700000000 ] - [ -0.0004992700000000, -0.0000027300000000, -0.0001170700000000 ] - [ -0.0004487500000000, -0.0001191900000000, -0.0003635400000000 ] - [ 0.0003647900000000, -0.0002172800000000, -0.0000792900000000 ] - [ 0.0001437200000000, 0.0001423900000000, 0.0000336900000000 ] - [ -0.0002843300000000, 0.0001389900000000, -0.0002471400000000 ] - [ 0.0000184900000000, -0.0000597300000000, 0.0000204100000000 ] - [ -0.0001015500000000, -0.0000604300000000, -0.0001294800000000 ] - [ 0.0002631900000000, 0.0001144100000000, -0.0001242300000000 ] - [ -0.0010000900000000, 0.0006756900000000, 0.0006122400000000 ] - [ 0.0001761400000000, -0.0000272000000000, -0.0000460200000000 ] - [ 0.0004198800000000, 0.0001338100000000, 0.0000174000000000 ] - [ 0.0001022000000000, 0.0001912000000000, -0.0000713800000000 ] - [ -0.0000940300000000, 0.0002880800000000, -0.0014158400000000 ] - [ -0.0001736800000000, 0.0003163800000000, 0.0003212800000000 ] - [ 0.0000226800000000, 0.0002063700000000, 0.0000301700000000 ] - [ 0.0000457800000000, -0.0004902400000000, 0.0003900000000000 ] - [ 0.0002440300000000, 0.0000131900000000, 0.0001576700000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002020800000000, -0.0008095100000000, 0.0001982000000000 ] - [ -0.0002264800000000, -0.0002219600000000, -0.0000319000000000 ] - [ 0.0002138300000000, -0.0000062000000000, 0.0005786700000000 ] - [ 0.0000158000000000, 0.0003688700000000, -0.0000710800000000 ] - [ -0.0001075900000000, 0.0003029000000000, 0.0002022100000000 ] - [ 0.0008966600000000, -0.0120842100000000, 0.0040572800000000 ] - [ 0.0000089200000000, 0.0000276400000000, -0.0001596500000000 ] - [ -0.0000417800000000, 0.0003355000000000, 0.0000820700000000 ] - [ -0.0000544200000000, -0.0000044500000000, 0.0001296500000000 ] - [ -0.0000137400000000, 0.0000343300000000, -0.0001309000000000 ] - [ -0.0000430400000000, 0.0000530100000000, 0.0000666300000000 ] - [ 0.0000722400000000, 0.0003047800000000, 0.0001358200000000 ] - [ -0.0000667700000000, 0.0000773000000000, 0.0000759900000000 ] - [ -0.0000494000000000, 0.0002471700000000, -0.0002094800000000 ] - [ -0.0000269100000000, -0.0002025800000000, -0.0004402400000000 ] - [ -0.0000772400000000, 0.0002148300000000, 0.0002549000000000 ] - [ 0.0002467100000000, 0.0008542600000000, -0.0000609000000000 ] - [ 0.0009650000000000, -0.0009643700000000, -0.0008056700000000 ] - [ -0.0008097100000000, -0.0011336900000000, -0.0010964500000000 ] - [ -0.0001047400000000, 0.0002852000000000, 0.0001142400000000 ] - [ 0.0003576100000000, 0.0002578000000000, -0.0005724300000000 ] - [ 0.0000522300000000, 0.0005096700000000, 0.0001693000000000 ] - [ 0.0000764100000000, 0.0001973100000000, -0.0001213000000000 ] - [ -0.0011605400000000, 0.0006501400000000, -0.0011651700000000 ] - [ -0.0012390300000000, -0.0023051600000000, -0.0000940200000000 ] - [ -0.0002103700000000, -0.0000983400000000, 0.0001721900000000 ] - [ -0.0003862000000000, 0.0013037300000000, -0.0005895900000000 ] - [ 0.0001706000000000, 0.0003384500000000, -0.0017420500000000 ] - [ -0.0000449700000000, 0.0004008300000000, -0.0002150500000000 ] - [ -0.0003581000000000, 0.0009148200000000, -0.0000187700000000 ] - [ -0.0002236500000000, -0.0015808600000000, 0.0000621800000000 ] - [ 0.0003596000000000, 0.0003012500000000, -0.0000878700000000 ] - [ -0.0004981200000000, -0.0004612200000000, -0.0001011200000000 ] - [ 0.0020416200000000, 0.0000586100000000, -0.0016604300000000 ] - [ -0.0002306000000000, 0.0000807800000000, -0.0007120400000000 ] - [ 0.0003562700000000, -0.0000954900000000, 0.0001217500000000 ] - [ -0.0000668500000000, 0.0003087000000000, -0.0003146900000000 ] - [ -0.0005818500000000, 0.0009073600000000, -0.0001952000000000 ] - [ -0.0002211000000000, 0.0004649500000000, -0.0002680400000000 ] - [ 0.0003322600000000, 0.0009478900000000, 0.0000276200000000 ] - [ 0.0000889500000000, -0.0003223400000000, -0.0000834000000000 ] - [ -0.0001551100000000, 0.0000966500000000, -0.0002001300000000 ] - [ 0.0003927400000000, -0.0003308600000000, 0.0001846600000000 ] - [ -0.0000126300000000, 0.0004401000000000, 0.0003177100000000 ] - [ -0.0011299400000000, 0.0018929800000000, -0.0001572200000000 ] - [ 0.0000608200000000, 0.0000609600000000, 0.0005362900000000 ] - [ -0.0001432200000000, -0.0003332700000000, 0.0002477400000000 ] - [ 0.0003449900000000, -0.0002878800000000, -0.0000140200000000 ] - [ 0.0001000500000000, -0.0003365700000000, -0.0000257300000000 ] - [ 0.0003411800000000, 0.0002232100000000, 0.0000306600000000 ] - [ -0.0002126600000000, -0.0001183600000000, 0.0002372200000000 ] - [ -0.0002082900000000, 0.0017548400000000, 0.0011663400000000 ] - [ -0.0007159300000000, -0.0003469700000000, 0.0008472200000000 ] - [ -0.0002936100000000, -0.0005709400000000, 0.0005815900000000 ] - [ 0.0000197700000000, -0.0003213400000000, 0.0000153600000000 ] - [ 0.0002116400000000, -0.0001098600000000, -0.0000733000000000 ] - [ -0.0002956000000000, -0.0002423400000000, -0.0002483000000000 ] - [ 0.0002312100000000, -0.0003734700000000, -0.0000814400000000 ] - [ -0.0000544400000000, 0.0004086500000000, 0.0001628500000000 ] - [ 0.0016221700000000, 0.0032082200000000, -0.0017738400000000 ] - [ 0.0000525700000000, -0.0000385100000000, -0.0000402700000000 ] - [ -0.0000022800000000, 0.0000724200000000, 0.0001224500000000 ] - [ -0.0000890700000000, 0.0010404800000000, -0.0003391100000000 ] - [ -0.0002316400000000, -0.0000702000000000, -0.0001222200000000 ] - [ 0.0003686400000000, 0.0005702000000000, 0.0001843000000000 ] - [ 0.0002651300000000, 0.0007056500000000, 0.0001520100000000 ] - [ 0.0001053600000000, 0.0002013200000000, -0.0000232000000000 ] - [ 0.0001605200000000, -0.0003775200000000, 0.0000014000000000 ] - [ -0.0001011300000000, 0.0001356500000000, 0.0000227300000000 ] - [ 0.0000521700000000, 0.0001521400000000, 0.0005431900000000 ] - [ 0.0000493900000000, -0.0007418200000000, 0.0001624600000000 ] - [ 0.0000379800000000, -0.0001304200000000, 0.0003799000000000 ] - [ 0.0002029400000000, 0.0003631200000000, 0.0000246700000000 ] - [ -0.0001026000000000, 0.0001451100000000, -0.0000639100000000 ] - [ 0.0004318300000000, -0.0001728300000000, 0.0002540100000000 ] - [ 0.0001077700000000, 0.0004085300000000, -0.0002287400000000 ] - [ -0.0001585300000000, -0.0000638900000000, 0.0002297400000000 ] - [ -0.0000560600000000, 0.0001122800000000, 0.0003214100000000 ] - [ -0.0002186300000000, -0.0004328600000000, 0.0000724100000000 ] - [ -0.0000002200000000, -0.0002454700000000, 0.0002597200000000 ] - [ 0.0001955700000000, 0.0002511600000000, 0.0001320700000000 ] - [ 0.0000422200000000, -0.0001832200000000, -0.0001785800000000 ] - [ -0.0004816700000000, -0.0002701000000000, 0.0004799900000000 ] - [ -0.0002108500000000, -0.0003132600000000, 0.0000950600000000 ] - [ 0.0000952200000000, -0.0001608900000000, 0.0000676500000000 ] - [ 0.0000415200000000, -0.0004823100000000, 0.0003701100000000 ] - [ -0.0000547100000000, -0.0006633500000000, 0.0000254800000000 ] - [ 0.0004084800000000, 0.0038986400000000, 0.0012009300000000 ] - [ -0.0003214300000000, -0.0003892200000000, 0.0000554100000000 ] - [ 0.0002141900000000, -0.0000165200000000, -0.0001261500000000 ] - [ 0.0001436500000000, 0.0000048800000000, 0.0000333500000000 ] - [ -0.0002999800000000, 0.0000799300000000, -0.0002673800000000 ] - [ 0.0000455900000000, -0.0003100900000000, -0.0000251100000000 ] - [ -0.0000632800000000, -0.0000305800000000, -0.0000955900000000 ] - [ 0.0002015600000000, 0.0001245600000000, -0.0001891400000000 ] - [ -0.0002902600000000, 0.0003972600000000, 0.0003817700000000 ] - [ 0.0001578100000000, -0.0000914100000000, -0.0000440900000000 ] - [ 0.0004385400000000, 0.0000656000000000, 0.0000348200000000 ] - [ 0.0000945700000000, 0.0001232100000000, -0.0000828200000000 ] - [ -0.0004392500000000, 0.0010961000000000, -0.0017274600000000 ] - [ -0.0001860200000000, 0.0004474400000000, 0.0001694300000000 ] - [ 0.0000157500000000, 0.0001424500000000, 0.0000179100000000 ] - [ -0.0001435600000000, -0.0004204200000000, 0.0003827800000000 ] - [ 0.0002096500000000, -0.0001047000000000, 0.0001217000000000 ]- atom: 6 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000062100000000, 0.0004627100000000, 0.0000874500000000 ] - [ 0.0001606900000000, -0.0000998800000000, -0.0000911400000000 ] - [ -0.0002493300000000, -0.0002675400000000, -0.0003241000000000 ] - [ -0.0000815100000000, -0.0000480800000000, -0.0000530100000000 ] - [ -0.0001032100000000, 0.0000434300000000, 0.0000844600000000 ] - [ -0.0008708200000000, 0.0123786400000000, -0.0043925700000000 ] - [ -0.0000185500000000, -0.0002193300000000, -0.0002383100000000 ] - [ 0.0000053700000000, -0.0000618500000000, 0.0001681600000000 ] - [ -0.0001565500000000, -0.0003421000000000, 0.0001571600000000 ] - [ -0.0000522100000000, -0.0003558100000000, 0.0000078400000000 ] - [ 0.0000069000000000, -0.0003271700000000, 0.0001843100000000 ] - [ -0.0001382400000000, 0.0000164000000000, -0.0002590400000000 ] - [ -0.0001435500000000, 0.0002696200000000, 0.0002106700000000 ] - [ 0.0000397400000000, -0.0000555200000000, -0.0001887300000000 ] - [ 0.0000168500000000, 0.0000113700000000, 0.0000427500000000 ] - [ 0.0000411900000000, 0.0000591900000000, -0.0000041200000000 ] - [ -0.0000744200000000, -0.0006039200000000, -0.0002878900000000 ] - [ -0.0008941700000000, 0.0013096700000000, 0.0010549900000000 ] - [ 0.0009792400000000, 0.0008889000000000, 0.0007436300000000 ] - [ 0.0001746400000000, -0.0006315900000000, 0.0001358100000000 ] - [ -0.0001866100000000, -0.0000124100000000, 0.0002234100000000 ] - [ 0.0000178800000000, -0.0001652200000000, 0.0000806300000000 ] - [ 0.0000949400000000, -0.0004418800000000, -0.0002297000000000 ] - [ 0.0012373400000000, -0.0010014800000000, 0.0014256600000000 ] - [ 0.0003972500000000, 0.0009153500000000, -0.0000791300000000 ] - [ -0.0002949000000000, -0.0005149400000000, -0.0004358100000000 ] - [ 0.0002317600000000, -0.0015198900000000, -0.0002029400000000 ] - [ 0.0005915200000000, -0.0007401400000000, 0.0018910600000000 ] - [ -0.0000991100000000, -0.0001914100000000, -0.0005872200000000 ] - [ -0.0004767700000000, 0.0004737600000000, -0.0001485800000000 ] - [ -0.0002816100000000, 0.0021856500000000, -0.0003198500000000 ] - [ 0.0004005200000000, 0.0001040100000000, 0.0002393900000000 ] - [ -0.0003366000000000, -0.0009271900000000, -0.0000661000000000 ] - [ -0.0025603700000000, -0.0006733900000000, 0.0014066200000000 ] - [ 0.0000878900000000, -0.0002919100000000, -0.0000889700000000 ] - [ 0.0004034300000000, -0.0003093000000000, 0.0000292400000000 ] - [ -0.0000765600000000, -0.0000980500000000, -0.0004864500000000 ] - [ -0.0002533300000000, 0.0004827700000000, 0.0000275100000000 ] - [ -0.0002848000000000, 0.0001487200000000, 0.0000044600000000 ] - [ 0.0004291400000000, -0.0005491200000000, 0.0001236300000000 ] - [ 0.0000497600000000, 0.0002708300000000, -0.0001891500000000 ] - [ -0.0000469600000000, -0.0000128500000000, -0.0001155100000000 ] - [ 0.0000809300000000, 0.0002623700000000, 0.0001641700000000 ] - [ 0.0000130000000000, 0.0004438900000000, 0.0003299800000000 ] - [ 0.0007812500000000, -0.0018283100000000, 0.0006134000000000 ] - [ -0.0002247000000000, 0.0004048500000000, 0.0001664800000000 ] - [ -0.0002107000000000, -0.0004778800000000, 0.0000871200000000 ] - [ 0.0005092700000000, -0.0000153300000000, 0.0000601900000000 ] - [ 0.0000864400000000, -0.0000518300000000, -0.0000931900000000 ] - [ -0.0002017800000000, -0.0001711800000000, -0.0003018400000000 ] - [ -0.0001035800000000, 0.0000815300000000, 0.0002540600000000 ] - [ -0.0002245700000000, -0.0020153900000000, -0.0011553000000000 ] - [ 0.0007810100000000, 0.0004451800000000, -0.0008258400000000 ] - [ 0.0002989000000000, -0.0003097700000000, 0.0000678000000000 ] - [ -0.0000036400000000, -0.0002014300000000, 0.0000117000000000 ] - [ 0.0001451600000000, 0.0001221300000000, -0.0000170800000000 ] - [ -0.0003043000000000, -0.0000774300000000, -0.0002435500000000 ] - [ 0.0002317000000000, -0.0000578200000000, -0.0001494100000000 ] - [ 0.0003469300000000, -0.0000696800000000, -0.0001060200000000 ] - [ -0.0021694300000000, -0.0028389600000000, 0.0012128300000000 ] - [ 0.0000381000000000, -0.0000365500000000, 0.0000393500000000 ] - [ -0.0001997300000000, -0.0001553300000000, -0.0004400300000000 ] - [ 0.0005532600000000, -0.0006071800000000, 0.0001100300000000 ] - [ -0.0002011400000000, 0.0003355900000000, 0.0001525600000000 ] - [ -0.0000106800000000, -0.0005812900000000, -0.0002747800000000 ] - [ 0.0005886300000000, -0.0004014700000000, -0.0001056200000000 ] - [ 0.0000812800000000, 0.0001862500000000, -0.0000959300000000 ] - [ 0.0001331100000000, 0.0000388200000000, 0.0000546500000000 ] - [ -0.0002523500000000, 0.0006765800000000, 0.0003120200000000 ] - [ -0.0000370000000000, 0.0003730500000000, -0.0005171200000000 ] - [ -0.0002106200000000, 0.0002718500000000, 0.0005366200000000 ] - [ 0.0004351700000000, 0.0002010700000000, -0.0000311600000000 ] - [ -0.0000624600000000, -0.0004147500000000, -0.0002962900000000 ] - [ -0.0000996400000000, -0.0000604900000000, -0.0002516900000000 ] - [ 0.0000390800000000, 0.0001036700000000, 0.0000947400000000 ] - [ -0.0001068800000000, 0.0004745500000000, 0.0008743000000000 ] - [ -0.0001570800000000, 0.0001001200000000, 0.0002621500000000 ] - [ -0.0001076800000000, 0.0003535000000000, 0.0003810900000000 ] - [ -0.0001359600000000, -0.0003793000000000, 0.0002626400000000 ] - [ 0.0008568200000000, -0.0000575900000000, -0.0002161500000000 ] - [ -0.0000085300000000, -0.0006388800000000, -0.0002525300000000 ] - [ 0.0000963700000000, 0.0002350500000000, -0.0000936900000000 ] - [ 0.0001673800000000, 0.0002342500000000, 0.0000106800000000 ] - [ -0.0002219500000000, 0.0000475400000000, -0.0000651800000000 ] - [ -0.0000048100000000, 0.0002359100000000, -0.0000689800000000 ] - [ -0.0000400800000000, -0.0004020500000000, 0.0002774600000000 ] - [ 0.0000697900000000, 0.0001405600000000, 0.0000034900000000 ] - [ -0.0000847200000000, -0.0040784500000000, -0.0012910000000000 ] - [ -0.0002773700000000, 0.0000708900000000, -0.0005491700000000 ] - [ 0.0002487000000000, -0.0004149000000000, -0.0001041100000000 ] - [ 0.0001500700000000, 0.0003338500000000, 0.0000226100000000 ] - [ -0.0002994800000000, 0.0002395700000000, -0.0002241700000000 ] - [ 0.0000449200000000, 0.0002367300000000, 0.0000236700000000 ] - [ -0.0001385900000000, -0.0000539300000000, -0.0002200900000000 ] - [ 0.0002613200000000, 0.0003058200000000, -0.0000412800000000 ] - [ -0.0001446000000000, -0.0001374700000000, -0.0003507900000000 ] - [ 0.0001994100000000, 0.0000790400000000, -0.0000464900000000 ] - [ 0.0004162700000000, 0.0002370000000000, 0.0000111400000000 ] - [ 0.0000921000000000, 0.0002645400000000, -0.0000362800000000 ] - [ 0.0007433000000000, -0.0014326000000000, 0.0018042900000000 ] - [ -0.0001682600000000, 0.0003636400000000, 0.0001656900000000 ] - [ 0.0000001600000000, 0.0003797600000000, 0.0000099000000000 ] - [ -0.0000199100000000, -0.0000457700000000, 0.0003199100000000 ] - [ 0.0002627200000000, 0.0001748400000000, 0.0002275000000000 ]- atom: 6 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0006882400000000, -0.0001097800000000, -0.0002184000000000 ] - [ -0.0001638200000000, -0.0001739600000000, 0.0003135100000000 ] - [ 0.0001946600000000, 0.0002409000000000, 0.0006351300000000 ] - [ -0.0000599400000000, -0.0001469900000000, -0.0002235300000000 ] - [ -0.0000710400000000, 0.0001385100000000, 0.0002400600000000 ] - [ 0.0035328800000000, 0.0037729400000000, -0.0132659100000000 ] - [ -0.0000199700000000, -0.0001285200000000, -0.0001285100000000 ] - [ 0.0000115400000000, -0.0001041900000000, -0.0000587800000000 ] - [ -0.0000964200000000, -0.0001716400000000, 0.0000994100000000 ] - [ -0.0000107400000000, -0.0002250500000000, -0.0000008000000000 ] - [ -0.0000434600000000, -0.0001966900000000, 0.0001882100000000 ] - [ -0.0000564900000000, 0.0001516000000000, -0.0002145900000000 ] - [ 0.0000847800000000, 0.0004278400000000, 0.0003879200000000 ] - [ -0.0000097600000000, 0.0001006900000000, -0.0002443200000000 ] - [ -0.0001496500000000, 0.0001247900000000, 0.0003441100000000 ] - [ -0.0000118900000000, 0.0001899100000000, 0.0000429300000000 ] - [ 0.0002255500000000, 0.0002776500000000, -0.0001202800000000 ] - [ -0.0010885800000000, 0.0003866400000000, 0.0008894900000000 ] - [ 0.0008885800000000, 0.0001001500000000, 0.0002017700000000 ] - [ -0.0001162400000000, 0.0000439500000000, 0.0002136900000000 ] - [ -0.0003012600000000, 0.0000302400000000, -0.0003009100000000 ] - [ 0.0000344700000000, 0.0001739400000000, 0.0001087500000000 ] - [ 0.0000892100000000, -0.0001347100000000, -0.0001800800000000 ] - [ 0.0003479900000000, -0.0010862400000000, -0.0001641400000000 ] - [ 0.0012030500000000, -0.0004604600000000, -0.0012953400000000 ] - [ -0.0002552900000000, -0.0003269200000000, -0.0000938400000000 ] - [ 0.0004005600000000, 0.0018973500000000, -0.0010346900000000 ] - [ 0.0014626400000000, -0.0013548100000000, 0.0016742200000000 ] - [ -0.0000487800000000, -0.0001006300000000, -0.0006292900000000 ] - [ -0.0003821700000000, 0.0005622700000000, -0.0000797400000000 ] - [ -0.0003651600000000, -0.0020529700000000, 0.0015984800000000 ] - [ 0.0003835900000000, 0.0001696500000000, 0.0001317700000000 ] - [ -0.0004924400000000, -0.0006915600000000, -0.0000771700000000 ] - [ -0.0003645700000000, -0.0030280700000000, -0.0019490000000000 ] - [ -0.0000664800000000, -0.0001128600000000, -0.0004217000000000 ] - [ 0.0003599300000000, -0.0001917600000000, -0.0000367900000000 ] - [ -0.0000739500000000, 0.0002372900000000, -0.0003654000000000 ] - [ -0.0007246800000000, 0.0009453200000000, 0.0001349800000000 ] - [ -0.0002486400000000, 0.0002637000000000, -0.0000248600000000 ] - [ 0.0002359600000000, -0.0000315100000000, 0.0004159700000000 ] - [ 0.0000124900000000, -0.0000511200000000, -0.0000789300000000 ] - [ -0.0001286100000000, 0.0000418600000000, -0.0001664200000000 ] - [ 0.0003620000000000, -0.0006561700000000, 0.0001031300000000 ] - [ -0.0000218800000000, 0.0004353900000000, 0.0004421700000000 ] - [ -0.0001111300000000, -0.0004202200000000, 0.0003424800000000 ] - [ -0.0002142700000000, 0.0003937900000000, 0.0002645200000000 ] - [ -0.0000576500000000, -0.0004921100000000, 0.0001564500000000 ] - [ 0.0003899100000000, -0.0001705500000000, 0.0000228000000000 ] - [ 0.0001072200000000, -0.0002167300000000, -0.0000054900000000 ] - [ 0.0000664100000000, -0.0001221200000000, -0.0003198300000000 ] - [ -0.0001944900000000, -0.0000175200000000, 0.0002191300000000 ] - [ 0.0000059400000000, 0.0018898800000000, 0.0016703200000000 ] - [ -0.0019996500000000, 0.0003690300000000, 0.0019671500000000 ] - [ -0.0012224600000000, -0.0003360500000000, 0.0001748000000000 ] - [ -0.0000174900000000, -0.0002627900000000, -0.0000412200000000 ] - [ 0.0002449900000000, -0.0000574900000000, -0.0000602300000000 ] - [ -0.0002561200000000, -0.0001410900000000, -0.0002893800000000 ] - [ 0.0001973200000000, -0.0002652800000000, -0.0001553700000000 ] - [ 0.0001271300000000, 0.0000762000000000, 0.0002340400000000 ] - [ -0.0023066200000000, -0.0024197700000000, 0.0013297500000000 ] - [ 0.0000391800000000, 0.0001233600000000, 0.0000025900000000 ] - [ -0.0000688300000000, -0.0001112100000000, 0.0003850000000000 ] - [ -0.0002418800000000, 0.0001761800000000, 0.0000365600000000 ] - [ -0.0002159500000000, 0.0001409200000000, 0.0000205900000000 ] - [ 0.0006830400000000, 0.0003085700000000, -0.0006227300000000 ] - [ -0.0001863600000000, 0.0005664800000000, -0.0004548100000000 ] - [ 0.0000424000000000, 0.0002698000000000, -0.0001627300000000 ] - [ 0.0001796600000000, -0.0001387700000000, 0.0000183500000000 ] - [ -0.0001599900000000, -0.0000016900000000, -0.0000845500000000 ] - [ -0.0002302000000000, 0.0008077300000000, -0.0005080500000000 ] - [ -0.0001286800000000, -0.0006367700000000, 0.0003067900000000 ] - [ 0.0004197300000000, 0.0002155500000000, 0.0000603100000000 ] - [ -0.0003731000000000, -0.0000739700000000, 0.0001990100000000 ] - [ -0.0001027900000000, -0.0000222400000000, -0.0002933300000000 ] - [ 0.0002256200000000, -0.0001105000000000, 0.0002058600000000 ] - [ 0.0000067200000000, 0.0004571600000000, 0.0009485300000000 ] - [ -0.0001511500000000, 0.0000258400000000, 0.0002598100000000 ] - [ -0.0000582400000000, 0.0001185600000000, 0.0003702500000000 ] - [ -0.0001790300000000, -0.0004802800000000, 0.0002454800000000 ] - [ 0.0007401300000000, 0.0001771100000000, 0.0002666800000000 ] - [ 0.0001854800000000, 0.0001164800000000, 0.0003369900000000 ] - [ 0.0001000100000000, 0.0001286300000000, -0.0001577500000000 ] - [ -0.0000371000000000, 0.0001551500000000, 0.0002271700000000 ] - [ -0.0002201300000000, -0.0000916000000000, -0.0000416100000000 ] - [ 0.0000459800000000, 0.0000829600000000, 0.0000221200000000 ] - [ -0.0000003900000000, -0.0004864900000000, 0.0002629000000000 ] - [ 0.0000370800000000, 0.0001463200000000, 0.0000190700000000 ] - [ -0.0002154600000000, 0.0007728500000000, 0.0004580000000000 ] - [ -0.0003062000000000, 0.0000318200000000, -0.0003191100000000 ] - [ 0.0003290100000000, -0.0004078900000000, -0.0001597800000000 ] - [ 0.0001294900000000, 0.0002587400000000, 0.0000237400000000 ] - [ -0.0002967200000000, 0.0001722800000000, -0.0002235300000000 ] - [ 0.0000342400000000, 0.0002105800000000, -0.0000427900000000 ] - [ -0.0001575600000000, 0.0000204900000000, -0.0001807800000000 ] - [ 0.0002744000000000, 0.0001255900000000, -0.0001149200000000 ] - [ -0.0009483600000000, 0.0010236000000000, 0.0015893000000000 ] - [ 0.0001759300000000, -0.0000103500000000, -0.0000609800000000 ] - [ 0.0004321200000000, 0.0001547600000000, 0.0000090700000000 ] - [ 0.0000973600000000, 0.0002392200000000, -0.0000964500000000 ] - [ 0.0016114100000000, -0.0017447500000000, 0.0040717000000000 ] - [ -0.0002347800000000, 0.0004298600000000, 0.0002078500000000 ] - [ 0.0000127900000000, 0.0002368500000000, 0.0000738100000000 ] - [ -0.0000304900000000, -0.0002771900000000, 0.0003788300000000 ] - [ 0.0002128300000000, -0.0000828900000000, 0.0002153500000000 ]- atom: 6 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ 0.0004763900000000, -0.0002367400000000, 0.0005028700000000 ] - [ 0.0000979000000000, -0.0001477400000000, -0.0004368100000000 ] - [ -0.0002291900000000, -0.0005126000000000, -0.0003826200000000 ] - [ -0.0000058400000000, 0.0004681300000000, 0.0001003000000000 ] - [ -0.0001395600000000, 0.0002077000000000, 0.0000464100000000 ] - [ -0.0035451400000000, -0.0036273900000000, 0.0128807000000000 ] - [ 0.0000101300000000, -0.0000632500000000, -0.0002697900000000 ] - [ -0.0000477900000000, 0.0003783800000000, 0.0003097000000000 ] - [ -0.0001142800000000, -0.0001746800000000, 0.0001873700000000 ] - [ -0.0000551200000000, -0.0000962600000000, -0.0001223200000000 ] - [ 0.0000071000000000, -0.0000776300000000, 0.0000629300000000 ] - [ -0.0000092200000000, 0.0001698100000000, 0.0000919200000000 ] - [ -0.0002958500000000, -0.0000820600000000, -0.0001022300000000 ] - [ -0.0000001100000000, 0.0000911000000000, -0.0001539200000000 ] - [ 0.0001396400000000, -0.0003171000000000, -0.0007431800000000 ] - [ -0.0000242900000000, 0.0000844500000000, 0.0002086000000000 ] - [ -0.0000540700000000, -0.0000321300000000, -0.0002305100000000 ] - [ 0.0011595300000000, -0.0000368300000000, -0.0006409500000000 ] - [ -0.0007160600000000, -0.0003430100000000, -0.0005507700000000 ] - [ 0.0001861400000000, -0.0003891600000000, 0.0000366700000000 ] - [ 0.0004722100000000, 0.0002154200000000, -0.0000509900000000 ] - [ 0.0000354700000000, 0.0001706600000000, 0.0001407100000000 ] - [ 0.0000820900000000, -0.0001100600000000, -0.0001707800000000 ] - [ -0.0002804700000000, 0.0007399300000000, 0.0004091500000000 ] - [ -0.0020431800000000, -0.0009209300000000, 0.0011202700000000 ] - [ -0.0002508100000000, -0.0002857900000000, -0.0001694500000000 ] - [ -0.0005424900000000, -0.0021105300000000, 0.0002359300000000 ] - [ -0.0007085600000000, 0.0009603700000000, -0.0015280600000000 ] - [ -0.0000952000000000, 0.0003117800000000, -0.0001732300000000 ] - [ -0.0004524200000000, 0.0008241800000000, -0.0000877300000000 ] - [ -0.0001402700000000, 0.0026715400000000, -0.0018761000000000 ] - [ 0.0003763800000000, 0.0002340200000000, 0.0000190400000000 ] - [ -0.0003418200000000, -0.0006946000000000, -0.0000903900000000 ] - [ -0.0001348600000000, 0.0024041300000000, 0.0016691700000000 ] - [ -0.0000775700000000, -0.0000998500000000, -0.0003811600000000 ] - [ 0.0003997800000000, -0.0002124000000000, 0.0001883100000000 ] - [ -0.0000700200000000, -0.0000252300000000, -0.0004364400000000 ] - [ -0.0001048000000000, 0.0004413400000000, -0.0003017700000000 ] - [ -0.0002571000000000, 0.0003493200000000, -0.0002390600000000 ] - [ 0.0005239700000000, 0.0004352800000000, -0.0002618200000000 ] - [ 0.0001270000000000, 0.0000002300000000, -0.0001931400000000 ] - [ -0.0000737700000000, 0.0000427400000000, -0.0001489900000000 ] - [ 0.0001107100000000, 0.0005821800000000, 0.0002451900000000 ] - [ 0.0000222600000000, 0.0004480600000000, 0.0002051200000000 ] - [ -0.0002080900000000, 0.0004595800000000, 0.0001444500000000 ] - [ 0.0000505700000000, 0.0000733300000000, 0.0004375900000000 ] - [ -0.0002962000000000, -0.0003206700000000, 0.0001794100000000 ] - [ 0.0004649600000000, -0.0001319600000000, 0.0000227000000000 ] - [ 0.0000790900000000, -0.0001723000000000, -0.0001140600000000 ] - [ 0.0000721800000000, 0.0001729800000000, 0.0000493000000000 ] - [ -0.0001213600000000, -0.0000186200000000, 0.0002735400000000 ] - [ -0.0004466100000000, -0.0021967200000000, -0.0017571800000000 ] - [ 0.0020275500000000, -0.0002373000000000, -0.0019220700000000 ] - [ 0.0012320500000000, -0.0005507900000000, 0.0004805600000000 ] - [ 0.0000331100000000, -0.0002605600000000, 0.0000688900000000 ] - [ 0.0001128100000000, 0.0000697500000000, -0.0000309500000000 ] - [ -0.0003429600000000, -0.0001783300000000, -0.0002018200000000 ] - [ 0.0002658100000000, -0.0001658500000000, -0.0000752500000000 ] - [ 0.0001644200000000, 0.0002606100000000, -0.0001800800000000 ] - [ 0.0017639600000000, 0.0028194200000000, -0.0018831600000000 ] - [ 0.0000512300000000, -0.0001981100000000, -0.0000034200000000 ] - [ -0.0001341900000000, 0.0000256300000000, -0.0007006700000000 ] - [ 0.0007061900000000, 0.0002541400000000, -0.0002635300000000 ] - [ -0.0002169000000000, 0.0001256400000000, 0.0000096900000000 ] - [ -0.0003256000000000, -0.0003215000000000, 0.0005320400000000 ] - [ 0.0010427900000000, -0.0002656100000000, 0.0005012900000000 ] - [ 0.0001435600000000, 0.0001189100000000, 0.0000432500000000 ] - [ 0.0001131400000000, -0.0001988400000000, 0.0000375000000000 ] - [ -0.0001935600000000, 0.0008145200000000, 0.0004198800000000 ] - [ 0.0002462000000000, -0.0002820300000000, 0.0005338700000000 ] - [ -0.0000345500000000, 0.0001704200000000, 0.0003961200000000 ] - [ 0.0000532600000000, -0.0001439900000000, 0.0002875400000000 ] - [ 0.0005115000000000, 0.0000223500000000, -0.0004708200000000 ] - [ -0.0000991300000000, 0.0001075200000000, -0.0000219200000000 ] - [ 0.0002467400000000, 0.0000394400000000, 0.0001434700000000 ] - [ -0.0000070800000000, 0.0004249600000000, -0.0003059100000000 ] - [ -0.0001646400000000, 0.0000101600000000, 0.0002328200000000 ] - [ -0.0001051200000000, 0.0003483900000000, 0.0003322900000000 ] - [ -0.0001751300000000, -0.0003324300000000, 0.0000897000000000 ] - [ 0.0001148300000000, -0.0004778300000000, -0.0002179000000000 ] - [ 0.0000011700000000, -0.0005034700000000, -0.0004554700000000 ] - [ 0.0000395600000000, -0.0000775500000000, -0.0001141300000000 ] - [ -0.0002787300000000, -0.0001919800000000, 0.0002656800000000 ] - [ -0.0002128700000000, -0.0001752900000000, 0.0000717100000000 ] - [ 0.0000445800000000, -0.0000087300000000, -0.0000228200000000 ] - [ 0.0000009200000000, -0.0003972000000000, 0.0003844200000000 ] - [ -0.0000214600000000, -0.0006683400000000, 0.0000088400000000 ] - [ 0.0005715400000000, -0.0007471500000000, -0.0005419000000000 ] - [ -0.0002936600000000, -0.0003507900000000, -0.0001716200000000 ] - [ 0.0001332300000000, -0.0000225300000000, -0.0000705500000000 ] - [ 0.0001634400000000, 0.0000788800000000, 0.0000320000000000 ] - [ -0.0003026600000000, 0.0001471800000000, -0.0002675400000000 ] - [ 0.0000563200000000, -0.0002848500000000, 0.0000416400000000 ] - [ -0.0000442400000000, -0.0001055400000000, -0.0001347500000000 ] - [ 0.0001888200000000, 0.0003046500000000, -0.0001154200000000 ] - [ 0.0004682800000000, -0.0007815500000000, -0.0014959000000000 ] - [ 0.0001814200000000, -0.0000023700000000, -0.0000302100000000 ] - [ 0.0004226100000000, 0.0001476700000000, 0.0000364300000000 ] - [ 0.0000891200000000, 0.0001497200000000, -0.0000230200000000 ] - [ -0.0012587300000000, 0.0013569200000000, -0.0039218900000000 ] - [ -0.0001197300000000, 0.0003829400000000, 0.0001276200000000 ] - [ 0.0000029000000000, 0.0002867600000000, -0.0000462000000000 ] - [ -0.0001327100000000, -0.0001901000000000, 0.0003241500000000 ] - [ 0.0002592200000000, 0.0001536100000000, 0.0001336200000000 ]- atom: 17 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ 0.0001206600000000, -0.0000510300000000, 0.0001873700000000 ] - [ 0.0008120400000000, -0.0003169900000000, -0.0000126200000000 ] - [ -0.0009616100000000, -0.0012976300000000, -0.0000579000000000 ] - [ -0.0002741300000000, -0.0007799700000000, -0.0010231200000000 ] - [ -0.0008108000000000, -0.0001347700000000, -0.0005535100000000 ] - [ -0.0001783000000000, 0.0002569000000000, -0.0001108000000000 ] - [ 0.0006218100000000, 0.0008014200000000, 0.0008701600000000 ] - [ 0.0000968200000000, 0.0009353800000000, 0.0009371600000000 ] - [ -0.0011006700000000, 0.0009656000000000, 0.0003418300000000 ] - [ -0.0002332400000000, -0.0003557600000000, -0.0001007800000000 ] - [ 0.0002015400000000, -0.0002910500000000, 0.0001010300000000 ] - [ -0.0000124000000000, 0.0001079700000000, -0.0000661700000000 ] - [ -0.0000673000000000, 0.0001513400000000, 0.0001745900000000 ] - [ 0.0008211200000000, 0.0003666300000000, -0.0003225100000000 ] - [ -0.0000343700000000, -0.0000865100000000, -0.0002052400000000 ] - [ -0.0000434000000000, 0.0001055800000000, 0.0000800000000000 ] - [ -0.0617103000000000, -0.0005461700000000, 0.0063097200000000 ] - [ -0.0002306600000000, 0.0000726800000000, 0.0000422200000000 ] - [ 0.0003888600000000, -0.0006650000000000, -0.0000113600000000 ] - [ 0.0119153500000000, -0.0001174500000000, 0.0000659300000000 ] - [ 0.0002191200000000, 0.0000444400000000, -0.0001796000000000 ] - [ 0.0002044100000000, -0.0004303200000000, 0.0002695100000000 ] - [ 0.0001678700000000, 0.0003422500000000, -0.0004488900000000 ] - [ -0.0000931200000000, -0.0002268000000000, 0.0001467300000000 ] - [ -0.0004490600000000, -0.0008435700000000, -0.0000582900000000 ] - [ 0.0107917300000000, 0.0029067100000000, 0.0028202700000000 ] - [ -0.0004381100000000, 0.0026457300000000, 0.0031721000000000 ] - [ 0.0000904500000000, 0.0000519600000000, -0.0001498100000000 ] - [ -0.0009155500000000, -0.0006116500000000, -0.0001570500000000 ] - [ -0.0017345900000000, 0.0002936800000000, -0.0001996700000000 ] - [ 0.0001116400000000, 0.0002777600000000, -0.0000843500000000 ] - [ 0.0113564000000000, -0.0036542100000000, -0.0032101800000000 ] - [ 0.0010758300000000, -0.0025994300000000, -0.0034406400000000 ] - [ -0.0002460800000000, -0.0001475900000000, 0.0001569800000000 ] - [ -0.0000503900000000, 0.0000092300000000, -0.0004505000000000 ] - [ 0.0007721600000000, -0.0001806000000000, 0.0002122800000000 ] - [ -0.0000205800000000, 0.0000558100000000, -0.0004663800000000 ] - [ -0.0004532700000000, 0.0006331200000000, -0.0000428800000000 ] - [ -0.0006734300000000, 0.0004854200000000, -0.0002747300000000 ] - [ 0.0003756800000000, -0.0000355900000000, -0.0002354700000000 ] - [ 0.0014626000000000, -0.0005660200000000, 0.0005702600000000 ] - [ 0.0004001300000000, -0.0001871600000000, 0.0000606800000000 ] - [ -0.0002749800000000, -0.0011391100000000, -0.0004262400000000 ] - [ 0.0004862400000000, 0.0003954300000000, -0.0000437500000000 ] - [ -0.0003119700000000, -0.0000591300000000, 0.0001627800000000 ] - [ -0.0000599400000000, 0.0007514700000000, 0.0000694500000000 ] - [ -0.0001857200000000, -0.0002152900000000, 0.0000619200000000 ] - [ 0.0082523000000000, 0.0043776100000000, -0.0149303400000000 ] - [ 0.0101057900000000, -0.0012118000000000, 0.0099183000000000 ] - [ 0.0000062000000000, 0.0001268100000000, -0.0001104300000000 ] - [ 0.0053384000000000, -0.0021007700000000, 0.0123459700000000 ] - [ -0.0002761500000000, -0.0002047300000000, 0.0000477600000000 ] - [ 0.0005018900000000, -0.0003623400000000, -0.0015131700000000 ] - [ 0.0000057300000000, -0.0004349800000000, 0.0001425600000000 ] - [ -0.0013394200000000, 0.0016843200000000, 0.0012053700000000 ] - [ -0.0031847000000000, 0.0001413900000000, 0.0004638700000000 ] - [ -0.0035915100000000, -0.0001390600000000, -0.0005630700000000 ] - [ 0.0005037600000000, -0.0000987100000000, 0.0002707700000000 ] - [ 0.0001626700000000, 0.0001721200000000, 0.0000609700000000 ] - [ -0.0001638900000000, 0.0001813900000000, -0.0002773700000000 ] - [ 0.0002077200000000, 0.0004167700000000, -0.0005720500000000 ] - [ -0.0012480600000000, 0.0038756500000000, -0.0000635900000000 ] - [ 0.0002259200000000, -0.0001113600000000, -0.0000299600000000 ] - [ -0.0019772300000000, -0.0016457100000000, -0.0012044500000000 ] - [ 0.0001164600000000, -0.0000640100000000, 0.0000308800000000 ] - [ 0.0003009200000000, 0.0001984700000000, 0.0000043800000000 ] - [ 0.0001259100000000, 0.0002635600000000, -0.0000393200000000 ] - [ -0.0000707100000000, 0.0004556100000000, 0.0007510900000000 ] - [ 0.0118554300000000, 0.0007705300000000, -0.0118757600000000 ] - [ 0.0002533400000000, 0.0001674200000000, 0.0000601900000000 ] - [ 0.0028564200000000, -0.0021238300000000, -0.0017676100000000 ] - [ 0.0004967900000000, 0.0002757500000000, -0.0000390200000000 ] - [ 0.0000031200000000, 0.0001879000000000, -0.0000932900000000 ] - [ -0.0000001200000000, -0.0000468800000000, -0.0001948700000000 ] - [ 0.0002823200000000, -0.0001742100000000, 0.0001250400000000 ] - [ 0.0000426500000000, 0.0004284600000000, 0.0003491600000000 ] - [ -0.0002129900000000, -0.0000251900000000, 0.0002826200000000 ] - [ -0.0001429400000000, 0.0003380400000000, 0.0003747200000000 ] - [ -0.0000866100000000, -0.0003492100000000, 0.0002122500000000 ] - [ 0.0003482200000000, -0.0001714100000000, -0.0000052000000000 ] - [ 0.0001001900000000, -0.0001061400000000, -0.0000004800000000 ] - [ 0.0005421000000000, -0.0002243700000000, 0.0002878000000000 ] - [ -0.0002529300000000, 0.0000540600000000, 0.0002779700000000 ] - [ -0.0000618700000000, -0.0003023300000000, 0.0000086500000000 ] - [ -0.0000123900000000, 0.0003534600000000, -0.0000158100000000 ] - [ -0.0015803600000000, -0.0036210700000000, 0.0001732200000000 ] - [ -0.0000135900000000, -0.0001302200000000, 0.0000451000000000 ] - [ 0.0002643000000000, -0.0000218400000000, -0.0000636300000000 ] - [ -0.0002214000000000, -0.0000954200000000, -0.0002242900000000 ] - [ 0.0002447400000000, -0.0001861000000000, -0.0001478300000000 ] - [ 0.0004449800000000, 0.0007355100000000, -0.0000668700000000 ] - [ -0.0004967400000000, 0.0001706000000000, -0.0002808300000000 ] - [ 0.0000241800000000, 0.0000272000000000, 0.0000070100000000 ] - [ -0.0000747500000000, -0.0000606100000000, -0.0000552000000000 ] - [ 0.0001582200000000, 0.0007298500000000, 0.0013451500000000 ] - [ -0.0001659300000000, 0.0000380200000000, -0.0000174000000000 ] - [ 0.0000175900000000, -0.0000497600000000, -0.0002405900000000 ] - [ 0.0003174100000000, 0.0001473800000000, 0.0002707800000000 ] - [ 0.0001588600000000, 0.0001859200000000, 0.0002015600000000 ] - [ 0.0001323200000000, 0.0000422300000000, 0.0000534800000000 ] - [ -0.0001717200000000, 0.0003350800000000, 0.0000993900000000 ] - [ -0.0000694600000000, 0.0002883000000000, -0.0000536900000000 ] - [ -0.0001059300000000, -0.0003613500000000, 0.0003321600000000 ] - [ 0.0001960500000000, 0.0001362500000000, 0.0002174100000000 ]- atom: 17 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0003303700000000, -0.0002955300000000, 0.0001001500000000 ] - [ -0.0008761800000000, -0.0000038700000000, -0.0001080300000000 ] - [ 0.0009227500000000, 0.0010238500000000, 0.0003086300000000 ] - [ 0.0002077700000000, 0.0011006300000000, 0.0009002100000000 ] - [ 0.0006009200000000, 0.0004830600000000, 0.0008395900000000 ] - [ 0.0001693000000000, -0.0000647300000000, -0.0002865600000000 ] - [ -0.0006295800000000, -0.0009935900000000, -0.0012662400000000 ] - [ -0.0001319000000000, -0.0006619600000000, -0.0006838200000000 ] - [ 0.0008877600000000, -0.0013129900000000, -0.0000541300000000 ] - [ 0.0001676300000000, 0.0000345500000000, -0.0000210900000000 ] - [ -0.0002369600000000, 0.0000170200000000, 0.0001511000000000 ] - [ -0.0000531100000000, 0.0002130200000000, -0.0000558500000000 ] - [ -0.0001427200000000, 0.0001951400000000, 0.0001126800000000 ] - [ -0.0008292100000000, -0.0001753200000000, -0.0000760800000000 ] - [ 0.0000253200000000, -0.0001051300000000, -0.0001921600000000 ] - [ 0.0000078200000000, 0.0001685600000000, 0.0001720800000000 ] - [ 0.0618556800000000, 0.0006929000000000, -0.0067530600000000 ] - [ 0.0003001500000000, 0.0002715300000000, 0.0002087000000000 ] - [ -0.0002156900000000, 0.0004202900000000, -0.0003382600000000 ] - [ -0.0119358600000000, -0.0002260800000000, 0.0001831000000000 ] - [ -0.0000463200000000, 0.0002013100000000, -0.0001706700000000 ] - [ -0.0001338500000000, 0.0007765400000000, -0.0000194800000000 ] - [ 0.0000049200000000, -0.0005857400000000, 0.0000977200000000 ] - [ 0.0001628700000000, -0.0001194800000000, 0.0001032900000000 ] - [ -0.0003844200000000, -0.0005403100000000, -0.0001074000000000 ] - [ -0.0112292600000000, -0.0034958800000000, -0.0031374600000000 ] - [ 0.0003257900000000, -0.0028657700000000, -0.0039797700000000 ] - [ 0.0006697500000000, -0.0004540400000000, 0.0003043800000000 ] - [ 0.0007730900000000, 0.0008264100000000, -0.0006455100000000 ] - [ 0.0009010600000000, 0.0010898900000000, 0.0000328900000000 ] - [ -0.0006168300000000, 0.0003338600000000, -0.0001800000000000 ] - [ -0.0105218400000000, 0.0040374800000000, 0.0034097800000000 ] - [ -0.0018868700000000, 0.0012180100000000, 0.0032847800000000 ] - [ -0.0002584800000000, -0.0004636100000000, -0.0004207100000000 ] - [ -0.0000924700000000, -0.0002234300000000, -0.0003519200000000 ] - [ -0.0000115700000000, -0.0002224900000000, -0.0000583000000000 ] - [ -0.0001223800000000, 0.0001595600000000, -0.0003359000000000 ] - [ -0.0003802300000000, 0.0007501300000000, -0.0001225100000000 ] - [ 0.0001666300000000, 0.0001265100000000, 0.0000100200000000 ] - [ 0.0003855900000000, 0.0004387200000000, 0.0003882600000000 ] - [ -0.0013041900000000, 0.0003917300000000, -0.0008961500000000 ] - [ -0.0006013900000000, 0.0002763600000000, -0.0003726300000000 ] - [ 0.0007454500000000, 0.0010711100000000, 0.0007757700000000 ] - [ -0.0004845600000000, 0.0004834300000000, 0.0006893600000000 ] - [ -0.0000028500000000, 0.0000957700000000, 0.0003327600000000 ] - [ -0.0001015900000000, -0.0002814600000000, 0.0006317800000000 ] - [ -0.0001677200000000, -0.0006017100000000, 0.0002760700000000 ] - [ -0.0070969400000000, -0.0044898100000000, 0.0145237800000000 ] - [ -0.0102453900000000, 0.0009169900000000, -0.0104485900000000 ] - [ 0.0001354700000000, -0.0000783500000000, -0.0001593000000000 ] - [ -0.0053909100000000, 0.0019337000000000, -0.0114577500000000 ] - [ -0.0001560200000000, -0.0000652000000000, -0.0000164800000000 ] - [ -0.0004163300000000, 0.0004288400000000, 0.0015202100000000 ] - [ -0.0000046300000000, -0.0004448700000000, 0.0005039300000000 ] - [ 0.0013501900000000, -0.0022096200000000, -0.0011812800000000 ] - [ 0.0035560400000000, -0.0001283000000000, -0.0005428900000000 ] - [ 0.0030067300000000, -0.0001800900000000, 0.0000635900000000 ] - [ -0.0000401200000000, -0.0003309300000000, -0.0004993300000000 ] - [ 0.0001283700000000, 0.0001626000000000, -0.0000051900000000 ] - [ -0.0004358700000000, 0.0001392700000000, -0.0002112600000000 ] - [ -0.0001168000000000, -0.0004922400000000, 0.0005706000000000 ] - [ 0.0010319700000000, -0.0040023500000000, -0.0002472600000000 ] - [ 0.0002374800000000, 0.0005412000000000, -0.0002004000000000 ] - [ 0.0015407500000000, 0.0019136400000000, 0.0012395500000000 ] - [ 0.0002404700000000, 0.0000504500000000, -0.0001244500000000 ] - [ 0.0005555600000000, 0.0001020900000000, 0.0000396400000000 ] - [ 0.0000608000000000, 0.0001288500000000, -0.0000809500000000 ] - [ 0.0003611400000000, -0.0007909000000000, -0.0006954400000000 ] - [ -0.0125823800000000, -0.0000369700000000, 0.0126958100000000 ] - [ -0.0002371700000000, 0.0003590600000000, -0.0000328700000000 ] - [ -0.0030192000000000, 0.0018030400000000, 0.0025267100000000 ] - [ -0.0000257100000000, -0.0002019300000000, 0.0003864600000000 ] - [ 0.0001386300000000, -0.0002355700000000, -0.0001764400000000 ] - [ -0.0002012100000000, 0.0001359500000000, -0.0001181200000000 ] - [ 0.0001894000000000, 0.0001009700000000, 0.0002237100000000 ] - [ -0.0000417000000000, 0.0004517000000000, 0.0002978300000000 ] - [ -0.0001007700000000, 0.0000623000000000, 0.0002135500000000 ] - [ -0.0000183400000000, 0.0001314900000000, 0.0003278300000000 ] - [ -0.0002670700000000, -0.0004674700000000, 0.0001255800000000 ] - [ 0.0005082000000000, -0.0001292200000000, 0.0000495900000000 ] - [ 0.0000864400000000, -0.0002860400000000, -0.0001196700000000 ] - [ -0.0003993300000000, 0.0002698700000000, -0.0005532200000000 ] - [ -0.0000614100000000, -0.0000909300000000, 0.0002178500000000 ] - [ -0.0003700900000000, 0.0000323800000000, 0.0000229100000000 ] - [ 0.0001032500000000, -0.0002786100000000, 0.0000162800000000 ] - [ 0.0015760800000000, 0.0027800200000000, 0.0004770900000000 ] - [ 0.0000296500000000, -0.0003974000000000, -0.0000167100000000 ] - [ 0.0000926900000000, 0.0000357900000000, -0.0000295500000000 ] - [ -0.0003787800000000, -0.0002250200000000, -0.0002637900000000 ] - [ 0.0002187300000000, -0.0002433000000000, -0.0000830300000000 ] - [ -0.0001547000000000, -0.0004045400000000, 0.0001248500000000 ] - [ -0.0001030400000000, 0.0001498000000000, -0.0002069400000000 ] - [ 0.0000667500000000, -0.0001026500000000, -0.0000066200000000 ] - [ -0.0001263600000000, -0.0000281100000000, -0.0002577000000000 ] - [ 0.0003011100000000, -0.0002924000000000, -0.0015834200000000 ] - [ -0.0002666000000000, 0.0002329200000000, 0.0000487300000000 ] - [ 0.0003397000000000, 0.0000353100000000, 0.0001474100000000 ] - [ 0.0005396300000000, 0.0001519300000000, -0.0002269400000000 ] - [ 0.0000270800000000, 0.0002068600000000, -0.0003218800000000 ] - [ 0.0001584700000000, -0.0003761200000000, 0.0000026200000000 ] - [ -0.0001815800000000, 0.0004811200000000, 0.0002382900000000 ] - [ 0.0000854900000000, 0.0002382700000000, 0.0000815500000000 ] - [ -0.0000552500000000, -0.0001084400000000, 0.0003704800000000 ] - [ 0.0002756000000000, -0.0000632700000000, 0.0001316400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001765400000000, 0.0002943700000000, 0.0003037500000000 ] - [ 0.0003174300000000, -0.0000083300000000, -0.0003205900000000 ] - [ -0.0010011300000000, 0.0011232500000000, -0.0011807000000000 ] - [ -0.0004770900000000, -0.0009211900000000, 0.0001352600000000 ] - [ -0.0001498800000000, -0.0009452300000000, 0.0007451000000000 ] - [ -0.0001549300000000, 0.0008259900000000, -0.0000872200000000 ] - [ -0.0002554800000000, -0.0011073400000000, -0.0005205600000000 ] - [ 0.0004496500000000, -0.0009714000000000, 0.0007225100000000 ] - [ 0.0008652800000000, 0.0012166300000000, -0.0008636200000000 ] - [ 0.0001824000000000, 0.0004693000000000, 0.0000040100000000 ] - [ -0.0002818700000000, 0.0002673500000000, 0.0002515800000000 ] - [ -0.0001102800000000, 0.0004815100000000, -0.0000465700000000 ] - [ -0.0001817300000000, 0.0004757600000000, 0.0001769100000000 ] - [ -0.0003200900000000, 0.0002318500000000, -0.0004076100000000 ] - [ 0.0000544800000000, 0.0002239900000000, -0.0001657700000000 ] - [ 0.0000651700000000, 0.0004496600000000, 0.0001827000000000 ] - [ -0.0004519600000000, -0.0593736600000000, -0.0043622200000000 ] - [ -0.0003726200000000, 0.0006554300000000, 0.0003620700000000 ] - [ 0.0006270500000000, 0.0002219200000000, 0.0002500300000000 ] - [ -0.0001185300000000, -0.0060235500000000, 0.0038526200000000 ] - [ 0.0000078100000000, 0.0009095800000000, -0.0002523400000000 ] - [ 0.0000507400000000, 0.0007621000000000, 0.0001394500000000 ] - [ -0.0003791600000000, 0.0002621400000000, 0.0001958400000000 ] - [ 0.0000728800000000, 0.0006497600000000, 0.0000534200000000 ] - [ -0.0004978800000000, -0.0000332500000000, -0.0002067300000000 ] - [ 0.0036097200000000, -0.0013183000000000, 0.0024827800000000 ] - [ 0.0154593500000000, 0.0052477200000000, -0.0074246900000000 ] - [ 0.0000094900000000, -0.0001656500000000, 0.0009733300000000 ] - [ -0.0003380600000000, -0.0007966100000000, -0.0004974500000000 ] - [ 0.0002841100000000, -0.0006061900000000, -0.0002370700000000 ] - [ -0.0000852500000000, 0.0007865600000000, -0.0005657100000000 ] - [ -0.0029528200000000, -0.0009045400000000, 0.0022643900000000 ] - [ -0.0123964300000000, 0.0049573300000000, -0.0074974000000000 ] - [ -0.0001955800000000, 0.0003290300000000, 0.0003870500000000 ] - [ -0.0001292400000000, 0.0005115900000000, -0.0005278900000000 ] - [ 0.0001444600000000, 0.0003474300000000, -0.0004394900000000 ] - [ -0.0002455700000000, 0.0004946100000000, -0.0002134100000000 ] - [ -0.0003795000000000, 0.0010549200000000, 0.0001110100000000 ] - [ 0.0007772200000000, -0.0003229300000000, 0.0005169700000000 ] - [ 0.0003865700000000, 0.0008835100000000, 0.0008082300000000 ] - [ 0.0066154800000000, 0.0194136100000000, 0.0134441900000000 ] - [ 0.0000992000000000, 0.0000366100000000, 0.0000092300000000 ] - [ -0.0027458100000000, 0.0010827600000000, 0.0002451400000000 ] - [ -0.0001719100000000, 0.0003241600000000, 0.0009404300000000 ] - [ -0.0004160900000000, -0.0002339400000000, -0.0002702500000000 ] - [ -0.0001468600000000, 0.0005369400000000, 0.0002620200000000 ] - [ -0.0002483500000000, -0.0003325700000000, 0.0000784600000000 ] - [ 0.0050760700000000, 0.0034486000000000, -0.0077598200000000 ] - [ 0.0007767400000000, 0.0009440600000000, -0.0016804800000000 ] - [ -0.0001487800000000, -0.0003218900000000, -0.0001852200000000 ] - [ -0.0024532200000000, 0.0029932500000000, -0.0049556300000000 ] - [ -0.0002256300000000, -0.0005445300000000, 0.0002138000000000 ] - [ -0.0024759500000000, -0.0010699500000000, 0.0016877500000000 ] - [ -0.0000005400000000, -0.0004656700000000, 0.0003879800000000 ] - [ 0.0006136100000000, 0.0008850900000000, -0.0000092100000000 ] - [ -0.0011996800000000, 0.0010109600000000, -0.0014020900000000 ] - [ 0.0005606400000000, 0.0008708800000000, -0.0013268600000000 ] - [ 0.0001460300000000, 0.0002948200000000, 0.0001101500000000 ] - [ 0.0002358300000000, -0.0001998200000000, 0.0000544900000000 ] - [ -0.0001280900000000, 0.0000580300000000, -0.0006182500000000 ] - [ -0.0000496200000000, 0.0002369100000000, 0.0003376600000000 ] - [ -0.0001814700000000, 0.0036548800000000, -0.0003849300000000 ] - [ 0.0003419200000000, -0.0003675100000000, -0.0002015600000000 ] - [ -0.0004077000000000, 0.0014668000000000, -0.0000567700000000 ] - [ 0.0001374900000000, -0.0001259900000000, -0.0001320700000000 ] - [ 0.0004470900000000, -0.0000266900000000, -0.0000695900000000 ] - [ 0.0001287800000000, 0.0000573600000000, -0.0000129200000000 ] - [ 0.0017657200000000, 0.0002193300000000, 0.0003821300000000 ] - [ -0.0024364100000000, -0.0014093400000000, -0.0001393400000000 ] - [ 0.0001564300000000, 0.0002699000000000, -0.0002435900000000 ] - [ -0.0080319400000000, 0.0210856200000000, 0.0125047300000000 ] - [ 0.0004467800000000, 0.0003389900000000, 0.0001102700000000 ] - [ 0.0001457000000000, -0.0004735000000000, -0.0000583100000000 ] - [ -0.0000721600000000, 0.0001539600000000, -0.0002110000000000 ] - [ 0.0003048500000000, -0.0004043500000000, 0.0002296000000000 ] - [ -0.0000025700000000, 0.0004978100000000, 0.0002985200000000 ] - [ -0.0002869600000000, -0.0002032600000000, 0.0000859000000000 ] - [ 0.0001773100000000, -0.0001384000000000, 0.0003366400000000 ] - [ -0.0002626700000000, -0.0005120300000000, 0.0002555900000000 ] - [ 0.0004056600000000, -0.0004525600000000, 0.0000164100000000 ] - [ 0.0001199500000000, -0.0003472900000000, -0.0000381800000000 ] - [ 0.0001275200000000, 0.0004186600000000, -0.0003877800000000 ] - [ -0.0000890800000000, -0.0003534100000000, 0.0002290100000000 ] - [ -0.0003696700000000, 0.0000382300000000, -0.0002087400000000 ] - [ -0.0000337800000000, -0.0005995700000000, -0.0000933300000000 ] - [ 0.0000422500000000, 0.0021138900000000, -0.0013007000000000 ] - [ 0.0000655000000000, -0.0012227800000000, -0.0006145800000000 ] - [ 0.0002189200000000, -0.0003266400000000, -0.0000473300000000 ] - [ -0.0003677400000000, -0.0004981700000000, -0.0002634200000000 ] - [ 0.0002838100000000, -0.0004437300000000, -0.0000748000000000 ] - [ -0.0002421200000000, 0.0005275100000000, 0.0006958400000000 ] - [ -0.0003683100000000, -0.0000149500000000, -0.0003541300000000 ] - [ 0.0001039200000000, -0.0003399200000000, 0.0000200100000000 ] - [ -0.0001496000000000, -0.0000433800000000, -0.0000673400000000 ] - [ 0.0019248800000000, -0.0008124900000000, 0.0014133800000000 ] - [ -0.0002784700000000, -0.0009106100000000, -0.0005376800000000 ] - [ 0.0001037400000000, -0.0000345100000000, -0.0001422900000000 ] - [ 0.0002059000000000, 0.0004241000000000, -0.0004524300000000 ] - [ 0.0001263300000000, 0.0004641100000000, -0.0001313600000000 ] - [ 0.0001068800000000, -0.0005525000000000, 0.0000032500000000 ] - [ -0.0000789500000000, 0.0003016400000000, 0.0002076600000000 ] - [ 0.0000140500000000, -0.0001585100000000, 0.0002471300000000 ] - [ -0.0001727400000000, -0.0005871400000000, 0.0003536800000000 ] - [ 0.0001525900000000, -0.0002769600000000, 0.0001689600000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003868200000000, -0.0006400100000000, -0.0000164100000000 ] - [ -0.0003828500000000, -0.0003124400000000, 0.0001985300000000 ] - [ 0.0009695800000000, -0.0014078500000000, 0.0014386000000000 ] - [ 0.0004119600000000, 0.0012438000000000, -0.0002590000000000 ] - [ -0.0000606400000000, 0.0012897200000000, -0.0004562000000000 ] - [ 0.0001450500000000, -0.0006329700000000, -0.0003104400000000 ] - [ 0.0002463600000000, 0.0009155000000000, 0.0001233600000000 ] - [ -0.0004879200000000, 0.0012478400000000, -0.0004742100000000 ] - [ -0.0010705600000000, -0.0015485300000000, 0.0011431600000000 ] - [ -0.0002486400000000, -0.0007890300000000, -0.0001267700000000 ] - [ 0.0002459000000000, -0.0005400400000000, -0.0000004000000000 ] - [ 0.0000442900000000, -0.0001593300000000, -0.0000762200000000 ] - [ -0.0000292100000000, -0.0001281700000000, 0.0001099400000000 ] - [ 0.0003104500000000, -0.0000390600000000, 0.0000084800000000 ] - [ -0.0000640700000000, -0.0004146000000000, -0.0002322200000000 ] - [ -0.0001014200000000, -0.0001746500000000, 0.0000685500000000 ] - [ 0.0007763700000000, 0.0597322800000000, 0.0040647700000000 ] - [ 0.0004422300000000, -0.0003098800000000, -0.0001118000000000 ] - [ -0.0004560100000000, -0.0004647100000000, -0.0006012100000000 ] - [ 0.0002036100000000, 0.0056750300000000, -0.0036003300000000 ] - [ 0.0001640100000000, -0.0006626900000000, -0.0000985000000000 ] - [ 0.0000192900000000, -0.0004154600000000, 0.0001108100000000 ] - [ 0.0005506300000000, -0.0005050200000000, -0.0005466700000000 ] - [ -0.0000035100000000, -0.0009947100000000, 0.0001966400000000 ] - [ -0.0003371500000000, -0.0013533100000000, 0.0000398000000000 ] - [ -0.0041290500000000, 0.0006976800000000, -0.0027704200000000 ] - [ -0.0156596100000000, -0.0055298100000000, 0.0066377000000000 ] - [ 0.0007508600000000, -0.0002389100000000, -0.0008212300000000 ] - [ 0.0001957400000000, 0.0010093100000000, -0.0003052200000000 ] - [ -0.0011158900000000, 0.0019928800000000, 0.0000714100000000 ] - [ -0.0004200600000000, -0.0001722400000000, 0.0003010500000000 ] - [ 0.0036989200000000, 0.0013191100000000, -0.0020884100000000 ] - [ 0.0115118500000000, -0.0062757200000000, 0.0073116100000000 ] - [ -0.0003095000000000, -0.0009408500000000, -0.0006498600000000 ] - [ -0.0000144300000000, -0.0007209000000000, -0.0002742300000000 ] - [ 0.0006149100000000, -0.0007509000000000, 0.0005917500000000 ] - [ 0.0001023100000000, -0.0002812400000000, -0.0005884600000000 ] - [ -0.0004554700000000, 0.0003333700000000, -0.0002779900000000 ] - [ -0.0012830200000000, 0.0009373600000000, -0.0007799600000000 ] - [ 0.0003739500000000, -0.0004777300000000, -0.0006570800000000 ] - [ -0.0065867100000000, -0.0185798000000000, -0.0131500800000000 ] - [ -0.0003017000000000, 0.0000500500000000, -0.0003243500000000 ] - [ 0.0032320800000000, -0.0011515600000000, 0.0000954400000000 ] - [ 0.0001715000000000, 0.0005590800000000, -0.0002928100000000 ] - [ 0.0001011300000000, 0.0002732200000000, 0.0007657300000000 ] - [ -0.0000169500000000, -0.0000698800000000, 0.0004407100000000 ] - [ -0.0001059900000000, -0.0004799100000000, 0.0002575900000000 ] - [ -0.0042346800000000, -0.0038226400000000, 0.0078311400000000 ] - [ -0.0005348700000000, -0.0013941900000000, 0.0016176100000000 ] - [ 0.0002877700000000, 0.0003737200000000, -0.0000865500000000 ] - [ 0.0020989100000000, -0.0029779700000000, 0.0053955300000000 ] - [ -0.0002073900000000, 0.0002789100000000, -0.0001833700000000 ] - [ 0.0025599800000000, 0.0011335700000000, -0.0016840800000000 ] - [ 0.0000009200000000, -0.0004161600000000, 0.0002593400000000 ] - [ -0.0006024600000000, -0.0014144700000000, 0.0000310800000000 ] - [ 0.0015595400000000, -0.0009983400000000, 0.0013145500000000 ] - [ -0.0011553300000000, -0.0011887600000000, 0.0008322700000000 ] - [ 0.0003166900000000, -0.0007248000000000, -0.0003409600000000 ] - [ 0.0000571300000000, 0.0005381600000000, 0.0000013200000000 ] - [ -0.0004719200000000, 0.0002635300000000, 0.0001282300000000 ] - [ 0.0001398700000000, -0.0003109600000000, -0.0003379400000000 ] - [ -0.0000309000000000, -0.0037694400000000, 0.0000799100000000 ] - [ 0.0001203800000000, 0.0007990000000000, -0.0000283600000000 ] - [ -0.0000253400000000, -0.0011910300000000, 0.0000943300000000 ] - [ 0.0002187100000000, 0.0001140300000000, 0.0000404800000000 ] - [ 0.0004081700000000, 0.0003298100000000, 0.0001147300000000 ] - [ 0.0000576300000000, 0.0003326000000000, -0.0001070100000000 ] - [ -0.0014645500000000, -0.0005570000000000, -0.0003181600000000 ] - [ 0.0021745000000000, 0.0022992500000000, 0.0003869100000000 ] - [ -0.0001405400000000, 0.0002560500000000, 0.0002705000000000 ] - [ 0.0078529300000000, -0.0226263900000000, -0.0123746200000000 ] - [ 0.0000244800000000, -0.0002671300000000, 0.0002378500000000 ] - [ -0.0000065800000000, 0.0004239100000000, -0.0002134100000000 ] - [ -0.0001300800000000, -0.0000669700000000, -0.0001041300000000 ] - [ 0.0001670900000000, 0.0003338200000000, 0.0001194500000000 ] - [ 0.0000028600000000, 0.0003858000000000, 0.0003488000000000 ] - [ -0.0000277000000000, 0.0002412100000000, 0.0004080800000000 ] - [ -0.0003410200000000, 0.0006062900000000, 0.0003658100000000 ] - [ -0.0000914400000000, -0.0003003000000000, 0.0000804200000000 ] - [ 0.0004492300000000, 0.0001511000000000, 0.0000289000000000 ] - [ 0.0000665300000000, -0.0000408200000000, -0.0000810200000000 ] - [ 0.0000107300000000, -0.0003669600000000, 0.0001163700000000 ] - [ -0.0002264900000000, 0.0003174700000000, 0.0002642500000000 ] - [ -0.0000632200000000, -0.0003040100000000, 0.0002388000000000 ] - [ 0.0001235600000000, 0.0006745100000000, 0.0000923400000000 ] - [ -0.0000521100000000, -0.0029704600000000, 0.0019308900000000 ] - [ -0.0000502400000000, 0.0006966000000000, 0.0006422400000000 ] - [ 0.0001383200000000, 0.0003399900000000, -0.0000444600000000 ] - [ -0.0002320800000000, 0.0001792600000000, -0.0002266700000000 ] - [ 0.0001790800000000, 0.0000138300000000, -0.0001557000000000 ] - [ 0.0005331900000000, -0.0001878300000000, -0.0006364600000000 ] - [ -0.0002310200000000, 0.0003356400000000, -0.0001358000000000 ] - [ -0.0000137800000000, 0.0002659200000000, -0.0000206500000000 ] - [ -0.0000524200000000, -0.0000415100000000, -0.0002476500000000 ] - [ -0.0014635800000000, 0.0012528700000000, -0.0016463500000000 ] - [ -0.0001553500000000, 0.0011809000000000, 0.0005679100000000 ] - [ 0.0002531000000000, 0.0000223400000000, 0.0000507600000000 ] - [ 0.0006478500000000, -0.0001237600000000, 0.0004950500000000 ] - [ 0.0000596500000000, -0.0000729900000000, 0.0000116700000000 ] - [ 0.0001856000000000, 0.0002164000000000, 0.0000527800000000 ] - [ -0.0002752000000000, 0.0005121400000000, 0.0001279400000000 ] - [ 0.0000015200000000, 0.0006828800000000, -0.0002192700000000 ] - [ 0.0000092100000000, 0.0001205600000000, 0.0003489500000000 ] - [ 0.0003193100000000, 0.0003485100000000, 0.0001802800000000 ]- atom: 17 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0001274200000000, -0.0001850700000000, 0.0002479700000000 ] - [ -0.0003658900000000, -0.0004557600000000, -0.0002258900000000 ] - [ 0.0000992900000000, -0.0008752100000000, -0.0003631700000000 ] - [ -0.0003843400000000, 0.0013061800000000, 0.0010178100000000 ] - [ -0.0000454600000000, 0.0009004900000000, 0.0015689900000000 ] - [ 0.0000829200000000, 0.0001499500000000, -0.0001623400000000 ] - [ 0.0002953300000000, 0.0004782900000000, 0.0000038100000000 ] - [ 0.0002224600000000, 0.0006188500000000, 0.0007506800000000 ] - [ 0.0003996700000000, -0.0015660000000000, -0.0005182700000000 ] - [ 0.0000250600000000, -0.0000167100000000, 0.0000040100000000 ] - [ -0.0001244100000000, -0.0001034100000000, 0.0002521600000000 ] - [ -0.0000196500000000, 0.0001222700000000, -0.0000823900000000 ] - [ -0.0000954100000000, 0.0001267400000000, 0.0001270100000000 ] - [ -0.0001640100000000, -0.0003699100000000, -0.0002456400000000 ] - [ -0.0000153000000000, -0.0001509400000000, -0.0002083700000000 ] - [ -0.0000339800000000, 0.0000888600000000, 0.0001289700000000 ] - [ 0.0266935900000000, -0.0037732700000000, -0.0679391300000000 ] - [ -0.0000563600000000, -0.0000856200000000, 0.0003166200000000 ] - [ 0.0001408800000000, -0.0003470400000000, -0.0000901700000000 ] - [ -0.0038469000000000, 0.0029039000000000, -0.0103041200000000 ] - [ 0.0000378900000000, 0.0000754900000000, -0.0001614000000000 ] - [ 0.0000663700000000, 0.0000478000000000, 0.0002500600000000 ] - [ -0.0002004800000000, -0.0006272200000000, 0.0001358000000000 ] - [ 0.0000879800000000, -0.0002463800000000, 0.0001142200000000 ] - [ -0.0003776500000000, -0.0007712100000000, -0.0000554800000000 ] - [ -0.0122346600000000, -0.0010331600000000, -0.0121254600000000 ] - [ 0.0053838300000000, -0.0006950600000000, -0.0073891400000000 ] - [ 0.0005367900000000, -0.0003478700000000, 0.0001808500000000 ] - [ 0.0000451800000000, 0.0004200000000000, -0.0001683300000000 ] - [ 0.0001988300000000, 0.0011084400000000, 0.0002567000000000 ] - [ -0.0004179600000000, 0.0002816200000000, 0.0000583500000000 ] - [ 0.0051378800000000, 0.0010392500000000, -0.0101728000000000 ] - [ -0.0060958700000000, 0.0007621200000000, -0.0056855600000000 ] - [ -0.0001823900000000, -0.0003675600000000, -0.0001639700000000 ] - [ -0.0000904700000000, -0.0002877800000000, -0.0003262000000000 ] - [ 0.0002751400000000, -0.0002217100000000, 0.0002445700000000 ] - [ -0.0001053600000000, 0.0000574600000000, -0.0002979100000000 ] - [ -0.0004352700000000, 0.0006429400000000, -0.0000540700000000 ] - [ 0.0000778600000000, 0.0001687000000000, -0.0001105400000000 ] - [ 0.0003117900000000, 0.0002583200000000, 0.0003895800000000 ] - [ 0.0031109000000000, 0.0118409000000000, 0.0095792700000000 ] - [ -0.0000929000000000, 0.0000502100000000, -0.0001313000000000 ] - [ 0.0000450400000000, 0.0000736500000000, 0.0019610900000000 ] - [ -0.0004089500000000, 0.0005436300000000, 0.0006311500000000 ] - [ -0.0001900100000000, 0.0000835300000000, 0.0001520600000000 ] - [ -0.0001061600000000, 0.0002653900000000, 0.0002226800000000 ] - [ -0.0001418200000000, -0.0003714800000000, 0.0000257400000000 ] - [ -0.0117047500000000, -0.0076291500000000, 0.0273743100000000 ] - [ 0.0052862100000000, -0.0020139500000000, 0.0085627000000000 ] - [ 0.0000779100000000, 0.0000599600000000, -0.0001501300000000 ] - [ 0.0054378500000000, -0.0030633900000000, 0.0170033600000000 ] - [ -0.0001887600000000, -0.0000569000000000, -0.0000850400000000 ] - [ -0.0016698900000000, -0.0004316900000000, 0.0026703200000000 ] - [ -0.0000106700000000, -0.0004496200000000, 0.0003654200000000 ] - [ -0.0001830700000000, -0.0002691700000000, 0.0022644400000000 ] - [ 0.0030819400000000, -0.0008472100000000, 0.0034197200000000 ] - [ -0.0011209600000000, -0.0011844600000000, 0.0034362000000000 ] - [ 0.0002186000000000, -0.0001393800000000, -0.0009950700000000 ] - [ 0.0001673100000000, 0.0002121500000000, -0.0000066600000000 ] - [ -0.0003094800000000, 0.0001182800000000, -0.0003773100000000 ] - [ -0.0000065000000000, -0.0000265100000000, -0.0003808900000000 ] - [ 0.0010849500000000, -0.0045206600000000, 0.0009722800000000 ] - [ 0.0002377900000000, 0.0004151600000000, -0.0000812700000000 ] - [ 0.0014136100000000, 0.0011586800000000, 0.0030037100000000 ] - [ 0.0002614900000000, 0.0000992200000000, -0.0002094100000000 ] - [ 0.0004289700000000, 0.0001729500000000, -0.0000359200000000 ] - [ 0.0000970400000000, 0.0002218900000000, -0.0000528500000000 ] - [ 0.0001606100000000, -0.0005878900000000, 0.0013789400000000 ] - [ -0.0159919900000000, -0.0021046700000000, 0.0191875700000000 ] - [ -0.0001588300000000, 0.0002780700000000, -0.0000663100000000 ] - [ -0.0051950900000000, 0.0112493100000000, 0.0090345300000000 ] - [ 0.0002043500000000, 0.0000635600000000, 0.0001323800000000 ] - [ 0.0000855500000000, -0.0000481600000000, -0.0001657600000000 ] - [ -0.0001467000000000, 0.0000656200000000, -0.0001630100000000 ] - [ 0.0002252600000000, 0.0000776200000000, 0.0001774100000000 ] - [ -0.0000108800000000, 0.0004505800000000, 0.0003090700000000 ] - [ -0.0001026500000000, 0.0000726400000000, 0.0001369300000000 ] - [ -0.0000282800000000, 0.0002183800000000, 0.0003181600000000 ] - [ -0.0002220600000000, -0.0003754800000000, 0.0001912700000000 ] - [ 0.0004637300000000, -0.0001451500000000, 0.0000446500000000 ] - [ 0.0000948100000000, -0.0001868800000000, -0.0000795400000000 ] - [ -0.0001975100000000, 0.0000410400000000, -0.0004167100000000 ] - [ -0.0001232200000000, -0.0000352800000000, 0.0002372400000000 ] - [ -0.0003060800000000, -0.0000709700000000, -0.0001158300000000 ] - [ 0.0000663200000000, 0.0000465900000000, 0.0000536900000000 ] - [ -0.0003414100000000, -0.0023528400000000, 0.0010804700000000 ] - [ 0.0000801300000000, -0.0004006800000000, -0.0003067000000000 ] - [ 0.0001409000000000, 0.0000039100000000, -0.0000397900000000 ] - [ -0.0003324000000000, -0.0001967700000000, -0.0002720600000000 ] - [ 0.0002267100000000, -0.0001816800000000, -0.0001500900000000 ] - [ 0.0000365100000000, 0.0001458000000000, 0.0001982500000000 ] - [ -0.0003535200000000, 0.0001634200000000, -0.0003528600000000 ] - [ 0.0000575200000000, 0.0000102600000000, -0.0000718800000000 ] - [ -0.0000991900000000, -0.0000484600000000, -0.0002192000000000 ] - [ 0.0015960300000000, -0.0006172600000000, 0.0017900300000000 ] - [ -0.0002651500000000, 0.0000118700000000, -0.0001954800000000 ] - [ 0.0001653800000000, -0.0000173400000000, -0.0000498700000000 ] - [ 0.0005072400000000, 0.0003248000000000, -0.0001129900000000 ] - [ 0.0001127700000000, 0.0003273900000000, -0.0004407500000000 ] - [ 0.0001307800000000, -0.0001887800000000, 0.0000231300000000 ] - [ -0.0001946500000000, 0.0004576200000000, 0.0001891500000000 ] - [ 0.0000117200000000, 0.0003184800000000, -0.0000740000000000 ] - [ -0.0000729300000000, -0.0001378900000000, 0.0003422900000000 ] - [ 0.0002610200000000, 0.0000264600000000, 0.0001312700000000 ]- atom: 17 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0000844700000000, -0.0001628400000000, 0.0000383900000000 ] - [ 0.0002991300000000, 0.0001334900000000, 0.0001043000000000 ] - [ -0.0001351200000000, 0.0006025700000000, 0.0006136600000000 ] - [ 0.0003201900000000, -0.0009855000000000, -0.0011443100000000 ] - [ -0.0001679100000000, -0.0005504400000000, -0.0012759800000000 ] - [ -0.0000917600000000, 0.0000412300000000, -0.0002361400000000 ] - [ -0.0003060600000000, -0.0006720000000000, -0.0004000800000000 ] - [ -0.0002600200000000, -0.0003451200000000, -0.0004996300000000 ] - [ -0.0006121400000000, 0.0012206500000000, 0.0008044700000000 ] - [ -0.0000913800000000, -0.0003050200000000, -0.0001258800000000 ] - [ 0.0000880300000000, -0.0001709100000000, 0.0000000500000000 ] - [ -0.0000465000000000, 0.0001978900000000, -0.0000404200000000 ] - [ -0.0001155400000000, 0.0002191200000000, 0.0001599200000000 ] - [ 0.0001549800000000, 0.0005611200000000, -0.0001536900000000 ] - [ 0.0000055600000000, -0.0000414300000000, -0.0001892600000000 ] - [ -0.0000024900000000, 0.0001842900000000, 0.0001223200000000 ] - [ -0.0266495200000000, 0.0037728500000000, 0.0675941500000000 ] - [ 0.0001254100000000, 0.0004297800000000, -0.0000653300000000 ] - [ 0.0000312600000000, 0.0001028800000000, -0.0002599700000000 ] - [ 0.0038994700000000, -0.0032452700000000, 0.0105362900000000 ] - [ 0.0001336800000000, 0.0001694200000000, -0.0001891200000000 ] - [ 0.0000036900000000, 0.0002948400000000, 0.0000003100000000 ] - [ 0.0003724200000000, 0.0003808200000000, -0.0004870200000000 ] - [ -0.0000186300000000, -0.0001007900000000, 0.0001358900000000 ] - [ -0.0004571600000000, -0.0006151500000000, -0.0001112300000000 ] - [ 0.0117582800000000, 0.0004210400000000, 0.0118845700000000 ] - [ -0.0055084400000000, 0.0005137500000000, 0.0065692700000000 ] - [ 0.0002227300000000, -0.0000563900000000, -0.0000276800000000 ] - [ -0.0001872000000000, -0.0002071300000000, -0.0006347900000000 ] - [ -0.0010347900000000, 0.0002805700000000, -0.0004221900000000 ] - [ -0.0000888800000000, 0.0003310600000000, -0.0003218900000000 ] - [ -0.0044048500000000, -0.0006333700000000, 0.0103049600000000 ] - [ 0.0052673500000000, -0.0021578800000000, 0.0055247600000000 ] - [ -0.0003232900000000, -0.0002470600000000, -0.0001010700000000 ] - [ -0.0000534600000000, 0.0000754400000000, -0.0004759200000000 ] - [ 0.0004846900000000, -0.0001838500000000, -0.0000914200000000 ] - [ -0.0000379400000000, 0.0001549000000000, -0.0005041900000000 ] - [ -0.0003994200000000, 0.0007421300000000, -0.0001127100000000 ] - [ -0.0005869100000000, 0.0004451700000000, -0.0001541800000000 ] - [ 0.0004482400000000, 0.0001450800000000, -0.0002375200000000 ] - [ -0.0029564900000000, -0.0116859200000000, -0.0098332200000000 ] - [ -0.0001097000000000, 0.0000356600000000, -0.0001829100000000 ] - [ 0.0004217500000000, -0.0001410300000000, -0.0016089800000000 ] - [ 0.0004106500000000, 0.0003371300000000, 0.0000144600000000 ] - [ -0.0001263200000000, -0.0000480300000000, 0.0003401400000000 ] - [ -0.0000574200000000, 0.0002001400000000, 0.0004804900000000 ] - [ -0.0002125600000000, -0.0004429400000000, 0.0003105100000000 ] - [ 0.0134033400000000, 0.0077304600000000, -0.0281537400000000 ] - [ -0.0051797500000000, 0.0016529000000000, -0.0087000400000000 ] - [ 0.0000614200000000, -0.0000093000000000, -0.0001213500000000 ] - [ -0.0055724800000000, 0.0029688500000000, -0.0163942800000000 ] - [ -0.0002440500000000, -0.0002103500000000, 0.0001150900000000 ] - [ 0.0017581900000000, 0.0005054700000000, -0.0026600900000000 ] - [ 0.0000108700000000, -0.0004330000000000, 0.0002814300000000 ] - [ 0.0001985000000000, -0.0002509900000000, -0.0022385800000000 ] - [ -0.0027221300000000, 0.0008601100000000, -0.0035108500000000 ] - [ 0.0005261700000000, 0.0008645600000000, -0.0039198600000000 ] - [ 0.0002442600000000, -0.0002932300000000, 0.0007683500000000 ] - [ 0.0001248400000000, 0.0001246200000000, 0.0000625400000000 ] - [ -0.0002900100000000, 0.0002010300000000, -0.0001143000000000 ] - [ 0.0000951300000000, -0.0000497700000000, 0.0003809900000000 ] - [ -0.0012957900000000, 0.0043940700000000, -0.0012748900000000 ] - [ 0.0002253400000000, 0.0000139200000000, -0.0001494100000000 ] - [ -0.0018503700000000, -0.0008970400000000, -0.0029840200000000 ] - [ 0.0000952300000000, -0.0001119900000000, 0.0001177300000000 ] - [ 0.0004262600000000, 0.0001286900000000, 0.0000813400000000 ] - [ 0.0000889800000000, 0.0001667700000000, -0.0000667000000000 ] - [ 0.0001302000000000, 0.0002446700000000, -0.0013212100000000 ] - [ 0.0148549400000000, 0.0027514300000000, -0.0181893000000000 ] - [ 0.0001744700000000, 0.0002447100000000, 0.0000940700000000 ] - [ 0.0050189700000000, -0.0118321200000000, -0.0083091600000000 ] - [ 0.0002666400000000, 0.0000073200000000, 0.0002166000000000 ] - [ 0.0000539500000000, -0.0000027000000000, -0.0001056100000000 ] - [ -0.0000559200000000, 0.0000203000000000, -0.0001511400000000 ] - [ 0.0002461700000000, -0.0001495900000000, 0.0001714600000000 ] - [ 0.0000108700000000, 0.0004312600000000, 0.0003384200000000 ] - [ -0.0002120200000000, -0.0000360600000000, 0.0003569200000000 ] - [ -0.0001353400000000, 0.0002487800000000, 0.0003844700000000 ] - [ -0.0001321400000000, -0.0004377800000000, 0.0001449600000000 ] - [ 0.0003914900000000, -0.0001574600000000, 0.0000014400000000 ] - [ 0.0000913900000000, -0.0002029000000000, -0.0000393500000000 ] - [ 0.0003367700000000, 0.0000098600000000, 0.0001458800000000 ] - [ -0.0001922600000000, -0.0000015600000000, 0.0002558300000000 ] - [ -0.0001267800000000, -0.0001963400000000, 0.0001463400000000 ] - [ 0.0000241800000000, 0.0000281000000000, -0.0000536700000000 ] - [ 0.0003332700000000, 0.0014715700000000, -0.0004409500000000 ] - [ -0.0000645200000000, -0.0001236700000000, 0.0003345300000000 ] - [ 0.0002157000000000, 0.0000084000000000, -0.0000511900000000 ] - [ -0.0002679600000000, -0.0001234500000000, -0.0002186100000000 ] - [ 0.0002359800000000, -0.0002491000000000, -0.0000807400000000 ] - [ 0.0002565000000000, 0.0001921000000000, -0.0001434100000000 ] - [ -0.0002462700000000, 0.0001563100000000, -0.0001373200000000 ] - [ 0.0000324700000000, -0.0000856700000000, 0.0000715700000000 ] - [ -0.0001028500000000, -0.0000382200000000, -0.0000948500000000 ] - [ -0.0011330000000000, 0.0010469500000000, -0.0020227900000000 ] - [ -0.0001680400000000, 0.0002566900000000, 0.0002265900000000 ] - [ 0.0001917400000000, 0.0000043400000000, -0.0000417600000000 ] - [ 0.0003488400000000, -0.0000243700000000, 0.0001601600000000 ] - [ 0.0000722100000000, 0.0000620100000000, 0.0003206600000000 ] - [ 0.0001612500000000, -0.0001482700000000, 0.0000331300000000 ] - [ -0.0001598100000000, 0.0003547400000000, 0.0001462800000000 ] - [ 0.0000036400000000, 0.0002047700000000, 0.0001017700000000 ] - [ -0.0000902900000000, -0.0003302600000000, 0.0003604600000000 ] - [ 0.0002105000000000, 0.0000445200000000, 0.0002179600000000 ]- atom: 18 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ 0.0003563800000000, -0.0007677600000000, 0.0010291600000000 ] - [ 0.0006880800000000, -0.0005911400000000, 0.0005987900000000 ] - [ -0.0003487000000000, 0.0005589300000000, -0.0007440600000000 ] - [ -0.0010386700000000, -0.0009458000000000, 0.0000852600000000 ] - [ -0.0003587700000000, 0.0004023600000000, 0.0000800500000000 ] - [ 0.0003256200000000, 0.0010227000000000, -0.0012712000000000 ] - [ 0.0001976600000000, 0.0000440500000000, -0.0002890700000000 ] - [ 0.0008508200000000, -0.0000538800000000, 0.0000811100000000 ] - [ -0.0001377200000000, -0.0001921800000000, 0.0001111300000000 ] - [ -0.0000665400000000, -0.0001932500000000, -0.0000585600000000 ] - [ 0.0000150200000000, -0.0001560200000000, 0.0001657600000000 ] - [ 0.0001400100000000, 0.0000447600000000, -0.0000674300000000 ] - [ 0.0007573900000000, 0.0003291600000000, 0.0002549600000000 ] - [ 0.0000218700000000, 0.0001129500000000, -0.0001906900000000 ] - [ -0.0008391600000000, 0.0011069700000000, -0.0001573800000000 ] - [ -0.0002104500000000, -0.0000398300000000, 0.0001462300000000 ] - [ -0.0001796800000000, -0.0002840400000000, -0.0003638400000000 ] - [ -0.0594932100000000, 0.0009481000000000, 0.0030276100000000 ] - [ 0.0120566600000000, 0.0000296000000000, -0.0001673900000000 ] - [ 0.0001573800000000, -0.0000617600000000, 0.0002802700000000 ] - [ 0.0002540900000000, 0.0001391200000000, -0.0000840000000000 ] - [ 0.0001752500000000, 0.0001643300000000, 0.0001131000000000 ] - [ -0.0000422300000000, -0.0001602700000000, -0.0001644400000000 ] - [ -0.0003144000000000, -0.0007780700000000, -0.0000793200000000 ] - [ 0.0003869200000000, -0.0008840000000000, -0.0001652100000000 ] - [ -0.0006812700000000, -0.0003417200000000, -0.0001555500000000 ] - [ 0.0010558800000000, -0.0007678800000000, -0.0004210000000000 ] - [ 0.0112657600000000, -0.0038373300000000, 0.0031590100000000 ] - [ 0.0009546200000000, 0.0021099000000000, -0.0035118900000000 ] - [ -0.0003131500000000, 0.0005357500000000, -0.0001299300000000 ] - [ 0.0113332100000000, 0.0042147300000000, -0.0032220000000000 ] - [ 0.0008200100000000, 0.0002149300000000, 0.0001618100000000 ] - [ -0.0003833300000000, -0.0007366400000000, -0.0000934600000000 ] - [ 0.0003039700000000, 0.0002574900000000, 0.0001098200000000 ] - [ -0.0001189900000000, -0.0001328000000000, -0.0004411600000000 ] - [ 0.0003285300000000, -0.0003761800000000, 0.0003410200000000 ] - [ -0.0000314000000000, 0.0002204500000000, -0.0003526900000000 ] - [ -0.0025135000000000, -0.0022519200000000, 0.0033990800000000 ] - [ -0.0003073600000000, 0.0005085000000000, -0.0004730300000000 ] - [ 0.0000987700000000, 0.0002525400000000, -0.0001019300000000 ] - [ 0.0001400700000000, 0.0000689200000000, -0.0001689400000000 ] - [ -0.0014268800000000, 0.0034626400000000, -0.0004523200000000 ] - [ -0.0000581300000000, 0.0000792000000000, 0.0003971100000000 ] - [ -0.0000184800000000, 0.0004434000000000, 0.0004989400000000 ] - [ -0.0035972600000000, -0.0000379500000000, 0.0007492400000000 ] - [ -0.0007337200000000, -0.0005809900000000, 0.0010676400000000 ] - [ 0.0081843900000000, -0.0002383800000000, 0.0084162200000000 ] - [ 0.0005479400000000, -0.0000791600000000, 0.0000901800000000 ] - [ 0.0000604400000000, -0.0001328600000000, -0.0001039000000000 ] - [ -0.0002709900000000, 0.0012113400000000, -0.0005607100000000 ] - [ -0.0000708200000000, -0.0000959800000000, 0.0003264800000000 ] - [ -0.0014170400000000, -0.0019669700000000, 0.0011603300000000 ] - [ -0.0001521300000000, 0.0005654200000000, -0.0001813800000000 ] - [ -0.0003124900000000, -0.0005023700000000, 0.0003568400000000 ] - [ -0.0003269400000000, -0.0002520800000000, 0.0000270300000000 ] - [ 0.0002808100000000, -0.0000256400000000, -0.0001077600000000 ] - [ -0.0003167700000000, -0.0001036700000000, -0.0002190800000000 ] - [ 0.0000873500000000, -0.0005168700000000, -0.0001728200000000 ] - [ 0.0036701700000000, 0.0037899100000000, -0.0018689300000000 ] - [ 0.0049919700000000, -0.0027517800000000, -0.0119480800000000 ] - [ 0.0000883000000000, -0.0006435800000000, 0.0013965300000000 ] - [ -0.0008721000000000, -0.0003446600000000, -0.0000333400000000 ] - [ 0.0001166100000000, 0.0003362200000000, 0.0001655500000000 ] - [ -0.0001437900000000, 0.0000870200000000, -0.0000174600000000 ] - [ 0.0067321300000000, 0.0006370600000000, 0.0124173600000000 ] - [ -0.0028904000000000, 0.0000872800000000, -0.0002087000000000 ] - [ 0.0120203300000000, -0.0003230400000000, -0.0123260900000000 ] - [ 0.0001451900000000, -0.0001778400000000, -0.0000157900000000 ] - [ -0.0001257500000000, 0.0004789900000000, 0.0001585100000000 ] - [ -0.0014839800000000, 0.0021170900000000, -0.0013060200000000 ] - [ -0.0002931600000000, 0.0000674500000000, 0.0004691600000000 ] - [ 0.0016985900000000, -0.0013362000000000, 0.0016824600000000 ] - [ -0.0000408100000000, -0.0000409800000000, -0.0002519500000000 ] - [ -0.0001338100000000, 0.0000336600000000, -0.0002569100000000 ] - [ 0.0002958700000000, 0.0000527700000000, 0.0001525600000000 ] - [ -0.0007931600000000, -0.0031948900000000, 0.0004419800000000 ] - [ -0.0000642000000000, 0.0000688700000000, 0.0002312200000000 ] - [ -0.0000331500000000, 0.0000670400000000, 0.0003728800000000 ] - [ -0.0001844700000000, -0.0004873200000000, 0.0002304200000000 ] - [ 0.0002934900000000, -0.0002163100000000, -0.0001446000000000 ] - [ 0.0001903800000000, -0.0001611900000000, -0.0000250200000000 ] - [ 0.0001445700000000, 0.0002393000000000, -0.0001824600000000 ] - [ -0.0002079000000000, -0.0000654100000000, 0.0002077000000000 ] - [ -0.0002414000000000, -0.0003057800000000, 0.0000868900000000 ] - [ 0.0000618100000000, 0.0001065300000000, 0.0000460200000000 ] - [ -0.0000647300000000, -0.0004355200000000, 0.0002906400000000 ] - [ 0.0000592000000000, -0.0003032400000000, 0.0000594600000000 ] - [ 0.0004343900000000, -0.0002013400000000, 0.0000662500000000 ] - [ -0.0001283300000000, -0.0001722600000000, -0.0002366400000000 ] - [ 0.0012464800000000, -0.0000343700000000, -0.0017584400000000 ] - [ 0.0001678800000000, 0.0003244700000000, 0.0000051000000000 ] - [ -0.0003696400000000, 0.0002019400000000, -0.0002671300000000 ] - [ -0.0000300300000000, 0.0003010100000000, 0.0000114700000000 ] - [ -0.0001353100000000, -0.0001291600000000, -0.0000968600000000 ] - [ 0.0002155000000000, 0.0002353600000000, -0.0001089900000000 ] - [ -0.0005261400000000, -0.0001539000000000, 0.0001103300000000 ] - [ 0.0000971300000000, -0.0000548200000000, -0.0000238000000000 ] - [ 0.0005174000000000, 0.0001027700000000, 0.0000477900000000 ] - [ 0.0000892400000000, 0.0002819400000000, -0.0001233300000000 ] - [ -0.0002010600000000, 0.0004048900000000, 0.0002989400000000 ] - [ -0.0002587100000000, 0.0005056800000000, 0.0001095300000000 ] - [ 0.0000513100000000, 0.0003211500000000, 0.0000070400000000 ] - [ -0.0000584500000000, -0.0001840300000000, 0.0003523200000000 ] - [ 0.0001878400000000, -0.0000936500000000, 0.0002204200000000 ]- atom: 18 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0005667300000000, 0.0004214300000000, -0.0007430600000000 ] - [ -0.0007548700000000, 0.0002694100000000, -0.0007232000000000 ] - [ 0.0003113700000000, -0.0008313700000000, 0.0009957300000000 ] - [ 0.0009740100000000, 0.0012667100000000, -0.0002101700000000 ] - [ 0.0001474700000000, -0.0000560300000000, 0.0002056500000000 ] - [ -0.0003363700000000, -0.0008300600000000, 0.0008741500000000 ] - [ -0.0002078700000000, -0.0002353200000000, -0.0001097900000000 ] - [ -0.0008888100000000, 0.0003280300000000, 0.0001703200000000 ] - [ -0.0000736000000000, -0.0001541800000000, 0.0001748700000000 ] - [ 0.0000000400000000, -0.0001278100000000, -0.0000654500000000 ] - [ -0.0000518200000000, -0.0001177600000000, 0.0000843000000000 ] - [ -0.0002066800000000, 0.0002764900000000, -0.0000566900000000 ] - [ -0.0009705100000000, 0.0000174300000000, 0.0000286700000000 ] - [ -0.0000320300000000, 0.0000788800000000, -0.0002081600000000 ] - [ 0.0008323200000000, -0.0012988100000000, -0.0002402200000000 ] - [ 0.0001736500000000, 0.0003149700000000, 0.0001040000000000 ] - [ 0.0003500000000000, 0.0005295300000000, 0.0000121600000000 ] - [ 0.0595674500000000, -0.0007352900000000, -0.0025214000000000 ] - [ -0.0117945600000000, -0.0002685400000000, -0.0001847300000000 ] - [ -0.0000872300000000, -0.0002849700000000, -0.0000308700000000 ] - [ -0.0000850600000000, 0.0001077600000000, -0.0002681500000000 ] - [ -0.0001060300000000, 0.0001804000000000, 0.0001358900000000 ] - [ 0.0002131700000000, -0.0000842300000000, -0.0001875900000000 ] - [ 0.0003853700000000, 0.0004312300000000, 0.0003277800000000 ] - [ -0.0012205500000000, -0.0005041600000000, -0.0000018800000000 ] - [ 0.0001746400000000, -0.0002714000000000, -0.0001097100000000 ] - [ -0.0012007500000000, 0.0005581500000000, -0.0003814500000000 ] - [ -0.0105719400000000, 0.0034597300000000, -0.0029586900000000 ] - [ -0.0011239400000000, -0.0018952700000000, 0.0026990700000000 ] - [ -0.0005229600000000, 0.0008531100000000, -0.0000378800000000 ] - [ -0.0119254200000000, -0.0036158400000000, 0.0029025800000000 ] - [ -0.0000609500000000, 0.0001907600000000, -0.0000101100000000 ] - [ -0.0004516000000000, -0.0006504900000000, -0.0000745700000000 ] - [ -0.0008103300000000, -0.0008710500000000, -0.0003754400000000 ] - [ -0.0000251100000000, -0.0000788000000000, -0.0003615900000000 ] - [ 0.0004304400000000, -0.0000283900000000, -0.0001906400000000 ] - [ -0.0001133200000000, -0.0000088400000000, -0.0004505300000000 ] - [ 0.0016491900000000, 0.0036318800000000, -0.0035644600000000 ] - [ -0.0001992500000000, 0.0001053300000000, 0.0002086500000000 ] - [ 0.0006607300000000, 0.0001520600000000, 0.0002530400000000 ] - [ -0.0000012700000000, -0.0001191500000000, -0.0001037400000000 ] - [ 0.0012288700000000, -0.0033371500000000, 0.0001380100000000 ] - [ 0.0005292900000000, -0.0001501600000000, -0.0000521000000000 ] - [ 0.0000184600000000, 0.0004399900000000, 0.0001465000000000 ] - [ 0.0032647000000000, 0.0000721200000000, -0.0002692800000000 ] - [ 0.0005710600000000, 0.0010467900000000, -0.0003653700000000 ] - [ -0.0082378300000000, -0.0004964900000000, -0.0077148500000000 ] - [ 0.0003067900000000, -0.0002226200000000, -0.0000459800000000 ] - [ 0.0001257900000000, -0.0002559700000000, -0.0000167100000000 ] - [ 0.0004096200000000, -0.0011549000000000, 0.0002886000000000 ] - [ -0.0002448700000000, 0.0000589500000000, 0.0001660000000000 ] - [ 0.0009911300000000, 0.0016987200000000, -0.0011265000000000 ] - [ 0.0002418200000000, -0.0004903000000000, 0.0001811500000000 ] - [ 0.0003112100000000, -0.0003782700000000, 0.0002787200000000 ] - [ 0.0003420000000000, -0.0002720300000000, -0.0000012400000000 ] - [ 0.0000757700000000, 0.0000384700000000, 0.0000151200000000 ] - [ -0.0002835900000000, -0.0002159700000000, -0.0002721800000000 ] - [ 0.0003758800000000, 0.0000854700000000, -0.0000587600000000 ] - [ -0.0033591800000000, -0.0033080700000000, 0.0018842200000000 ] - [ -0.0058343300000000, 0.0032360700000000, 0.0118301400000000 ] - [ 0.0000076500000000, 0.0005751300000000, -0.0013904800000000 ] - [ 0.0006713900000000, 0.0002583900000000, -0.0002788400000000 ] - [ 0.0003457000000000, 0.0000956000000000, -0.0003986800000000 ] - [ -0.0002895400000000, 0.0001805800000000, 0.0000471000000000 ] - [ -0.0066622600000000, -0.0007434800000000, -0.0129439200000000 ] - [ 0.0037270900000000, 0.0002156000000000, 0.0002653300000000 ] - [ -0.0114659900000000, 0.0006217000000000, 0.0117414700000000 ] - [ 0.0001467600000000, -0.0001591600000000, 0.0000708100000000 ] - [ -0.0002298100000000, 0.0003343900000000, 0.0001758800000000 ] - [ 0.0015026100000000, -0.0015942100000000, 0.0013289600000000 ] - [ 0.0001300000000000, -0.0005343400000000, 0.0002312500000000 ] - [ -0.0012295400000000, 0.0012955000000000, -0.0012916900000000 ] - [ 0.0001806900000000, -0.0000093900000000, -0.0000188400000000 ] - [ -0.0000690500000000, 0.0000520800000000, -0.0000589200000000 ] - [ 0.0001753200000000, -0.0001236500000000, 0.0001956000000000 ] - [ 0.0008089900000000, 0.0040380400000000, 0.0002048800000000 ] - [ -0.0002518900000000, -0.0000321600000000, 0.0002612400000000 ] - [ -0.0001308700000000, 0.0004011000000000, 0.0003281800000000 ] - [ -0.0001704800000000, -0.0003251700000000, 0.0001040700000000 ] - [ 0.0005610900000000, -0.0000856900000000, 0.0001877300000000 ] - [ -0.0000042900000000, -0.0002282400000000, -0.0000937900000000 ] - [ -0.0000060700000000, -0.0001886900000000, -0.0000899600000000 ] - [ -0.0001072100000000, 0.0000293500000000, 0.0002842400000000 ] - [ -0.0001911600000000, 0.0000376200000000, -0.0000582000000000 ] - [ 0.0000283700000000, -0.0000315000000000, -0.0000480000000000 ] - [ 0.0000645800000000, -0.0004472800000000, 0.0003554800000000 ] - [ -0.0000436800000000, -0.0002200700000000, -0.0000329400000000 ] - [ -0.0000779300000000, 0.0002148900000000, -0.0001594700000000 ] - [ -0.0004722100000000, -0.0001470800000000, -0.0002547000000000 ] - [ -0.0007773800000000, -0.0004033100000000, 0.0015202500000000 ] - [ 0.0001243200000000, 0.0000131400000000, 0.0000497100000000 ] - [ -0.0002308100000000, 0.0001182200000000, -0.0002242500000000 ] - [ 0.0001206300000000, -0.0003753800000000, -0.0000131400000000 ] - [ -0.0000673000000000, 0.0000437900000000, -0.0002191600000000 ] - [ 0.0002469600000000, 0.0001954100000000, -0.0001222100000000 ] - [ 0.0000921800000000, 0.0004231800000000, -0.0000794700000000 ] - [ 0.0002591600000000, 0.0000422400000000, -0.0000688600000000 ] - [ 0.0003368400000000, 0.0001997900000000, -0.0000038900000000 ] - [ 0.0000969300000000, 0.0001073100000000, 0.0000030300000000 ] - [ 0.0004908100000000, -0.0007383700000000, -0.0002408300000000 ] - [ -0.0000964900000000, 0.0003077800000000, 0.0002260700000000 ] - [ -0.0000357600000000, 0.0002040700000000, 0.0000201500000000 ] - [ -0.0001051100000000, -0.0002829800000000, 0.0003489400000000 ] - [ 0.0002838500000000, 0.0001650700000000, 0.0001276900000000 ]- atom: 18 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003454900000000, -0.0011036300000000, 0.0004052300000000 ] - [ 0.0000260500000000, -0.0009347500000000, -0.0000241800000000 ] - [ 0.0006584200000000, -0.0013164300000000, -0.0007532200000000 ] - [ -0.0008134300000000, 0.0012902900000000, 0.0010350000000000 ] - [ -0.0003570000000000, 0.0009817100000000, 0.0000802000000000 ] - [ 0.0002024700000000, -0.0010399700000000, 0.0000977600000000 ] - [ 0.0002141500000000, 0.0003640700000000, -0.0003518900000000 ] - [ 0.0003804700000000, 0.0003141100000000, 0.0003980000000000 ] - [ -0.0000106900000000, 0.0001498500000000, 0.0001008600000000 ] - [ 0.0000716000000000, 0.0001637100000000, -0.0000902300000000 ] - [ -0.0001307900000000, 0.0001743600000000, 0.0000738400000000 ] - [ -0.0002731500000000, 0.0006041700000000, -0.0002431800000000 ] - [ -0.0004521900000000, 0.0002244300000000, 0.0003297800000000 ] - [ -0.0000822700000000, 0.0004344700000000, -0.0002239700000000 ] - [ 0.0008932800000000, 0.0007271300000000, 0.0010779300000000 ] - [ 0.0001597700000000, 0.0010514100000000, 0.0000327800000000 ] - [ -0.0000136200000000, 0.0006059600000000, -0.0004823300000000 ] - [ 0.0008314100000000, -0.0547225100000000, 0.0012148600000000 ] - [ 0.0000346900000000, -0.0059731700000000, -0.0034464400000000 ] - [ -0.0000759500000000, 0.0004996900000000, -0.0000285200000000 ] - [ -0.0005177100000000, 0.0007120800000000, -0.0005154700000000 ] - [ 0.0000269400000000, 0.0010883000000000, 0.0001693200000000 ] - [ 0.0001389700000000, 0.0007010900000000, -0.0000799300000000 ] - [ 0.0006410000000000, 0.0006425400000000, -0.0001218200000000 ] - [ -0.0010939200000000, -0.0024663400000000, 0.0001679400000000 ] - [ -0.0004996600000000, 0.0002038000000000, 0.0003694100000000 ] - [ 0.0005162400000000, -0.0014604500000000, -0.0008396200000000 ] - [ -0.0035981100000000, -0.0008219600000000, -0.0026898100000000 ] - [ 0.0134186000000000, 0.0046985900000000, 0.0072847100000000 ] - [ -0.0002313800000000, 0.0013693200000000, 0.0000327500000000 ] - [ 0.0023222000000000, -0.0013029300000000, -0.0011035600000000 ] - [ 0.0008701600000000, -0.0001182900000000, -0.0006742700000000 ] - [ -0.0004964800000000, -0.0002636300000000, -0.0002185800000000 ] - [ -0.0004366900000000, -0.0004873100000000, -0.0007369300000000 ] - [ -0.0000838400000000, 0.0004165500000000, -0.0005348000000000 ] - [ 0.0001968700000000, 0.0005492000000000, -0.0005525700000000 ] - [ -0.0001544400000000, 0.0009017000000000, -0.0002527900000000 ] - [ -0.0156479900000000, 0.0038398300000000, 0.0039592300000000 ] - [ -0.0001605400000000, 0.0009813500000000, -0.0007904600000000 ] - [ 0.0005184300000000, 0.0005852700000000, 0.0006574200000000 ] - [ 0.0002222500000000, -0.0004352300000000, -0.0000952000000000 ] - [ 0.0001289900000000, 0.0026049200000000, -0.0000935200000000 ] - [ 0.0001525200000000, 0.0001170100000000, 0.0006595300000000 ] - [ -0.0000065100000000, 0.0004141200000000, 0.0002613900000000 ] - [ 0.0011358400000000, 0.0011143300000000, 0.0012954200000000 ] - [ -0.0025257600000000, 0.0011580300000000, 0.0002904800000000 ] - [ -0.0004461300000000, 0.0010949000000000, 0.0015913900000000 ] - [ 0.0004325100000000, -0.0003168400000000, -0.0000370300000000 ] - [ 0.0000372200000000, -0.0003400600000000, -0.0000157700000000 ] - [ 0.0027120200000000, 0.0014154900000000, 0.0003260500000000 ] - [ -0.0003136700000000, 0.0000863600000000, 0.0004891200000000 ] - [ -0.0008325300000000, 0.0012494500000000, -0.0001363900000000 ] - [ 0.0000871900000000, 0.0004478700000000, -0.0001819100000000 ] - [ 0.0002311100000000, -0.0007009300000000, -0.0038991100000000 ] - [ -0.0001321500000000, -0.0001608900000000, 0.0001956200000000 ] - [ 0.0002102200000000, -0.0001291300000000, 0.0000052400000000 ] - [ -0.0003037100000000, -0.0001915200000000, -0.0001424000000000 ] - [ 0.0002806200000000, -0.0008354500000000, -0.0000291500000000 ] - [ 0.0086949000000000, 0.0236121100000000, -0.0077624900000000 ] - [ -0.0039423100000000, 0.0037790900000000, 0.0070914500000000 ] - [ -0.0022289700000000, -0.0011129300000000, -0.0015909100000000 ] - [ -0.0011342700000000, -0.0002402600000000, -0.0007039100000000 ] - [ 0.0003999500000000, 0.0007979300000000, -0.0002057200000000 ] - [ -0.0002065900000000, -0.0002630900000000, -0.0002276300000000 ] - [ 0.0015051600000000, 0.0019701600000000, 0.0032021600000000 ] - [ -0.0001384200000000, 0.0011759500000000, 0.0007967800000000 ] - [ 0.0020724300000000, 0.0003431300000000, 0.0004155600000000 ] - [ 0.0001382200000000, -0.0005701100000000, -0.0000034800000000 ] - [ 0.0000447700000000, 0.0008033000000000, 0.0005052600000000 ] - [ 0.0004899700000000, 0.0013385300000000, 0.0002230900000000 ] - [ -0.0000880900000000, 0.0000446800000000, 0.0005225600000000 ] - [ -0.0071096400000000, 0.0150278900000000, -0.0097929600000000 ] - [ 0.0005650300000000, 0.0001861800000000, 0.0007598200000000 ] - [ -0.0000364200000000, 0.0000439100000000, -0.0002617300000000 ] - [ 0.0002863300000000, -0.0005397300000000, 0.0002156600000000 ] - [ -0.0001619600000000, 0.0031133900000000, 0.0020072100000000 ] - [ -0.0002170900000000, -0.0003538200000000, 0.0002737100000000 ] - [ 0.0000193300000000, -0.0001484600000000, 0.0003314800000000 ] - [ -0.0002886100000000, -0.0005240800000000, 0.0001265800000000 ] - [ 0.0004939500000000, -0.0001698700000000, 0.0000437200000000 ] - [ 0.0001102200000000, 0.0000798700000000, 0.0009196100000000 ] - [ -0.0000139800000000, -0.0004155800000000, -0.0002293500000000 ] - [ -0.0001249800000000, -0.0001712200000000, 0.0001616900000000 ] - [ -0.0002516200000000, -0.0011612500000000, 0.0006019200000000 ] - [ 0.0000435200000000, -0.0002831500000000, -0.0000632300000000 ] - [ -0.0000009800000000, -0.0004101700000000, 0.0003756600000000 ] - [ -0.0000031900000000, -0.0005872800000000, -0.0002436900000000 ] - [ 0.0000544100000000, 0.0000308200000000, 0.0000025900000000 ] - [ -0.0003751800000000, -0.0002825500000000, -0.0003500400000000 ] - [ 0.0033803500000000, -0.0011135500000000, -0.0012744900000000 ] - [ 0.0001924700000000, -0.0002508300000000, 0.0000720200000000 ] - [ -0.0002354300000000, -0.0001750800000000, -0.0002488200000000 ] - [ -0.0000235800000000, -0.0008455000000000, 0.0000689300000000 ] - [ -0.0001088400000000, 0.0000823500000000, -0.0000615600000000 ] - [ 0.0001929500000000, -0.0000375900000000, -0.0001841300000000 ] - [ -0.0002305100000000, 0.0002811500000000, 0.0000553500000000 ] - [ 0.0001184300000000, -0.0003402400000000, -0.0000413800000000 ] - [ 0.0004709100000000, -0.0001881400000000, 0.0000607100000000 ] - [ 0.0000688200000000, 0.0000320200000000, -0.0000858800000000 ] - [ -0.0001320600000000, 0.0002521200000000, -0.0000594400000000 ] - [ -0.0000658700000000, 0.0002408000000000, 0.0003150400000000 ] - [ 0.0000367700000000, -0.0007826400000000, 0.0005541300000000 ] - [ -0.0001319300000000, -0.0006888600000000, 0.0003581100000000 ] - [ 0.0001552600000000, -0.0004354100000000, 0.0001138100000000 ]- atom: 18 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001351500000000, 0.0007591800000000, -0.0001186000000000 ] - [ -0.0000913700000000, 0.0006128900000000, -0.0000994000000000 ] - [ -0.0006936600000000, 0.0010402800000000, 0.0009997900000000 ] - [ 0.0007426500000000, -0.0009596600000000, -0.0011507500000000 ] - [ 0.0001462900000000, -0.0006336500000000, 0.0002058800000000 ] - [ -0.0002122100000000, 0.0012335200000000, -0.0004958800000000 ] - [ -0.0002237500000000, -0.0005543400000000, -0.0000463000000000 ] - [ -0.0004163200000000, -0.0000385500000000, -0.0001459000000000 ] - [ -0.0001999200000000, -0.0004950800000000, 0.0001854200000000 ] - [ -0.0001373300000000, -0.0004841000000000, -0.0000332300000000 ] - [ 0.0000944900000000, -0.0004475100000000, 0.0001768100000000 ] - [ 0.0002067100000000, -0.0002814600000000, 0.0001189400000000 ] - [ 0.0002408000000000, 0.0001220800000000, -0.0000443000000000 ] - [ 0.0000726700000000, -0.0002416600000000, -0.0001745000000000 ] - [ -0.0009070500000000, -0.0009255800000000, -0.0014817200000000 ] - [ -0.0001957000000000, -0.0007747600000000, 0.0002175500000000 ] - [ 0.0001839100000000, -0.0003600000000000, 0.0001303200000000 ] - [ -0.0008312700000000, 0.0553976400000000, -0.0010702500000000 ] - [ 0.0001227700000000, 0.0057246800000000, 0.0030938200000000 ] - [ 0.0001464200000000, -0.0008449900000000, 0.0002778800000000 ] - [ 0.0006876800000000, -0.0004661400000000, 0.0001634100000000 ] - [ 0.0000430700000000, -0.0007420400000000, 0.0000803300000000 ] - [ 0.0000326000000000, -0.0009441800000000, -0.0002714000000000 ] - [ -0.0005698000000000, -0.0009888400000000, 0.0003707500000000 ] - [ 0.0002609800000000, 0.0010848600000000, -0.0003317000000000 ] - [ -0.0000059300000000, -0.0008156500000000, -0.0006337600000000 ] - [ -0.0006577700000000, 0.0012484200000000, 0.0000353800000000 ] - [ 0.0043709300000000, 0.0004077300000000, 0.0028676000000000 ] - [ -0.0135025100000000, -0.0044275700000000, -0.0080602700000000 ] - [ -0.0006033600000000, 0.0000212200000000, -0.0002000600000000 ] - [ -0.0028099800000000, 0.0019312700000000, 0.0008171100000000 ] - [ -0.0001087200000000, 0.0005239500000000, 0.0008248000000000 ] - [ -0.0003380800000000, -0.0011233200000000, 0.0000505200000000 ] - [ -0.0000687000000000, -0.0001253300000000, 0.0004718500000000 ] - [ -0.0000594600000000, -0.0006265900000000, -0.0002673700000000 ] - [ 0.0005624500000000, -0.0009522700000000, 0.0007028600000000 ] - [ 0.0000105700000000, -0.0006889300000000, -0.0005496400000000 ] - [ 0.0148651900000000, -0.0025139300000000, -0.0041381500000000 ] - [ -0.0003453800000000, -0.0003663100000000, 0.0005260400000000 ] - [ 0.0002419800000000, -0.0001798300000000, -0.0005064600000000 ] - [ -0.0000829300000000, 0.0003845900000000, -0.0001772700000000 ] - [ -0.0003214500000000, -0.0024971300000000, -0.0002132900000000 ] - [ 0.0003169400000000, -0.0001855500000000, -0.0003128500000000 ] - [ 0.0000070500000000, 0.0004702200000000, 0.0003855100000000 ] - [ -0.0014567400000000, -0.0010778400000000, -0.0008075900000000 ] - [ 0.0023470500000000, -0.0006889700000000, 0.0004030800000000 ] - [ 0.0000467700000000, -0.0019586300000000, -0.0013079400000000 ] - [ 0.0004227000000000, 0.0000151000000000, 0.0000819700000000 ] - [ 0.0001493800000000, -0.0000475900000000, -0.0001037600000000 ] - [ -0.0025860100000000, -0.0013616200000000, -0.0005912100000000 ] - [ -0.0000030800000000, -0.0001228300000000, 0.0000050700000000 ] - [ 0.0004035200000000, -0.0015230300000000, 0.0001712000000000 ] - [ 0.0000035800000000, -0.0003703000000000, 0.0001812200000000 ] - [ -0.0002317300000000, -0.0001866500000000, 0.0045416500000000 ] - [ 0.0001478500000000, -0.0003624100000000, -0.0001690400000000 ] - [ 0.0001469200000000, 0.0001429100000000, -0.0000963900000000 ] - [ -0.0002958000000000, -0.0001272100000000, -0.0003488300000000 ] - [ 0.0001830400000000, 0.0004045000000000, -0.0002017200000000 ] - [ -0.0084639400000000, -0.0244866300000000, 0.0082821700000000 ] - [ 0.0033396600000000, -0.0035130800000000, -0.0075921900000000 ] - [ 0.0023207000000000, 0.0010468200000000, 0.0015898600000000 ] - [ 0.0009332600000000, 0.0001552600000000, 0.0003907800000000 ] - [ 0.0000626800000000, -0.0003660800000000, -0.0000252600000000 ] - [ -0.0002262900000000, 0.0005299600000000, 0.0002575200000000 ] - [ -0.0010690000000000, -0.0019420200000000, -0.0031995000000000 ] - [ 0.0009859700000000, -0.0008711800000000, -0.0007469000000000 ] - [ -0.0019658100000000, 0.0001043900000000, -0.0004558600000000 ] - [ 0.0001549700000000, 0.0002325800000000, 0.0000589300000000 ] - [ -0.0003984600000000, 0.0000110300000000, -0.0001699600000000 ] - [ -0.0004716700000000, -0.0008060700000000, -0.0002036700000000 ] - [ -0.0000757100000000, -0.0005090900000000, 0.0001801700000000 ] - [ 0.0076380900000000, -0.0141529000000000, 0.0096965400000000 ] - [ -0.0004267900000000, -0.0002355100000000, -0.0010335700000000 ] - [ -0.0001657800000000, 0.0000420400000000, -0.0000545500000000 ] - [ 0.0001857500000000, 0.0004698800000000, 0.0001331300000000 ] - [ 0.0001728800000000, -0.0022507400000000, -0.0013709200000000 ] - [ -0.0000986900000000, 0.0003907700000000, 0.0002188600000000 ] - [ -0.0001826200000000, 0.0006156200000000, 0.0003704600000000 ] - [ -0.0000655900000000, -0.0002876200000000, 0.0002079700000000 ] - [ 0.0003609600000000, -0.0001320600000000, 0.0000014700000000 ] - [ 0.0000769200000000, -0.0004694500000000, -0.0010367100000000 ] - [ 0.0001528900000000, 0.0004676000000000, -0.0000431100000000 ] - [ -0.0001902600000000, 0.0001358400000000, 0.0003308400000000 ] - [ -0.0001806600000000, 0.0008925200000000, -0.0005719600000000 ] - [ 0.0000470900000000, 0.0003583700000000, 0.0000618300000000 ] - [ 0.0000014700000000, -0.0004723000000000, 0.0002715800000000 ] - [ 0.0000193100000000, 0.0000653200000000, 0.0002708800000000 ] - [ 0.0003030100000000, -0.0000171300000000, -0.0000940100000000 ] - [ -0.0002245700000000, -0.0000359300000000, -0.0001408500000000 ] - [ -0.0029052700000000, 0.0006731000000000, 0.0010429800000000 ] - [ 0.0001009200000000, 0.0005893700000000, -0.0000167800000000 ] - [ -0.0003640000000000, 0.0004953600000000, -0.0002424200000000 ] - [ 0.0001149600000000, 0.0007717200000000, -0.0000701200000000 ] - [ -0.0000930500000000, -0.0001662500000000, -0.0002543700000000 ] - [ 0.0002701200000000, 0.0004691300000000, -0.0000465200000000 ] - [ -0.0002022000000000, -0.0000130700000000, -0.0000242800000000 ] - [ 0.0002387400000000, 0.0003283400000000, -0.0000503100000000 ] - [ 0.0003838800000000, 0.0004913000000000, -0.0000158800000000 ] - [ 0.0001178300000000, 0.0003573900000000, -0.0000334700000000 ] - [ 0.0004250700000000, -0.0005897800000000, 0.0001161700000000 ] - [ -0.0002883400000000, 0.0005721900000000, 0.0000208900000000 ] - [ -0.0000201900000000, 0.0013083400000000, -0.0005266300000000 ] - [ -0.0000313600000000, 0.0002232800000000, 0.0003444900000000 ] - [ 0.0003169800000000, 0.0005063500000000, 0.0002350400000000 ]- atom: 18 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0000848700000000, -0.0005933400000000, 0.0006185000000000 ] - [ -0.0000137600000000, -0.0006036700000000, 0.0000240900000000 ] - [ -0.0000733000000000, -0.0010707600000000, 0.0014079100000000 ] - [ 0.0004743500000000, 0.0016174200000000, -0.0004537400000000 ] - [ -0.0000178000000000, -0.0000490800000000, 0.0001871300000000 ] - [ -0.0005312600000000, -0.0010869300000000, 0.0007759300000000 ] - [ -0.0000759900000000, -0.0001312000000000, -0.0000829300000000 ] - [ -0.0002398700000000, 0.0005916600000000, -0.0000015200000000 ] - [ -0.0000940200000000, -0.0001252100000000, 0.0001567100000000 ] - [ -0.0000230900000000, -0.0001066800000000, -0.0000726400000000 ] - [ -0.0000310700000000, -0.0000853700000000, 0.0000985300000000 ] - [ -0.0000965900000000, 0.0001997100000000, 0.0000274700000000 ] - [ -0.0004825400000000, 0.0004526900000000, -0.0001089100000000 ] - [ -0.0000162700000000, 0.0001320600000000, -0.0002189100000000 ] - [ 0.0002170900000000, 0.0007345400000000, -0.0005171000000000 ] - [ 0.0000812500000000, 0.0000454700000000, 0.0001853200000000 ] - [ 0.0000931000000000, 0.0004801100000000, 0.0000494800000000 ] - [ 0.0224436600000000, 0.0008361900000000, -0.0586951200000000 ] - [ -0.0038443500000000, -0.0036917700000000, -0.0106097400000000 ] - [ 0.0001420700000000, -0.0000653100000000, 0.0002387600000000 ] - [ 0.0001656100000000, 0.0001320400000000, -0.0000338400000000 ] - [ -0.0000217400000000, 0.0002166700000000, 0.0001432200000000 ] - [ 0.0001481800000000, -0.0000424300000000, -0.0001835100000000 ] - [ -0.0000426300000000, 0.0002592100000000, 0.0003661900000000 ] - [ -0.0008982400000000, -0.0008467400000000, 0.0004489200000000 ] - [ -0.0001166200000000, -0.0002496800000000, -0.0000001500000000 ] - [ -0.0006012100000000, -0.0005355800000000, -0.0000863000000000 ] - [ -0.0115279300000000, 0.0008945000000000, -0.0121710300000000 ] - [ -0.0053336000000000, -0.0006844100000000, -0.0055345500000000 ] - [ -0.0004718600000000, 0.0009090000000000, -0.0000084400000000 ] - [ 0.0041261700000000, -0.0000119900000000, -0.0107266600000000 ] - [ 0.0001238500000000, 0.0005469100000000, 0.0002044700000000 ] - [ -0.0003856000000000, -0.0006603600000000, -0.0000424500000000 ] - [ -0.0002811600000000, -0.0001549600000000, -0.0000853200000000 ] - [ -0.0000372200000000, -0.0000936600000000, -0.0003493500000000 ] - [ 0.0004317000000000, -0.0001395900000000, 0.0000491800000000 ] - [ -0.0000432300000000, 0.0001275100000000, -0.0003907500000000 ] - [ 0.0044159300000000, 0.0016188400000000, -0.0054052100000000 ] - [ -0.0002757200000000, 0.0002561500000000, 0.0001169300000000 ] - [ 0.0005411900000000, 0.0002700000000000, 0.0002236800000000 ] - [ 0.0000826200000000, -0.0000148100000000, -0.0001749200000000 ] - [ -0.0007050300000000, 0.0020338600000000, 0.0010997000000000 ] - [ 0.0002862100000000, 0.0000029400000000, 0.0000805700000000 ] - [ 0.0000149400000000, 0.0004486700000000, 0.0002217300000000 ] - [ 0.0028809100000000, 0.0010210500000000, 0.0036251200000000 ] - [ 0.0002918100000000, 0.0007307200000000, 0.0016597900000000 ] - [ 0.0037827500000000, 0.0005230500000000, 0.0078152400000000 ] - [ 0.0003960200000000, -0.0002262100000000, -0.0000607400000000 ] - [ 0.0001375200000000, -0.0002365600000000, -0.0000823000000000 ] - [ 0.0001011000000000, 0.0000460600000000, 0.0017084600000000 ] - [ -0.0001242800000000, -0.0001108200000000, 0.0001333900000000 ] - [ -0.0003893800000000, -0.0000212400000000, 0.0022782300000000 ] - [ 0.0000369000000000, 0.0000274800000000, -0.0004325600000000 ] - [ 0.0001376300000000, -0.0005972500000000, 0.0011432400000000 ] - [ 0.0001655200000000, -0.0004244800000000, -0.0001031900000000 ] - [ 0.0001834600000000, -0.0000386900000000, -0.0001334600000000 ] - [ -0.0003570000000000, -0.0002479100000000, -0.0003372200000000 ] - [ 0.0002523700000000, -0.0002011400000000, -0.0000551500000000 ] - [ -0.0044029600000000, -0.0088416900000000, 0.0052177600000000 ] - [ -0.0098623600000000, 0.0066115000000000, 0.0249138900000000 ] - [ 0.0014703600000000, 0.0007079500000000, 0.0017923600000000 ] - [ 0.0004659600000000, -0.0000977800000000, 0.0002079900000000 ] - [ 0.0004161900000000, 0.0002029700000000, -0.0009432200000000 ] - [ -0.0002417800000000, 0.0000549000000000, -0.0000535400000000 ] - [ 0.0066401700000000, 0.0016509900000000, 0.0177746900000000 ] - [ -0.0005535400000000, 0.0010667200000000, 0.0037535300000000 ] - [ -0.0137493800000000, 0.0020587700000000, 0.0170947900000000 ] - [ 0.0001290400000000, -0.0001876000000000, 0.0000150500000000 ] - [ -0.0002378900000000, 0.0003823900000000, -0.0001816800000000 ] - [ 0.0014312000000000, -0.0009278700000000, 0.0031891600000000 ] - [ 0.0001628500000000, -0.0001765300000000, 0.0001320900000000 ] - [ 0.0030593600000000, -0.0079824100000000, 0.0068482000000000 ] - [ 0.0000360600000000, 0.0001932100000000, -0.0003617400000000 ] - [ -0.0000925800000000, 0.0000565500000000, -0.0001411200000000 ] - [ 0.0002571100000000, -0.0000183000000000, 0.0001362100000000 ] - [ 0.0012694900000000, 0.0045658000000000, 0.0010219100000000 ] - [ -0.0001968900000000, 0.0000007600000000, 0.0002500300000000 ] - [ -0.0001010600000000, 0.0002482300000000, 0.0003386800000000 ] - [ -0.0001826400000000, -0.0003969400000000, 0.0001398200000000 ] - [ 0.0003417400000000, -0.0002257300000000, 0.0000140200000000 ] - [ 0.0000306500000000, -0.0003716900000000, -0.0004113300000000 ] - [ 0.0000431500000000, -0.0001135500000000, -0.0001258800000000 ] - [ -0.0001726200000000, -0.0000491000000000, 0.0002112600000000 ] - [ -0.0001499700000000, -0.0000339500000000, -0.0002250100000000 ] - [ 0.0000357900000000, -0.0000238800000000, -0.0000513000000000 ] - [ 0.0000180100000000, -0.0004585100000000, 0.0003355900000000 ] - [ -0.0000283100000000, -0.0003606400000000, -0.0000814300000000 ] - [ 0.0001728100000000, -0.0000418800000000, -0.0001859100000000 ] - [ -0.0004066100000000, -0.0002037000000000, -0.0003069000000000 ] - [ -0.0015087400000000, -0.0000221000000000, 0.0020853800000000 ] - [ 0.0001244800000000, 0.0000781800000000, 0.0000255300000000 ] - [ -0.0002710300000000, 0.0001452300000000, -0.0002366800000000 ] - [ 0.0000928400000000, -0.0002057500000000, 0.0000574100000000 ] - [ -0.0000673300000000, 0.0000286400000000, -0.0002337200000000 ] - [ 0.0002156900000000, 0.0001973100000000, -0.0001496600000000 ] - [ -0.0002017300000000, 0.0000959800000000, -0.0000310500000000 ] - [ 0.0002106100000000, 0.0000112200000000, -0.0000560500000000 ] - [ 0.0003900400000000, 0.0001777100000000, 0.0000027900000000 ] - [ 0.0000910900000000, 0.0001253400000000, -0.0000318400000000 ] - [ 0.0004212100000000, -0.0004657900000000, -0.0001203200000000 ] - [ -0.0001307500000000, 0.0003415500000000, 0.0001397800000000 ] - [ -0.0000111800000000, 0.0003650000000000, -0.0001576000000000 ] - [ -0.0001280200000000, -0.0002308300000000, 0.0003111800000000 ] - [ 0.0002547700000000, 0.0000626700000000, 0.0001467000000000 ]- atom: 18 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0001250900000000, 0.0002490100000000, -0.0003324000000000 ] - [ -0.0000509900000000, 0.0002806900000000, -0.0001496200000000 ] - [ 0.0000404900000000, 0.0007988400000000, -0.0011613600000000 ] - [ -0.0005391100000000, -0.0012938900000000, 0.0003319000000000 ] - [ -0.0001921500000000, 0.0003950800000000, 0.0000984200000000 ] - [ 0.0005201800000000, 0.0012803700000000, -0.0011712600000000 ] - [ 0.0000663900000000, -0.0000605700000000, -0.0003161300000000 ] - [ 0.0002030100000000, -0.0003173800000000, 0.0002535100000000 ] - [ -0.0001161200000000, -0.0002214600000000, 0.0001296200000000 ] - [ -0.0000426300000000, -0.0002152100000000, -0.0000512800000000 ] - [ -0.0000046900000000, -0.0001891700000000, 0.0001517000000000 ] - [ 0.0000316800000000, 0.0001211800000000, -0.0001510500000000 ] - [ 0.0002726500000000, -0.0001071800000000, 0.0003944700000000 ] - [ 0.0000068900000000, 0.0000592200000000, -0.0001796100000000 ] - [ -0.0002278100000000, -0.0009259500000000, 0.0001190100000000 ] - [ -0.0001179600000000, 0.0002294300000000, 0.0000652700000000 ] - [ 0.0000780000000000, -0.0002362500000000, -0.0004010900000000 ] - [ -0.0222832100000000, -0.0007568100000000, 0.0590049700000000 ] - [ 0.0040301200000000, 0.0034541500000000, 0.0102749300000000 ] - [ -0.0000710300000000, -0.0002830700000000, 0.0000096200000000 ] - [ 0.0000050100000000, 0.0001142100000000, -0.0003179100000000 ] - [ 0.0000919800000000, 0.0001277700000000, 0.0001054500000000 ] - [ 0.0000235300000000, -0.0002025100000000, -0.0001683600000000 ] - [ 0.0001135500000000, -0.0006048400000000, -0.0001179400000000 ] - [ 0.0000631300000000, -0.0005386400000000, -0.0006128900000000 ] - [ -0.0003880300000000, -0.0003643000000000, -0.0002652700000000 ] - [ 0.0004570400000000, 0.0003263600000000, -0.0007167800000000 ] - [ 0.0122538500000000, -0.0012982300000000, 0.0122919000000000 ] - [ 0.0051799000000000, 0.0008872600000000, 0.0047261000000000 ] - [ -0.0003625800000000, 0.0004799500000000, -0.0001589000000000 ] - [ -0.0045967500000000, 0.0006268900000000, 0.0104796400000000 ] - [ 0.0006353000000000, -0.0001418900000000, -0.0000532300000000 ] - [ -0.0004482100000000, -0.0007276800000000, -0.0001255800000000 ] - [ -0.0002224900000000, -0.0004576700000000, -0.0001792300000000 ] - [ -0.0001062700000000, -0.0001183900000000, -0.0004530500000000 ] - [ 0.0003281100000000, -0.0002664100000000, 0.0001020800000000 ] - [ -0.0001002600000000, 0.0000846100000000, -0.0004121800000000 ] - [ -0.0052735600000000, -0.0002055200000000, 0.0052528700000000 ] - [ -0.0002299100000000, 0.0003573400000000, -0.0003815100000000 ] - [ 0.0002190000000000, 0.0001345100000000, -0.0000730400000000 ] - [ 0.0000571500000000, -0.0000359800000000, -0.0000976100000000 ] - [ 0.0005126900000000, -0.0019471900000000, -0.0014066800000000 ] - [ 0.0001859900000000, -0.0000729100000000, 0.0002666000000000 ] - [ -0.0000141000000000, 0.0004346500000000, 0.0004238400000000 ] - [ -0.0031986600000000, -0.0009829200000000, -0.0031324300000000 ] - [ -0.0004532500000000, -0.0002715700000000, -0.0009611600000000 ] - [ -0.0040682500000000, -0.0013129500000000, -0.0074531300000000 ] - [ 0.0004595700000000, -0.0000763100000000, 0.0001053200000000 ] - [ 0.0000494200000000, -0.0001522400000000, -0.0000380600000000 ] - [ 0.0000439800000000, 0.0000085100000000, -0.0019837200000000 ] - [ -0.0001902900000000, 0.0000737100000000, 0.0003586000000000 ] - [ -0.0000415500000000, -0.0002435800000000, -0.0022441700000000 ] - [ 0.0000545100000000, 0.0000474400000000, 0.0004318200000000 ] - [ -0.0001364600000000, -0.0002882700000000, -0.0005027900000000 ] - [ -0.0001495100000000, -0.0000995100000000, 0.0001295200000000 ] - [ 0.0001738000000000, 0.0000514800000000, 0.0000422700000000 ] - [ -0.0002420100000000, -0.0000718100000000, -0.0001536100000000 ] - [ 0.0002107100000000, -0.0002304200000000, -0.0001764800000000 ] - [ 0.0047096200000000, 0.0091622800000000, -0.0052131400000000 ] - [ 0.0085415800000000, -0.0059140100000000, -0.0246459300000000 ] - [ -0.0013785000000000, -0.0007818200000000, -0.0017921500000000 ] - [ -0.0006663600000000, 0.0000116500000000, -0.0005218000000000 ] - [ 0.0000473700000000, 0.0002277400000000, 0.0007097200000000 ] - [ -0.0001907800000000, 0.0002122000000000, 0.0000838600000000 ] - [ -0.0064945300000000, -0.0017048100000000, -0.0180096400000000 ] - [ 0.0014038100000000, -0.0007642300000000, -0.0037152400000000 ] - [ 0.0146647300000000, -0.0018320500000000, -0.0178167100000000 ] - [ 0.0001640600000000, -0.0001500800000000, 0.0000408000000000 ] - [ -0.0001159300000000, 0.0004298300000000, 0.0005169200000000 ] - [ -0.0014106000000000, 0.0014467800000000, -0.0031506400000000 ] - [ -0.0003251800000000, -0.0002898200000000, 0.0005690800000000 ] - [ -0.0026037700000000, 0.0081657700000000, -0.0064911300000000 ] - [ 0.0001044200000000, -0.0002442300000000, 0.0000897900000000 ] - [ -0.0001089500000000, 0.0000286400000000, -0.0001745700000000 ] - [ 0.0002151400000000, -0.0000523700000000, 0.0002120400000000 ] - [ -0.0012607000000000, -0.0037260300000000, -0.0003826400000000 ] - [ -0.0001181800000000, 0.0000354900000000, 0.0002422600000000 ] - [ -0.0000619300000000, 0.0002186300000000, 0.0003625700000000 ] - [ -0.0001713500000000, -0.0004156800000000, 0.0001947700000000 ] - [ 0.0005132800000000, -0.0000768800000000, 0.0000301000000000 ] - [ 0.0001562100000000, -0.0000196400000000, 0.0002923300000000 ] - [ 0.0000964600000000, 0.0001642500000000, -0.0001463400000000 ] - [ -0.0001424200000000, 0.0000125600000000, 0.0002809100000000 ] - [ -0.0002823300000000, -0.0002336600000000, 0.0002546800000000 ] - [ 0.0000552600000000, 0.0000977800000000, 0.0000495800000000 ] - [ -0.0000172700000000, -0.0004250300000000, 0.0003111100000000 ] - [ 0.0000448300000000, -0.0001630100000000, 0.0001082700000000 ] - [ 0.0001846500000000, 0.0000537100000000, 0.0000932500000000 ] - [ -0.0001927100000000, -0.0001162700000000, -0.0001844400000000 ] - [ 0.0019781100000000, -0.0004121100000000, -0.0023281000000000 ] - [ 0.0001690000000000, 0.0002590200000000, 0.0000299600000000 ] - [ -0.0003283100000000, 0.0001745800000000, -0.0002548400000000 ] - [ -0.0000019800000000, 0.0001306600000000, -0.0000588300000000 ] - [ -0.0001342100000000, -0.0001142400000000, -0.0000821900000000 ] - [ 0.0002476900000000, 0.0002340100000000, -0.0000810100000000 ] - [ -0.0002315600000000, 0.0001706200000000, 0.0000612900000000 ] - [ 0.0001467900000000, -0.0000236600000000, -0.0000358800000000 ] - [ 0.0004652400000000, 0.0001247800000000, 0.0000418200000000 ] - [ 0.0000959400000000, 0.0002630900000000, -0.0000880800000000 ] - [ -0.0001289600000000, 0.0001280100000000, 0.0001751100000000 ] - [ -0.0002232400000000, 0.0004714400000000, 0.0001960800000000 ] - [ 0.0000276700000000, 0.0001600500000000, 0.0001848400000000 ] - [ -0.0000345600000000, -0.0002357000000000, 0.0003905300000000 ] - [ 0.0002177300000000, 0.0000078200000000, 0.0002016900000000 ]- atom: 25 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ 0.0026758500000000, 0.0013719000000000, -0.0026445800000000 ] - [ -0.0001761100000000, 0.0001218400000000, -0.0004189100000000 ] - [ -0.0005870600000000, -0.0006336400000000, 0.0005978300000000 ] - [ 0.0000121200000000, 0.0001195100000000, -0.0001016400000000 ] - [ -0.0000814500000000, 0.0001151200000000, 0.0001459400000000 ] - [ 0.0010204100000000, -0.0007167900000000, 0.0018603100000000 ] - [ -0.0000278400000000, -0.0001560000000000, -0.0001702700000000 ] - [ -0.0000716000000000, 0.0000802500000000, 0.0001091900000000 ] - [ -0.0001979700000000, -0.0002552400000000, 0.0001075500000000 ] - [ -0.0003479000000000, 0.0000013700000000, -0.0000047300000000 ] - [ 0.0000656000000000, -0.0003002800000000, 0.0001597600000000 ] - [ 0.0000096800000000, 0.0001862700000000, -0.0001442000000000 ] - [ -0.0008117800000000, -0.0000944200000000, 0.0022090900000000 ] - [ 0.0000741500000000, 0.0000141200000000, -0.0002510800000000 ] - [ 0.0010228600000000, 0.0000693400000000, -0.0001698500000000 ] - [ 0.0001594500000000, 0.0002063700000000, -0.0000543700000000 ] - [ 0.0000545700000000, 0.0000415000000000, -0.0001442100000000 ] - [ 0.0008376000000000, -0.0005044000000000, -0.0001004300000000 ] - [ -0.0012333800000000, -0.0008181000000000, 0.0000220100000000 ] - [ 0.0001378100000000, -0.0003605100000000, 0.0001043500000000 ] - [ 0.0015885400000000, -0.0118816300000000, -0.0057053300000000 ] - [ 0.0000686900000000, 0.0000917700000000, 0.0001703200000000 ] - [ 0.0000488000000000, -0.0001619200000000, -0.0002071100000000 ] - [ -0.0020522600000000, 0.0150048300000000, 0.0044851100000000 ] - [ -0.1692159700000000, -0.0012517800000000, -0.0030731900000000 ] - [ -0.0002899500000000, -0.0005095500000000, -0.0004064700000000 ] - [ -0.0004289200000000, -0.0003297700000000, -0.0003389000000000 ] - [ 0.0001054900000000, -0.0001789700000000, 0.0002968000000000 ] - [ -0.0002559500000000, -0.0000956600000000, -0.0002783300000000 ] - [ -0.0004194400000000, 0.0006275500000000, -0.0001001800000000 ] - [ 0.0007054800000000, -0.0001128900000000, 0.0000092600000000 ] - [ -0.0004197900000000, 0.0001257300000000, 0.0003345300000000 ] - [ -0.0003791200000000, -0.0007455100000000, -0.0000861100000000 ] - [ 0.0030267900000000, -0.0010208300000000, -0.0004954500000000 ] - [ -0.0005343300000000, -0.0000080200000000, -0.0014903100000000 ] - [ 0.0004858400000000, -0.0000767600000000, -0.0002199100000000 ] - [ -0.0000128100000000, 0.0000379600000000, -0.0003798000000000 ] - [ 0.0002794600000000, 0.0026644500000000, 0.0010668300000000 ] - [ -0.0004023500000000, 0.0002535000000000, 0.0000694200000000 ] - [ 0.0040703000000000, 0.0003397100000000, -0.0001010300000000 ] - [ 0.0000670800000000, 0.0000340600000000, -0.0001518100000000 ] - [ -0.0000755600000000, 0.0000652000000000, -0.0001332100000000 ] - [ 0.0002747000000000, 0.0001486700000000, 0.0001572600000000 ] - [ -0.0000051200000000, 0.0004277800000000, 0.0003322800000000 ] - [ -0.0001862200000000, 0.0000537700000000, -0.0000761800000000 ] - [ 0.0001664700000000, 0.0004491600000000, 0.0003053800000000 ] - [ -0.0001585600000000, -0.0004065300000000, 0.0004944500000000 ] - [ 0.0004793100000000, -0.0000744200000000, 0.0000762600000000 ] - [ 0.0000789300000000, -0.0001775400000000, -0.0000681900000000 ] - [ 0.0014685000000000, 0.0004319000000000, 0.0017301800000000 ] - [ -0.0001229900000000, 0.0000345800000000, 0.0003027800000000 ] - [ -0.0005738600000000, -0.0000191800000000, -0.0003413200000000 ] - [ -0.0000922900000000, 0.0002558100000000, -0.0000139400000000 ] - [ 0.0114196200000000, -0.0012300500000000, -0.0057464100000000 ] - [ 0.0000785300000000, 0.0000700200000000, -0.0001868000000000 ] - [ 0.0001242500000000, 0.0000269500000000, -0.0000178600000000 ] - [ -0.0003183900000000, -0.0001621800000000, -0.0003275400000000 ] - [ 0.0002233400000000, -0.0001725500000000, -0.0001243800000000 ] - [ -0.0027070800000000, 0.0000425300000000, 0.0005194300000000 ] - [ -0.0003426400000000, 0.0002143100000000, -0.0005290300000000 ] - [ 0.0001002200000000, 0.0000612800000000, -0.0000940600000000 ] - [ -0.0000207500000000, -0.0000525700000000, -0.0001740200000000 ] - [ 0.0163367600000000, 0.0078399700000000, -0.0006384000000000 ] - [ -0.0002167000000000, 0.0001092500000000, 0.0000787200000000 ] - [ -0.0001135000000000, 0.0000296000000000, -0.0001833700000000 ] - [ 0.0005571400000000, 0.0003990800000000, -0.0002596800000000 ] - [ 0.0003209200000000, -0.0000177500000000, 0.0007493700000000 ] - [ 0.0001555100000000, -0.0001234600000000, 0.0000312000000000 ] - [ -0.0001875000000000, 0.0004234400000000, 0.0001602500000000 ] - [ 0.0000481400000000, 0.0002144300000000, -0.0000222900000000 ] - [ 0.0000015700000000, -0.0002237800000000, 0.0003241900000000 ] - [ 0.0001904100000000, 0.0003044400000000, 0.0001833000000000 ] - [ 0.0627537000000000, -0.0190609600000000, 0.0330188100000000 ] - [ -0.0001880000000000, 0.0000897600000000, -0.0000824300000000 ] - [ 0.0004691500000000, 0.0001905200000000, 0.0002873200000000 ] - [ -0.0009586800000000, -0.0006748500000000, -0.0065999000000000 ] - [ -0.0001865400000000, 0.0000334400000000, 0.0002836800000000 ] - [ -0.0001124000000000, 0.0002605300000000, 0.0003304400000000 ] - [ -0.0001459300000000, -0.0003832700000000, 0.0001240400000000 ] - [ -0.0024335100000000, 0.0007902700000000, 0.0015459700000000 ] - [ 0.0031438000000000, -0.0001186800000000, 0.0006385800000000 ] - [ 0.0000925600000000, 0.0000583500000000, -0.0001334400000000 ] - [ -0.0030409100000000, 0.0008811000000000, 0.0004749300000000 ] - [ -0.0001854200000000, -0.0001135800000000, -0.0000501300000000 ] - [ -0.0000203400000000, 0.0004969000000000, 0.0006164300000000 ] - [ 0.0000164100000000, -0.0004295800000000, 0.0003187200000000 ] - [ -0.0005754200000000, -0.0003016400000000, 0.0000353000000000 ] - [ -0.0027324100000000, -0.0011870000000000, -0.0015642100000000 ] - [ -0.0032277100000000, -0.0023222500000000, -0.0000229800000000 ] - [ 0.0003852500000000, -0.0006261500000000, 0.0000579600000000 ] - [ 0.0001310500000000, 0.0002202100000000, 0.0000140800000000 ] - [ -0.0002667000000000, 0.0001409600000000, -0.0002062600000000 ] - [ -0.0000335600000000, 0.0000935600000000, -0.0002303500000000 ] - [ 0.0030448900000000, 0.0015960100000000, -0.0000440600000000 ] - [ 0.0002098700000000, 0.0002875100000000, -0.0000992500000000 ] - [ 0.0013458000000000, 0.0004646000000000, 0.0005762900000000 ] - [ 0.0002459500000000, 0.0000508300000000, -0.0001338000000000 ] - [ 0.0004219400000000, 0.0001566300000000, 0.0000131500000000 ] - [ 0.0000738900000000, 0.0002171300000000, -0.0000716200000000 ] - [ 0.0776702300000000, 0.0112547400000000, -0.0219819400000000 ] - [ -0.0013876400000000, -0.0020777200000000, 0.0008917200000000 ] - [ -0.0000843400000000, 0.0000659600000000, 0.0001378700000000 ] - [ -0.0001252100000000, -0.0003588400000000, 0.0006535200000000 ] - [ 0.0002264800000000, 0.0000688400000000, 0.0001830900000000 ]- atom: 25 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0028530500000000, -0.0017005600000000, 0.0028970200000000 ] - [ 0.0001004500000000, -0.0004437900000000, 0.0002925100000000 ] - [ 0.0005590600000000, 0.0003648400000000, -0.0003462500000000 ] - [ -0.0000780500000000, 0.0002013300000000, -0.0000198800000000 ] - [ -0.0001290100000000, 0.0002305300000000, 0.0001400900000000 ] - [ -0.0010398900000000, 0.0009196200000000, -0.0022846900000000 ] - [ 0.0000180000000000, -0.0000368000000000, -0.0002290100000000 ] - [ 0.0000350800000000, 0.0001941100000000, 0.0001427400000000 ] - [ -0.0000132900000000, -0.0000927600000000, 0.0001790700000000 ] - [ 0.0002793800000000, -0.0003242200000000, -0.0001186900000000 ] - [ -0.0000990000000000, 0.0000257300000000, 0.0000916900000000 ] - [ -0.0000762400000000, 0.0001332500000000, 0.0000209100000000 ] - [ 0.0006088600000000, 0.0004390800000000, -0.0019115100000000 ] - [ -0.0000833300000000, 0.0001756200000000, -0.0001469600000000 ] - [ -0.0010364600000000, -0.0002596400000000, -0.0002311600000000 ] - [ -0.0001960200000000, 0.0000686300000000, 0.0003079600000000 ] - [ 0.0001200300000000, 0.0002031100000000, -0.0002059600000000 ] - [ -0.0007704600000000, 0.0008489800000000, 0.0003541700000000 ] - [ 0.0014049700000000, 0.0005809100000000, -0.0003694700000000 ] - [ -0.0000709000000000, 0.0000122300000000, 0.0001462700000000 ] - [ -0.0013874100000000, 0.0120747600000000, 0.0053278500000000 ] - [ 0.0000014400000000, 0.0002510300000000, 0.0000795300000000 ] - [ 0.0001221700000000, -0.0000845100000000, -0.0001442400000000 ] - [ 0.0021165600000000, -0.0154830400000000, -0.0042885700000000 ] - [ 0.1698846200000000, 0.0028496100000000, -0.0000367100000000 ] - [ -0.0002158100000000, -0.0001004000000000, 0.0001460200000000 ] - [ 0.0002860000000000, 0.0001230100000000, -0.0004650700000000 ] - [ 0.0006572500000000, -0.0002220800000000, -0.0001447200000000 ] - [ 0.0001146300000000, 0.0003103400000000, -0.0005224300000000 ] - [ -0.0004150200000000, 0.0007539400000000, -0.0000669500000000 ] - [ -0.0012079800000000, 0.0007230000000000, -0.0002739400000000 ] - [ 0.0011781000000000, 0.0002778300000000, -0.0001901600000000 ] - [ -0.0004549400000000, -0.0006378900000000, -0.0000799500000000 ] - [ -0.0035485100000000, 0.0004274600000000, 0.0002524800000000 ] - [ 0.0003898600000000, -0.0001991900000000, 0.0006728400000000 ] - [ 0.0002746900000000, -0.0003284900000000, 0.0003736000000000 ] - [ -0.0001290800000000, 0.0001780200000000, -0.0004226100000000 ] - [ -0.0011278200000000, -0.0012938600000000, -0.0012028700000000 ] - [ -0.0001043000000000, 0.0003567400000000, -0.0003335500000000 ] - [ -0.0033261400000000, 0.0000477100000000, 0.0002704200000000 ] - [ 0.0000741500000000, -0.0000828100000000, -0.0001188500000000 ] - [ -0.0001263900000000, 0.0000208100000000, -0.0001812900000000 ] - [ 0.0001968600000000, -0.0002222000000000, 0.0001910400000000 ] - [ 0.0000052900000000, 0.0004527800000000, 0.0003139900000000 ] - [ -0.0001294000000000, -0.0000195000000000, 0.0005716600000000 ] - [ -0.0003293800000000, 0.0000192800000000, 0.0003964100000000 ] - [ -0.0001952200000000, -0.0004102300000000, -0.0001590000000000 ] - [ 0.0003745900000000, -0.0002261800000000, -0.0000330200000000 ] - [ 0.0001068600000000, -0.0002145700000000, -0.0000522500000000 ] - [ -0.0013266100000000, -0.0003860000000000, -0.0020051700000000 ] - [ -0.0001944900000000, -0.0000685000000000, 0.0001933600000000 ] - [ 0.0001424400000000, -0.0002526700000000, 0.0003745700000000 ] - [ 0.0001845800000000, -0.0001877700000000, 0.0000133200000000 ] - [ -0.0114543900000000, 0.0003501500000000, 0.0066725900000000 ] - [ -0.0000618800000000, -0.0006220500000000, 0.0002175900000000 ] - [ 0.0002338300000000, -0.0000123800000000, -0.0000765400000000 ] - [ -0.0002804400000000, -0.0001557300000000, -0.0001614000000000 ] - [ 0.0002392600000000, -0.0002567800000000, -0.0001069500000000 ] - [ 0.0030059200000000, 0.0002937500000000, -0.0004907000000000 ] - [ -0.0002590800000000, 0.0001032700000000, 0.0000419100000000 ] - [ -0.0000102800000000, -0.0001360900000000, 0.0000936200000000 ] - [ -0.0001808200000000, -0.0000340900000000, -0.0001394200000000 ] - [ -0.0159333300000000, -0.0077133700000000, 0.0004249400000000 ] - [ -0.0002158100000000, 0.0001707800000000, -0.0000477600000000 ] - [ 0.0004686700000000, -0.0000435500000000, 0.0000904600000000 ] - [ 0.0002945200000000, -0.0001028900000000, 0.0002925200000000 ] - [ -0.0001354000000000, 0.0004086200000000, -0.0008798200000000 ] - [ 0.0001348000000000, -0.0002107500000000, 0.0000242000000000 ] - [ -0.0001661900000000, 0.0003911300000000, 0.0001757000000000 ] - [ -0.0000340500000000, 0.0003111200000000, 0.0000495700000000 ] - [ -0.0001632500000000, -0.0002464700000000, 0.0003780500000000 ] - [ 0.0002805600000000, -0.0002342700000000, 0.0001642400000000 ] - [ -0.0604538100000000, 0.0176322500000000, -0.0317599100000000 ] - [ -0.0000144800000000, -0.0000021700000000, -0.0002330800000000 ] - [ -0.0000039800000000, -0.0002666800000000, 0.0000699300000000 ] - [ 0.0009535800000000, 0.0015663300000000, 0.0072077500000000 ] - [ -0.0001285400000000, 0.0000034100000000, 0.0002113400000000 ] - [ -0.0000497500000000, 0.0002085400000000, 0.0003715300000000 ] - [ -0.0002077200000000, -0.0004322300000000, 0.0002129100000000 ] - [ 0.0032905200000000, -0.0010876200000000, -0.0015092200000000 ] - [ -0.0029614100000000, -0.0002263400000000, -0.0007409400000000 ] - [ 0.0000493900000000, -0.0000078100000000, -0.0001368800000000 ] - [ 0.0027460900000000, -0.0009217000000000, 0.0000100000000000 ] - [ -0.0002477200000000, -0.0001545400000000, 0.0000801700000000 ] - [ 0.0001097800000000, -0.0004239300000000, -0.0006091300000000 ] - [ -0.0000160100000000, -0.0004510800000000, 0.0003282300000000 ] - [ 0.0005936300000000, -0.0002249100000000, -0.0000159800000000 ] - [ 0.0030988900000000, 0.0012155700000000, 0.0014745300000000 ] - [ 0.0026260100000000, 0.0020134800000000, -0.0004692300000000 ] - [ 0.0000787800000000, 0.0001963100000000, -0.0002905800000000 ] - [ 0.0001593000000000, 0.0001155900000000, 0.0000409200000000 ] - [ -0.0003338300000000, 0.0001798700000000, -0.0002834600000000 ] - [ 0.0001227400000000, -0.0001672700000000, 0.0002312300000000 ] - [ -0.0032350900000000, -0.0017061400000000, -0.0002635100000000 ] - [ 0.0002531400000000, 0.0001431400000000, -0.0001315000000000 ] - [ -0.0018231500000000, -0.0001978100000000, -0.0005732000000000 ] - [ 0.0001109100000000, -0.0000635900000000, 0.0000403200000000 ] - [ 0.0004334300000000, 0.0001451500000000, 0.0000308200000000 ] - [ 0.0001121300000000, 0.0001749600000000, -0.0000487700000000 ] - [ -0.0809253800000000, -0.0128314900000000, 0.0233117100000000 ] - [ 0.0010198800000000, 0.0029662400000000, -0.0005539500000000 ] - [ 0.0000992500000000, 0.0004623300000000, -0.0001106400000000 ] - [ -0.0000341000000000, -0.0001082300000000, 0.0000559700000000 ] - [ 0.0002431200000000, 0.0000033400000000, 0.0001652200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016186100000000, -0.0030863200000000, -0.0002090600000000 ] - [ 0.0017416600000000, 0.0014042300000000, 0.0013767000000000 ] - [ -0.0019732400000000, 0.0013366900000000, 0.0014352500000000 ] - [ -0.0000620800000000, 0.0002910000000000, -0.0002224900000000 ] - [ -0.0001396300000000, 0.0003282500000000, 0.0002414000000000 ] - [ -0.0007358600000000, -0.0015253300000000, -0.0002104400000000 ] - [ 0.0000036900000000, 0.0001260500000000, -0.0000560300000000 ] - [ 0.0000276300000000, 0.0001841200000000, 0.0000306000000000 ] - [ 0.0000008600000000, 0.0000619000000000, 0.0001259300000000 ] - [ 0.0001508600000000, 0.0000023700000000, -0.0000813200000000 ] - [ -0.0001850400000000, 0.0000691900000000, 0.0000782400000000 ] - [ -0.0000551700000000, 0.0004174700000000, 0.0000611100000000 ] - [ -0.0001275300000000, 0.0004093700000000, -0.0010276400000000 ] - [ -0.0000922300000000, 0.0003315900000000, -0.0002269900000000 ] - [ -0.0000333200000000, 0.0001135400000000, -0.0004787200000000 ] - [ -0.0000177700000000, 0.0001800100000000, -0.0000281300000000 ] - [ -0.0000693500000000, 0.0007891400000000, -0.0003095900000000 ] - [ -0.0001562200000000, -0.0016074600000000, -0.0001031100000000 ] - [ 0.0004813500000000, -0.0014277200000000, -0.0004722500000000 ] - [ 0.0001947600000000, 0.0005059600000000, -0.0000461000000000 ] - [ -0.0018193100000000, 0.0057352200000000, 0.0007108200000000 ] - [ -0.0000082400000000, 0.0006055600000000, 0.0001469400000000 ] - [ 0.0001411500000000, 0.0002414000000000, -0.0001006900000000 ] - [ 0.0029642800000000, 0.0029952700000000, 0.0001834700000000 ] - [ -0.0029602200000000, -0.1862802500000000, 0.0135323900000000 ] - [ -0.0002345600000000, 0.0000907500000000, 0.0002145200000000 ] - [ -0.0001172900000000, -0.0003099700000000, -0.0002916400000000 ] - [ -0.0002932600000000, -0.0003796300000000, 0.0001637900000000 ] - [ -0.0004472500000000, 0.0004738200000000, -0.0004903100000000 ] - [ -0.0003552300000000, 0.0008999200000000, -0.0000003100000000 ] - [ 0.0003876100000000, -0.0001515500000000, -0.0002862800000000 ] - [ 0.0001268200000000, 0.0010850900000000, -0.0005500500000000 ] - [ -0.0004728500000000, -0.0004644100000000, -0.0001336300000000 ] - [ -0.0009763300000000, 0.0016815000000000, 0.0006681300000000 ] - [ 0.0000834900000000, -0.0002832300000000, 0.0003670600000000 ] - [ 0.0003097500000000, 0.0000465000000000, -0.0000651300000000 ] - [ -0.0001797400000000, 0.0004225600000000, -0.0002792100000000 ] - [ -0.0023944900000000, 0.0016843000000000, -0.0003277200000000 ] - [ -0.0001402400000000, 0.0005125400000000, -0.0002500200000000 ] - [ 0.0000863300000000, 0.0008403700000000, -0.0004060800000000 ] - [ 0.0001741800000000, -0.0003042600000000, -0.0001020700000000 ] - [ -0.0000141800000000, 0.0005563400000000, -0.0003276500000000 ] - [ 0.0002154100000000, -0.0001950500000000, 0.0001946700000000 ] - [ 0.0000106900000000, 0.0004383700000000, 0.0003749100000000 ] - [ -0.0000920300000000, 0.0003232400000000, 0.0003758300000000 ] - [ 0.0000632900000000, 0.0002190300000000, 0.0002977400000000 ] - [ -0.0004485600000000, -0.0006236400000000, 0.0008311400000000 ] - [ 0.0004688400000000, -0.0003889300000000, 0.0000679900000000 ] - [ 0.0001351700000000, -0.0002701100000000, -0.0000538600000000 ] - [ 0.0007351800000000, 0.0007038600000000, 0.0004995000000000 ] - [ 0.0001140400000000, -0.0006504900000000, 0.0000311000000000 ] - [ -0.0005587600000000, 0.0007220700000000, -0.0004096800000000 ] - [ -0.0000638200000000, -0.0002351500000000, 0.0000809200000000 ] - [ -0.0009237800000000, 0.0004259000000000, 0.0048541400000000 ] - [ -0.0001255300000000, 0.0047140500000000, 0.0008532200000000 ] - [ 0.0001380700000000, -0.0002512300000000, 0.0000388200000000 ] - [ -0.0004878500000000, -0.0007931500000000, -0.0004447300000000 ] - [ 0.0002247800000000, -0.0004121200000000, -0.0001020000000000 ] - [ 0.0009317800000000, 0.0002975700000000, -0.0022428600000000 ] - [ -0.0001870700000000, 0.0006162300000000, -0.0004230500000000 ] - [ 0.0000794300000000, 0.0000295500000000, -0.0000431800000000 ] - [ -0.0001493600000000, -0.0001915700000000, -0.0001294600000000 ] - [ 0.0078413800000000, 0.1158224900000000, -0.0009535300000000 ] - [ -0.0002204600000000, -0.0004017900000000, -0.0001565200000000 ] - [ 0.0000027300000000, 0.0003490600000000, -0.0000132500000000 ] - [ 0.0000354300000000, 0.0000940700000000, 0.0007038200000000 ] - [ 0.0004647300000000, 0.0000965300000000, -0.0000933500000000 ] - [ 0.0001040700000000, -0.0004339200000000, -0.0000061600000000 ] - [ -0.0001672700000000, 0.0004727300000000, 0.0002111200000000 ] - [ 0.0001296800000000, 0.0004346600000000, 0.0000474000000000 ] - [ -0.0001554700000000, -0.0003387100000000, 0.0003643900000000 ] - [ 0.0002768500000000, 0.0001192100000000, 0.0002436700000000 ] - [ -0.0238505400000000, 0.0228296000000000, -0.0136792500000000 ] - [ -0.0000395700000000, 0.0000917700000000, -0.0001621000000000 ] - [ 0.0004658500000000, 0.0002000700000000, -0.0002313600000000 ] - [ 0.0005802400000000, 0.0000456300000000, -0.0021024600000000 ] - [ -0.0002005000000000, -0.0001157500000000, 0.0002474200000000 ] - [ -0.0000009400000000, 0.0001025500000000, 0.0003239900000000 ] - [ -0.0002216900000000, -0.0004667200000000, 0.0001178700000000 ] - [ 0.0008530100000000, -0.0009610200000000, -0.0007812200000000 ] - [ -0.0001121300000000, 0.0111650000000000, 0.0047779100000000 ] - [ 0.0000263200000000, -0.0002031300000000, -0.0001898800000000 ] - [ -0.0005564800000000, 0.0002708000000000, 0.0005008100000000 ] - [ -0.0002174300000000, -0.0004119100000000, 0.0001068300000000 ] - [ 0.0000392000000000, -0.0002421800000000, -0.0003978800000000 ] - [ 0.0000061000000000, -0.0005078700000000, 0.0003445800000000 ] - [ 0.0001381600000000, -0.0006910700000000, 0.0000250800000000 ] - [ 0.0006949200000000, -0.0005036100000000, -0.0001189300000000 ] - [ 0.0005402100000000, 0.0003668000000000, -0.0001235700000000 ] - [ 0.0003146700000000, -0.0000876900000000, -0.0000990600000000 ] - [ 0.0001402500000000, -0.0000054700000000, 0.0000408100000000 ] - [ -0.0002806800000000, 0.0000357600000000, -0.0002490300000000 ] - [ 0.0001001300000000, -0.0004570800000000, 0.0000395600000000 ] - [ -0.0005536900000000, -0.0004006100000000, -0.0002049000000000 ] - [ 0.0001953100000000, 0.0000594800000000, -0.0001950800000000 ] - [ -0.0003541100000000, -0.0015175300000000, -0.0008883700000000 ] - [ 0.0001322300000000, -0.0001411900000000, -0.0000228700000000 ] - [ 0.0004166300000000, 0.0000374300000000, 0.0000263900000000 ] - [ 0.0000831300000000, 0.0001324700000000, -0.0000971100000000 ] - [ 0.0181087700000000, 0.0206397800000000, -0.0043817400000000 ] - [ 0.0006995100000000, 0.0017032600000000, -0.0001705800000000 ] - [ 0.0000332100000000, 0.0000013800000000, 0.0001077900000000 ] - [ -0.0002513200000000, -0.0001303000000000, 0.0000864700000000 ] - [ 0.0002472900000000, -0.0001333300000000, 0.0000974200000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018251000000000, 0.0027034100000000, 0.0004862000000000 ] - [ -0.0017839700000000, -0.0016961000000000, -0.0014835300000000 ] - [ 0.0019100900000000, -0.0015832200000000, -0.0011666400000000 ] - [ -0.0000050500000000, 0.0000334400000000, 0.0000968300000000 ] - [ -0.0000718900000000, 0.0000214700000000, 0.0000463800000000 ] - [ 0.0007241000000000, 0.0016941100000000, -0.0001919100000000 ] - [ -0.0000127900000000, -0.0003139500000000, -0.0003405300000000 ] - [ -0.0000627200000000, 0.0000923500000000, 0.0002198800000000 ] - [ -0.0002099300000000, -0.0004037200000000, 0.0001607400000000 ] - [ -0.0002150200000000, -0.0003188400000000, -0.0000435700000000 ] - [ 0.0001471800000000, -0.0003382800000000, 0.0001712600000000 ] - [ -0.0000099700000000, -0.0000949000000000, -0.0001808700000000 ] - [ -0.0000803500000000, -0.0000674600000000, 0.0013043000000000 ] - [ 0.0000813600000000, -0.0001353900000000, -0.0001712200000000 ] - [ 0.0000216600000000, -0.0003105800000000, 0.0000725200000000 ] - [ -0.0000191000000000, 0.0000951900000000, 0.0002846200000000 ] - [ 0.0002393700000000, -0.0005323000000000, -0.0000429500000000 ] - [ 0.0002225900000000, 0.0019444900000000, 0.0003529000000000 ] - [ -0.0003107000000000, 0.0011726700000000, 0.0001238800000000 ] - [ -0.0001230500000000, -0.0008408100000000, 0.0002941100000000 ] - [ 0.0020109100000000, -0.0054991000000000, -0.0010550200000000 ] - [ 0.0000782600000000, -0.0002532700000000, 0.0001038900000000 ] - [ 0.0000306800000000, -0.0004783000000000, -0.0002489400000000 ] - [ -0.0029196400000000, -0.0033572100000000, 0.0000676900000000 ] - [ 0.0012379100000000, 0.1788806400000000, -0.0139179000000000 ] - [ -0.0002716900000000, -0.0006917800000000, -0.0004700600000000 ] - [ -0.0000270700000000, 0.0001033300000000, -0.0005086500000000 ] - [ 0.0010431200000000, -0.0000237000000000, -0.0000170200000000 ] - [ 0.0002986900000000, -0.0002579800000000, -0.0003100200000000 ] - [ -0.0004787000000000, 0.0004937000000000, -0.0001658200000000 ] - [ -0.0008754400000000, 0.0007554500000000, 0.0000317000000000 ] - [ 0.0006276600000000, -0.0006439500000000, 0.0007052500000000 ] - [ -0.0003631800000000, -0.0009190000000000, -0.0000352900000000 ] - [ 0.0004728000000000, -0.0023145800000000, -0.0009537100000000 ] - [ -0.0002296900000000, 0.0000837100000000, -0.0011705500000000 ] - [ 0.0004487200000000, -0.0004489200000000, 0.0002177100000000 ] - [ 0.0000362100000000, -0.0002107600000000, -0.0005207600000000 ] - [ 0.0015647800000000, -0.0002967900000000, 0.0001604800000000 ] - [ -0.0003644100000000, 0.0001060100000000, -0.0000173200000000 ] - [ 0.0006699700000000, -0.0004348500000000, 0.0005854400000000 ] - [ -0.0000339700000000, 0.0002469800000000, -0.0001693900000000 ] - [ -0.0001869400000000, -0.0004667700000000, 0.0000100600000000 ] - [ 0.0002570100000000, 0.0001209800000000, 0.0001550800000000 ] - [ -0.0000102700000000, 0.0004462100000000, 0.0002731700000000 ] - [ -0.0002236300000000, -0.0002852000000000, 0.0001151900000000 ] - [ -0.0002233100000000, 0.0002445300000000, 0.0004021500000000 ] - [ 0.0000896900000000, -0.0001919300000000, -0.0004847700000000 ] - [ 0.0003856800000000, 0.0000818400000000, -0.0000220200000000 ] - [ 0.0000519200000000, -0.0001193100000000, -0.0000642900000000 ] - [ -0.0005909700000000, -0.0006411800000000, -0.0007655500000000 ] - [ -0.0004268900000000, 0.0006057800000000, 0.0004592300000000 ] - [ 0.0001226900000000, -0.0009762800000000, 0.0004332100000000 ] - [ 0.0001532600000000, 0.0003027700000000, -0.0000809900000000 ] - [ 0.0009209800000000, -0.0011239300000000, -0.0041170200000000 ] - [ 0.0001421100000000, -0.0052469000000000, -0.0008216200000000 ] - [ 0.0002197300000000, 0.0002582800000000, -0.0001288800000000 ] - [ -0.0001131100000000, 0.0004650500000000, -0.0000485600000000 ] - [ 0.0002384200000000, -0.0000224900000000, -0.0001279400000000 ] - [ -0.0006426500000000, 0.0000515700000000, 0.0023211100000000 ] - [ -0.0004060200000000, -0.0002946200000000, -0.0000639100000000 ] - [ 0.0000117700000000, -0.0001051300000000, 0.0000417100000000 ] - [ -0.0000536800000000, 0.0001068100000000, -0.0001855400000000 ] - [ -0.0069013700000000, -0.1094988800000000, 0.0004122300000000 ] - [ -0.0002121900000000, 0.0006662800000000, 0.0001846800000000 ] - [ 0.0003552000000000, -0.0003580600000000, -0.0000768800000000 ] - [ 0.0008088300000000, 0.0002027300000000, -0.0006783300000000 ] - [ -0.0002714000000000, 0.0002933000000000, -0.0000345100000000 ] - [ 0.0001892800000000, 0.0000900700000000, 0.0000620800000000 ] - [ -0.0001865700000000, 0.0003388100000000, 0.0001242500000000 ] - [ -0.0001133800000000, 0.0000882000000000, -0.0000198700000000 ] - [ -0.0000089200000000, -0.0001301800000000, 0.0003382500000000 ] - [ 0.0001954300000000, -0.0000505800000000, 0.0001056400000000 ] - [ 0.0245598600000000, -0.0229540600000000, 0.0137874100000000 ] - [ -0.0001613400000000, -0.0000067500000000, -0.0001529200000000 ] - [ 0.0000059700000000, -0.0002805500000000, 0.0005820500000000 ] - [ -0.0005852800000000, 0.0008287500000000, 0.0027213400000000 ] - [ -0.0001152700000000, 0.0001497800000000, 0.0002435800000000 ] - [ -0.0001625000000000, 0.0003612000000000, 0.0003778200000000 ] - [ -0.0001340200000000, -0.0003446300000000, 0.0002153700000000 ] - [ 0.0000113500000000, 0.0006638100000000, 0.0008245500000000 ] - [ 0.0003028700000000, -0.0116598500000000, -0.0049227700000000 ] - [ 0.0001113000000000, 0.0002508300000000, -0.0000831200000000 ] - [ 0.0002592900000000, -0.0003165000000000, -0.0000139500000000 ] - [ -0.0002152100000000, 0.0001420800000000, -0.0000745600000000 ] - [ 0.0000519900000000, 0.0003065700000000, 0.0003933300000000 ] - [ -0.0000053800000000, -0.0003771800000000, 0.0003040500000000 ] - [ -0.0001210000000000, 0.0001655300000000, -0.0000061200000000 ] - [ -0.0003471200000000, 0.0005185900000000, 0.0000215600000000 ] - [ -0.0011496000000000, -0.0006942900000000, -0.0003650200000000 ] - [ 0.0001469900000000, -0.0003374400000000, -0.0001328800000000 ] - [ 0.0001538900000000, 0.0003410900000000, 0.0000157400000000 ] - [ -0.0003180900000000, 0.0002819300000000, -0.0002433600000000 ] - [ -0.0000097300000000, 0.0003778600000000, -0.0000394100000000 ] - [ 0.0003515700000000, 0.0003045000000000, -0.0001080100000000 ] - [ 0.0002674700000000, 0.0003683400000000, -0.0000361100000000 ] - [ -0.0000708600000000, 0.0017985500000000, 0.0009257300000000 ] - [ 0.0002247100000000, 0.0001269900000000, -0.0000670600000000 ] - [ 0.0004382400000000, 0.0002634700000000, 0.0000202700000000 ] - [ 0.0001034900000000, 0.0002537200000000, -0.0000217600000000 ] - [ -0.0179895500000000, -0.0208416100000000, 0.0045157300000000 ] - [ -0.0010461100000000, -0.0008781300000000, 0.0005111300000000 ] - [ -0.0000166900000000, 0.0005178900000000, -0.0000803000000000 ] - [ 0.0000907100000000, -0.0003449400000000, 0.0006160900000000 ] - [ 0.0002247400000000, 0.0002015100000000, 0.0002501200000000 ]- atom: 25 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0034940500000000, -0.0008238200000000, 0.0000987600000000 ] - [ -0.0007892200000000, -0.0004040200000000, -0.0000989900000000 ] - [ 0.0009411800000000, -0.0000689600000000, -0.0001436800000000 ] - [ -0.0000249800000000, 0.0001174400000000, -0.0000218700000000 ] - [ -0.0000928200000000, 0.0001414000000000, 0.0001416100000000 ] - [ 0.0015943700000000, 0.0003637800000000, -0.0014135300000000 ] - [ -0.0000105800000000, -0.0001376700000000, -0.0002091300000000 ] - [ -0.0000242900000000, 0.0001055000000000, 0.0001109400000000 ] - [ -0.0000899200000000, -0.0001374300000000, 0.0001671800000000 ] - [ 0.0001094500000000, -0.0003607800000000, -0.0002058500000000 ] - [ -0.0001159400000000, -0.0003054100000000, -0.0000096900000000 ] - [ -0.0001668500000000, 0.0000358800000000, -0.0001312800000000 ] - [ 0.0003348400000000, 0.0001740100000000, 0.0001153300000000 ] - [ -0.0000101700000000, 0.0001054500000000, -0.0001685400000000 ] - [ -0.0002697400000000, -0.0000433900000000, 0.0000347500000000 ] - [ 0.0000105500000000, 0.0004247700000000, 0.0007370500000000 ] - [ 0.0001186000000000, 0.0000328500000000, -0.0001494100000000 ] - [ -0.0003088400000000, 0.0006197000000000, 0.0007038200000000 ] - [ 0.0004075000000000, 0.0002516600000000, 0.0000612900000000 ] - [ -0.0000425700000000, -0.0002220500000000, 0.0001920500000000 ] - [ -0.0035500500000000, -0.0029344300000000, -0.0050370300000000 ] - [ 0.0000150300000000, 0.0000710800000000, 0.0001483000000000 ] - [ 0.0001346500000000, -0.0002936100000000, -0.0001231500000000 ] - [ 0.0040152700000000, -0.0090160200000000, -0.0054784000000000 ] - [ 0.0548480600000000, 0.0137031400000000, -0.1405656800000000 ] - [ -0.0002268700000000, -0.0002900600000000, -0.0004545900000000 ] - [ 0.0000882700000000, 0.0000655400000000, -0.0003457200000000 ] - [ 0.0007799600000000, 0.0001235500000000, 0.0002641100000000 ] - [ 0.0001635800000000, 0.0001039000000000, -0.0003591000000000 ] - [ -0.0004326100000000, 0.0006368600000000, -0.0000834300000000 ] - [ -0.0005353300000000, -0.0000896500000000, 0.0000462100000000 ] - [ 0.0007771200000000, -0.0012841400000000, 0.0000676700000000 ] - [ -0.0004328900000000, -0.0007232800000000, -0.0000635500000000 ] - [ -0.0013771100000000, -0.0010828600000000, -0.0017236400000000 ] - [ -0.0003577500000000, 0.0005024200000000, -0.0015129600000000 ] - [ 0.0003169900000000, -0.0002990400000000, 0.0001660900000000 ] - [ -0.0002008000000000, 0.0000153000000000, -0.0003198400000000 ] - [ 0.0003937300000000, 0.0002802200000000, 0.0002357500000000 ] - [ -0.0002314000000000, 0.0002666000000000, -0.0000857700000000 ] - [ -0.0001670000000000, -0.0003881700000000, -0.0015084100000000 ] - [ 0.0000326600000000, 0.0000509900000000, -0.0001309900000000 ] - [ -0.0001042200000000, -0.0001246300000000, -0.0003048000000000 ] - [ 0.0002428200000000, -0.0001262800000000, 0.0001190300000000 ] - [ 0.0000014000000000, 0.0004475300000000, 0.0003258300000000 ] - [ -0.0001447600000000, -0.0000596000000000, 0.0002398800000000 ] - [ -0.0002547900000000, 0.0001754300000000, 0.0004061700000000 ] - [ -0.0002955600000000, -0.0003953500000000, 0.0001658400000000 ] - [ 0.0004076400000000, -0.0000995700000000, 0.0000306900000000 ] - [ 0.0000982800000000, -0.0001754700000000, -0.0000525700000000 ] - [ -0.0002735800000000, -0.0001867900000000, -0.0009468200000000 ] - [ -0.0002318400000000, 0.0000634300000000, 0.0001739100000000 ] - [ 0.0000137400000000, -0.0001405000000000, -0.0000721900000000 ] - [ 0.0001005900000000, 0.0001415200000000, 0.0000297300000000 ] - [ -0.0099948900000000, 0.0024114700000000, 0.0798431200000000 ] - [ -0.0002631100000000, 0.0012992100000000, -0.0014652400000000 ] - [ 0.0001979800000000, 0.0000931100000000, -0.0000353300000000 ] - [ -0.0002242100000000, -0.0000121400000000, -0.0002445800000000 ] - [ 0.0002317700000000, -0.0001869800000000, -0.0001279500000000 ] - [ 0.0010245000000000, 0.0008353600000000, 0.0028799900000000 ] - [ -0.0006025000000000, -0.0000801200000000, -0.0005016300000000 ] - [ 0.0000044400000000, 0.0000330900000000, -0.0000672500000000 ] - [ -0.0000985400000000, -0.0000027600000000, -0.0001507200000000 ] - [ -0.0052457300000000, -0.0020170200000000, 0.0160821200000000 ] - [ -0.0002109200000000, 0.0000293700000000, -0.0000044300000000 ] - [ 0.0002380000000000, -0.0000739500000000, -0.0001782800000000 ] - [ 0.0002972000000000, 0.0007394400000000, 0.0002112200000000 ] - [ 0.0000880100000000, 0.0003131300000000, -0.0006835000000000 ] - [ 0.0001684500000000, -0.0001002700000000, 0.0000391800000000 ] - [ -0.0001733700000000, 0.0003601100000000, 0.0001259800000000 ] - [ -0.0001099100000000, 0.0003147500000000, -0.0001411400000000 ] - [ -0.0001108300000000, -0.0002530900000000, 0.0003147700000000 ] - [ 0.0002463500000000, -0.0000686900000000, 0.0001300200000000 ] - [ 0.0096625700000000, -0.0044493500000000, 0.0219133700000000 ] - [ 0.0000399100000000, -0.0000134000000000, -0.0001701600000000 ] - [ -0.0002018000000000, -0.0016958200000000, 0.0011163200000000 ] - [ -0.0011087400000000, 0.0005046700000000, 0.0034887000000000 ] - [ -0.0001623200000000, 0.0000385600000000, 0.0001895500000000 ] - [ -0.0000758900000000, 0.0003225000000000, 0.0002603400000000 ] - [ -0.0001963400000000, -0.0003840400000000, 0.0001426400000000 ] - [ 0.0011957200000000, 0.0004829200000000, 0.0010330900000000 ] - [ 0.0005275400000000, 0.0064792100000000, 0.0012188000000000 ] - [ 0.0000659500000000, 0.0000895000000000, -0.0001301100000000 ] - [ -0.0005791800000000, 0.0010657000000000, 0.0004247600000000 ] - [ -0.0002225900000000, -0.0000684500000000, -0.0000152200000000 ] - [ 0.0000906400000000, -0.0000909700000000, 0.0003460800000000 ] - [ -0.0000077200000000, -0.0004403100000000, 0.0002959800000000 ] - [ 0.0001504800000000, 0.0002018400000000, 0.0004768600000000 ] - [ 0.0006174100000000, 0.0013756200000000, 0.0018010700000000 ] - [ 0.0009923800000000, 0.0011973500000000, -0.0001377600000000 ] - [ 0.0002117100000000, -0.0001253900000000, -0.0002624300000000 ] - [ 0.0001497000000000, 0.0002027400000000, 0.0000254100000000 ] - [ -0.0002926600000000, 0.0001976100000000, -0.0002905500000000 ] - [ 0.0000443500000000, 0.0000987400000000, -0.0000142100000000 ] - [ -0.0005114500000000, 0.0003321300000000, -0.0000505000000000 ] - [ 0.0002568000000000, 0.0001630000000000, -0.0000876400000000 ] - [ -0.0001428100000000, 0.0007178700000000, -0.0000767400000000 ] - [ 0.0001906900000000, 0.0000172100000000, -0.0000715100000000 ] - [ 0.0004149200000000, 0.0001824500000000, 0.0000041800000000 ] - [ 0.0001076400000000, 0.0002170500000000, -0.0000520800000000 ] - [ -0.0488294900000000, -0.0078480200000000, 0.0269506500000000 ] - [ -0.0002283400000000, -0.0003323200000000, 0.0014814200000000 ] - [ 0.0000620000000000, 0.0003548300000000, -0.0000417700000000 ] - [ 0.0003791600000000, -0.0013182400000000, 0.0010017400000000 ] - [ 0.0002473100000000, 0.0000838500000000, 0.0001419300000000 ]- atom: 25 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ 0.0033128400000000, 0.0004914000000000, 0.0001914100000000 ] - [ 0.0007263200000000, 0.0000802500000000, -0.0000262700000000 ] - [ -0.0009821000000000, -0.0002036100000000, 0.0003933200000000 ] - [ -0.0000413000000000, 0.0002039600000000, -0.0001023700000000 ] - [ -0.0001177000000000, 0.0002046800000000, 0.0001450100000000 ] - [ -0.0016190800000000, -0.0001591900000000, 0.0010135000000000 ] - [ 0.0000006300000000, -0.0000541300000000, -0.0001889600000000 ] - [ -0.0000121200000000, 0.0001687200000000, 0.0001399900000000 ] - [ -0.0001208100000000, -0.0002097100000000, 0.0001189900000000 ] - [ -0.0001762000000000, 0.0000397600000000, 0.0000850900000000 ] - [ 0.0000804800000000, 0.0000322100000000, 0.0002625100000000 ] - [ 0.0001009900000000, 0.0002856300000000, 0.0000062300000000 ] - [ -0.0005434300000000, 0.0001703400000000, 0.0001693900000000 ] - [ 0.0000003800000000, 0.0000857800000000, -0.0002302400000000 ] - [ 0.0002607200000000, -0.0001459800000000, -0.0004332600000000 ] - [ -0.0000473900000000, -0.0001556300000000, -0.0004946400000000 ] - [ 0.0000523900000000, 0.0002123100000000, -0.0002018700000000 ] - [ 0.0003760400000000, -0.0002956700000000, -0.0004546200000000 ] - [ -0.0002354800000000, -0.0004985200000000, -0.0004134700000000 ] - [ 0.0001128800000000, -0.0001255000000000, 0.0000577000000000 ] - [ 0.0037451000000000, 0.0032041600000000, 0.0047583800000000 ] - [ 0.0000545400000000, 0.0002740900000000, 0.0001006200000000 ] - [ 0.0000367700000000, 0.0000493600000000, -0.0002288100000000 ] - [ -0.0039656900000000, 0.0086495900000000, 0.0057735900000000 ] - [ -0.0545056300000000, -0.0135770700000000, 0.1442891600000000 ] - [ -0.0002789600000000, -0.0003207700000000, 0.0001902900000000 ] - [ -0.0002319400000000, -0.0002750700000000, -0.0004562300000000 ] - [ -0.0000236800000000, -0.0005300500000000, -0.0001144200000000 ] - [ -0.0003081200000000, 0.0001062500000000, -0.0004430400000000 ] - [ -0.0004022800000000, 0.0007508100000000, -0.0000841300000000 ] - [ 0.0000358700000000, 0.0007046600000000, -0.0003134200000000 ] - [ -0.0000163100000000, 0.0017026800000000, 0.0000940900000000 ] - [ -0.0004017200000000, -0.0006646900000000, -0.0001041400000000 ] - [ 0.0008645400000000, 0.0004724000000000, 0.0014785100000000 ] - [ 0.0002220200000000, -0.0007229400000000, 0.0007339100000000 ] - [ 0.0004429100000000, -0.0001049200000000, -0.0000167700000000 ] - [ 0.0000576100000000, 0.0001979700000000, -0.0004827900000000 ] - [ -0.0012857200000000, 0.0011169800000000, -0.0003865500000000 ] - [ -0.0002743800000000, 0.0003468800000000, -0.0001781500000000 ] - [ 0.0009221700000000, 0.0007914500000000, 0.0016829100000000 ] - [ 0.0001067900000000, -0.0001025600000000, -0.0001412000000000 ] - [ -0.0000970600000000, 0.0002116500000000, -0.0000093100000000 ] - [ 0.0002297300000000, 0.0000566800000000, 0.0002298300000000 ] - [ -0.0000011100000000, 0.0004363800000000, 0.0003218600000000 ] - [ -0.0001706700000000, 0.0000961000000000, 0.0002539500000000 ] - [ 0.0000910100000000, 0.0002913300000000, 0.0002958400000000 ] - [ -0.0000596100000000, -0.0004198100000000, 0.0001706900000000 ] - [ 0.0004470800000000, -0.0002037400000000, 0.0000148300000000 ] - [ 0.0000881800000000, -0.0002129800000000, -0.0000665800000000 ] - [ 0.0004214000000000, 0.0002410500000000, 0.0006792500000000 ] - [ -0.0000832700000000, -0.0000999700000000, 0.0003180400000000 ] - [ -0.0004469400000000, -0.0001271200000000, 0.0001055500000000 ] - [ -0.0000093400000000, -0.0000689400000000, -0.0000319900000000 ] - [ 0.0101688300000000, -0.0039719200000000, -0.0827934900000000 ] - [ 0.0002795900000000, -0.0018661800000000, 0.0014983600000000 ] - [ 0.0001589400000000, -0.0000813700000000, -0.0000557600000000 ] - [ -0.0003761100000000, -0.0003074800000000, -0.0002472600000000 ] - [ 0.0002311500000000, -0.0002447700000000, -0.0001026700000000 ] - [ -0.0007199800000000, -0.0004945200000000, -0.0029547400000000 ] - [ 0.0000052800000000, 0.0003996900000000, 0.0000155100000000 ] - [ 0.0000860600000000, -0.0001069500000000, 0.0000664300000000 ] - [ -0.0001034500000000, -0.0000815400000000, -0.0001647000000000 ] - [ 0.0056725600000000, 0.0020738500000000, -0.0163736300000000 ] - [ -0.0002223100000000, 0.0002389200000000, 0.0000352000000000 ] - [ 0.0001119400000000, 0.0000650900000000, 0.0000853300000000 ] - [ 0.0005553800000000, -0.0004400100000000, -0.0001689800000000 ] - [ 0.0001037700000000, 0.0000728900000000, 0.0005599100000000 ] - [ 0.0001246300000000, -0.0002377200000000, 0.0000169100000000 ] - [ -0.0001809500000000, 0.0004515900000000, 0.0002086500000000 ] - [ 0.0001260600000000, 0.0002090100000000, 0.0001695500000000 ] - [ -0.0000531800000000, -0.0002124300000000, 0.0003876700000000 ] - [ 0.0002261200000000, 0.0001389800000000, 0.0002197300000000 ] - [ -0.0096181400000000, 0.0043963800000000, -0.0224104100000000 ] - [ -0.0002431400000000, 0.0000984500000000, -0.0001475500000000 ] - [ 0.0006745200000000, 0.0016508300000000, -0.0007821700000000 ] - [ 0.0011242200000000, 0.0003817000000000, -0.0028820400000000 ] - [ -0.0001536400000000, -0.0000028600000000, 0.0003034900000000 ] - [ -0.0000873000000000, 0.0001432500000000, 0.0004428000000000 ] - [ -0.0001576000000000, -0.0004288600000000, 0.0001934200000000 ] - [ -0.0003363100000000, -0.0007814400000000, -0.0010064500000000 ] - [ -0.0003654800000000, -0.0068722600000000, -0.0013490700000000 ] - [ 0.0000734000000000, -0.0000374400000000, -0.0001419800000000 ] - [ 0.0002788000000000, -0.0011090600000000, 0.0000592200000000 ] - [ -0.0002106500000000, -0.0001985900000000, 0.0000454500000000 ] - [ -0.0000009200000000, 0.0001663000000000, -0.0003534800000000 ] - [ 0.0000081300000000, -0.0004436900000000, 0.0003514600000000 ] - [ -0.0001339300000000, -0.0007285300000000, -0.0004581800000000 ] - [ -0.0002593000000000, -0.0013562200000000, -0.0019089000000000 ] - [ -0.0015976700000000, -0.0015219000000000, -0.0003599600000000 ] - [ 0.0002539200000000, -0.0003080700000000, 0.0000349600000000 ] - [ 0.0001435800000000, 0.0001357300000000, 0.0000306000000000 ] - [ -0.0003067200000000, 0.0001217100000000, -0.0002003100000000 ] - [ 0.0000465100000000, -0.0001742400000000, 0.0000155000000000 ] - [ 0.0003036000000000, -0.0004266600000000, -0.0002649300000000 ] - [ 0.0002063400000000, 0.0002686500000000, -0.0001426100000000 ] - [ -0.0002953200000000, -0.0004516700000000, 0.0000957700000000 ] - [ 0.0001663600000000, -0.0000298600000000, -0.0000189700000000 ] - [ 0.0004397700000000, 0.0001201700000000, 0.0000414800000000 ] - [ 0.0000788000000000, 0.0001715100000000, -0.0000670600000000 ] - [ 0.0479312500000000, 0.0070418700000000, -0.0268112700000000 ] - [ -0.0001226400000000, 0.0011512900000000, -0.0011487000000000 ] - [ -0.0000466200000000, 0.0001679800000000, 0.0000702700000000 ] - [ -0.0005438000000000, 0.0008677400000000, -0.0003109100000000 ] - [ 0.0002243300000000, -0.0000142600000000, 0.0002073100000000 ]- atom: 26 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0000445000000000, -0.0001986900000000, 0.0002498700000000 ] - [ 0.0000442900000000, -0.0000590600000000, 0.0000264600000000 ] - [ -0.0000427300000000, -0.0000789400000000, -0.0001115700000000 ] - [ -0.0016784700000000, 0.0014577300000000, 0.0009815100000000 ] - [ -0.0004891200000000, 0.0003525700000000, 0.0000705600000000 ] - [ -0.0000069700000000, 0.0001385200000000, -0.0002019400000000 ] - [ 0.0004056300000000, -0.0001228900000000, -0.0001740400000000 ] - [ 0.0007473200000000, 0.0001249300000000, 0.0000619100000000 ] - [ -0.0000334800000000, -0.0024709600000000, -0.0005374300000000 ] - [ -0.0001020700000000, -0.0001650700000000, -0.0000521900000000 ] - [ 0.0000031200000000, -0.0002179600000000, 0.0001722400000000 ] - [ 0.0000297600000000, 0.0001277600000000, -0.0000689300000000 ] - [ -0.0000535300000000, 0.0001352500000000, 0.0001314600000000 ] - [ 0.0003833800000000, 0.0023987600000000, -0.0001910100000000 ] - [ -0.0000387000000000, -0.0001275100000000, -0.0002063000000000 ] - [ -0.0000723000000000, 0.0000965000000000, 0.0001200600000000 ] - [ 0.0110739200000000, 0.0039821400000000, -0.0090620800000000 ] - [ -0.0003927300000000, -0.0000741500000000, 0.0001203700000000 ] - [ 0.0004499600000000, -0.0002895000000000, -0.0002222500000000 ] - [ 0.0116928800000000, -0.0027532300000000, 0.0087582300000000 ] - [ 0.0000921600000000, 0.0001796300000000, -0.0000994300000000 ] - [ 0.0005908000000000, -0.0000124100000000, 0.0002868700000000 ] - [ -0.0003344300000000, -0.0011490200000000, 0.0000284900000000 ] - [ -0.0000197900000000, -0.0002654500000000, 0.0000819200000000 ] - [ -0.0004554100000000, -0.0006754700000000, -0.0000699900000000 ] - [ -0.1718715900000000, 0.0011273000000000, 0.0005050700000000 ] - [ 0.0041538900000000, -0.0000491500000000, -0.0002650800000000 ] - [ 0.0004823700000000, 0.0001383900000000, -0.0001824900000000 ] - [ -0.0000970500000000, -0.0010451800000000, -0.0006351700000000 ] - [ 0.0005344800000000, 0.0000570400000000, -0.0000537000000000 ] - [ -0.0002329400000000, 0.0003107000000000, 0.0000572700000000 ] - [ 0.0056372200000000, 0.0015048200000000, -0.0002950300000000 ] - [ 0.0028707600000000, -0.0014097700000000, -0.0001370000000000 ] - [ -0.0001230000000000, -0.0002995500000000, -0.0000779300000000 ] - [ -0.0007599600000000, -0.0000909400000000, -0.0003924100000000 ] - [ 0.0002607100000000, -0.0002012100000000, 0.0003715000000000 ] - [ -0.0000132300000000, 0.0000343200000000, -0.0002661400000000 ] - [ -0.0005661100000000, 0.0005812100000000, -0.0001127200000000 ] - [ -0.0008849300000000, 0.0014341200000000, -0.0005566200000000 ] - [ 0.0004062700000000, 0.0001430300000000, 0.0000005600000000 ] - [ -0.0013925000000000, 0.0008477900000000, 0.0010672500000000 ] - [ 0.0000415000000000, -0.0005884100000000, -0.0007981600000000 ] - [ -0.0013688400000000, -0.0003843300000000, -0.0000712400000000 ] - [ -0.0003474200000000, 0.0003178500000000, 0.0011703600000000 ] - [ -0.0003088900000000, -0.0000885800000000, 0.0002487600000000 ] - [ -0.0002326500000000, 0.0005474000000000, 0.0004999800000000 ] - [ -0.0000950500000000, -0.0003033000000000, 0.0005911200000000 ] - [ 0.0634717600000000, 0.0014349300000000, 0.0432977100000000 ] - [ -0.0016785300000000, -0.0001061600000000, -0.0001060800000000 ] - [ -0.0000098200000000, 0.0002664300000000, -0.0000207800000000 ] - [ 0.0054324900000000, 0.0024202700000000, -0.0025551400000000 ] - [ -0.0002214500000000, -0.0001885300000000, -0.0000216900000000 ] - [ -0.0012308500000000, -0.0001377800000000, -0.0000240900000000 ] - [ 0.0000032400000000, -0.0004371600000000, 0.0003700800000000 ] - [ 0.0004850200000000, -0.0002423300000000, 0.0000208400000000 ] - [ 0.0600798500000000, -0.0091598400000000, -0.0468618400000000 ] - [ 0.0050864600000000, -0.0029661500000000, 0.0029474500000000 ] - [ -0.0002617000000000, 0.0004626900000000, -0.0008066300000000 ] - [ 0.0002043100000000, 0.0002325200000000, 0.0000414600000000 ] - [ -0.0002013500000000, -0.0000412100000000, -0.0003207700000000 ] - [ 0.0000703000000000, 0.0006944700000000, 0.0007016000000000 ] - [ -0.0006899200000000, -0.0000827900000000, -0.0001582700000000 ] - [ 0.0003703400000000, 0.0002508000000000, -0.0001183500000000 ] - [ 0.0137221000000000, 0.0039876900000000, 0.0031158600000000 ] - [ 0.0002383300000000, 0.0000220600000000, -0.0000759000000000 ] - [ 0.0003435200000000, 0.0001594900000000, -0.0000252400000000 ] - [ 0.0000881300000000, 0.0002468100000000, 0.0000253900000000 ] - [ -0.0018363300000000, -0.0006318000000000, -0.0011462000000000 ] - [ 0.0004174600000000, 0.0004470600000000, 0.0001907600000000 ] - [ -0.0001069600000000, 0.0000645300000000, 0.0000337900000000 ] - [ -0.0026433500000000, -0.0004523600000000, 0.0007105400000000 ] - [ 0.0004783100000000, 0.0004143700000000, 0.0001422700000000 ] - [ 0.0000503800000000, -0.0000250600000000, -0.0001428900000000 ] - [ -0.0002263600000000, 0.0000744500000000, -0.0001454300000000 ] - [ 0.0002053500000000, 0.0001619700000000, 0.0001804000000000 ] - [ 0.0000110800000000, 0.0004593900000000, 0.0003181900000000 ] - [ 0.0001594600000000, 0.0000739300000000, 0.0002975600000000 ] - [ -0.0000481400000000, 0.0002777300000000, 0.0003527700000000 ] - [ -0.0002050200000000, -0.0003487700000000, 0.0001878300000000 ] - [ 0.0003674500000000, -0.0001685100000000, 0.0000069400000000 ] - [ 0.0001210500000000, -0.0002072800000000, -0.0000667700000000 ] - [ -0.0003884300000000, 0.0006632300000000, -0.0005448300000000 ] - [ -0.0002027400000000, 0.0000138200000000, 0.0002377800000000 ] - [ -0.0000592000000000, -0.0005909600000000, -0.0001428700000000 ] - [ 0.0014747800000000, 0.0001561100000000, 0.0000010700000000 ] - [ -0.0009324500000000, -0.0003246000000000, 0.0002500800000000 ] - [ 0.0000136400000000, -0.0002243400000000, 0.0000432600000000 ] - [ 0.0001487300000000, 0.0000253900000000, -0.0000533500000000 ] - [ -0.0003079400000000, -0.0001462500000000, -0.0002345000000000 ] - [ 0.0002716500000000, -0.0001440300000000, -0.0001307900000000 ] - [ 0.0002252300000000, 0.0003295000000000, -0.0002124100000000 ] - [ -0.0003243900000000, 0.0001063100000000, -0.0002154000000000 ] - [ 0.0000271000000000, 0.0000542200000000, -0.0000917000000000 ] - [ -0.0000502200000000, -0.0000288900000000, -0.0001184800000000 ] - [ -0.0003581000000000, 0.0002630800000000, -0.0000752000000000 ] - [ -0.0002372400000000, 0.0001518100000000, -0.0000001600000000 ] - [ -0.0001039700000000, -0.0004232400000000, -0.0000645000000000 ] - [ 0.0010062300000000, -0.0000562800000000, 0.0000882700000000 ] - [ -0.0000817700000000, 0.0003646400000000, -0.0005029400000000 ] - [ 0.0001358200000000, -0.0001901600000000, 0.0000391800000000 ] - [ -0.0001905400000000, 0.0003724600000000, 0.0001593900000000 ] - [ 0.0000305400000000, 0.0001774600000000, -0.0000352600000000 ] - [ -0.0001379900000000, -0.0005423200000000, 0.0003250900000000 ] - [ 0.0001526100000000, 0.0001201900000000, 0.0001719200000000 ]- atom: 26 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0001665400000000, -0.0001486700000000, 0.0000368100000000 ] - [ -0.0001104800000000, -0.0002622200000000, -0.0001496400000000 ] - [ 0.0000071600000000, -0.0001959200000000, 0.0003627600000000 ] - [ 0.0016051400000000, -0.0011530500000000, -0.0011151400000000 ] - [ 0.0002787500000000, -0.0000069100000000, 0.0002137400000000 ] - [ -0.0000023700000000, 0.0000520100000000, -0.0001958900000000 ] - [ -0.0004145900000000, -0.0000636500000000, -0.0002329600000000 ] - [ -0.0007853100000000, 0.0001519000000000, 0.0001922700000000 ] - [ -0.0001746500000000, 0.0021405800000000, 0.0008245400000000 ] - [ 0.0000379500000000, -0.0001552400000000, -0.0000713800000000 ] - [ -0.0000412800000000, -0.0000558200000000, 0.0000786100000000 ] - [ -0.0000961200000000, 0.0001937000000000, -0.0000531000000000 ] - [ -0.0001573000000000, 0.0002105700000000, 0.0001540200000000 ] - [ -0.0003963300000000, -0.0021934000000000, -0.0002061700000000 ] - [ 0.0000292000000000, -0.0000646600000000, -0.0001926400000000 ] - [ 0.0000363100000000, 0.0001781100000000, 0.0001327000000000 ] - [ -0.0110229500000000, -0.0037731100000000, 0.0087411200000000 ] - [ 0.0004633500000000, 0.0004165300000000, 0.0001292300000000 ] - [ -0.0002782600000000, 0.0000418800000000, -0.0001285000000000 ] - [ -0.0114912600000000, 0.0023726600000000, -0.0084630800000000 ] - [ 0.0000790600000000, 0.0000627300000000, -0.0002526600000000 ] - [ -0.0005243600000000, 0.0003595000000000, -0.0000393800000000 ] - [ 0.0005086500000000, 0.0009151300000000, -0.0003823400000000 ] - [ 0.0000905700000000, -0.0000849400000000, 0.0001665000000000 ] - [ -0.0003788000000000, -0.0007118500000000, -0.0000957500000000 ] - [ 0.1718793000000000, -0.0008022100000000, 0.0038544700000000 ] - [ -0.0043013100000000, -0.0001712500000000, -0.0005301900000000 ] - [ 0.0002770800000000, -0.0005423100000000, 0.0003352100000000 ] - [ -0.0000488300000000, 0.0012544800000000, -0.0001691200000000 ] - [ -0.0013791600000000, 0.0013158000000000, -0.0001146500000000 ] - [ -0.0002724500000000, 0.0003002900000000, -0.0003216400000000 ] - [ -0.0048680100000000, -0.0008378100000000, 0.0001598200000000 ] - [ -0.0037019800000000, 0.0000371800000000, -0.0000366700000000 ] - [ -0.0003825100000000, -0.0003131100000000, -0.0001900000000000 ] - [ 0.0006156400000000, -0.0001143900000000, -0.0004142500000000 ] - [ 0.0004980700000000, -0.0002010700000000, -0.0002197500000000 ] - [ -0.0001315900000000, 0.0001809800000000, -0.0005370200000000 ] - [ -0.0002688400000000, 0.0008015100000000, -0.0000546100000000 ] - [ 0.0003839800000000, -0.0008118800000000, 0.0002874400000000 ] - [ 0.0003541700000000, 0.0002611400000000, 0.0001541100000000 ] - [ 0.0015484200000000, -0.0008958900000000, -0.0013385800000000 ] - [ -0.0002416900000000, 0.0006825500000000, 0.0004898200000000 ] - [ 0.0018307300000000, 0.0003196200000000, 0.0004103600000000 ] - [ 0.0003506100000000, 0.0005619000000000, -0.0005213200000000 ] - [ -0.0000066900000000, 0.0001253600000000, 0.0002452900000000 ] - [ 0.0000700700000000, -0.0000765600000000, 0.0002018900000000 ] - [ -0.0002597200000000, -0.0005153200000000, -0.0002561200000000 ] - [ -0.0652812300000000, -0.0019689300000000, -0.0453962600000000 ] - [ 0.0018511200000000, -0.0002740700000000, -0.0000056900000000 ] - [ 0.0001512900000000, -0.0002153000000000, -0.0002497600000000 ] - [ -0.0057742200000000, -0.0024683300000000, 0.0030964300000000 ] - [ -0.0002113900000000, -0.0000793100000000, 0.0000518300000000 ] - [ 0.0013225300000000, 0.0002053400000000, 0.0000253400000000 ] - [ -0.0000027800000000, -0.0004436500000000, 0.0002767300000000 ] - [ -0.0004680200000000, -0.0002934000000000, 0.0000054800000000 ] - [ -0.0575350800000000, 0.0086264300000000, 0.0446802700000000 ] - [ -0.0056598100000000, 0.0026274100000000, -0.0033832900000000 ] - [ 0.0007283300000000, -0.0008926500000000, 0.0005738900000000 ] - [ 0.0000868200000000, 0.0001040500000000, 0.0000136600000000 ] - [ -0.0003979400000000, 0.0003627700000000, -0.0001687700000000 ] - [ 0.0000166300000000, -0.0007632000000000, -0.0006968800000000 ] - [ 0.0004890100000000, -0.0000078700000000, -0.0001571600000000 ] - [ 0.0000933100000000, 0.0001880300000000, -0.0001135200000000 ] - [ -0.0141998700000000, -0.0040293500000000, -0.0033787400000000 ] - [ 0.0001188900000000, -0.0000348400000000, -0.0000167200000000 ] - [ 0.0005110000000000, 0.0001430800000000, 0.0000697700000000 ] - [ 0.0000980400000000, 0.0001443800000000, -0.0001455000000000 ] - [ 0.0021079500000000, 0.0002950600000000, 0.0012084900000000 ] - [ -0.0007707800000000, 0.0003711700000000, 0.0001425000000000 ] - [ 0.0001227000000000, 0.0004624700000000, -0.0000069000000000 ] - [ 0.0024931500000000, -0.0000121900000000, -0.0000148900000000 ] - [ -0.0000078800000000, -0.0003414000000000, 0.0002061200000000 ] - [ 0.0000910100000000, -0.0000241100000000, -0.0001287500000000 ] - [ 0.0000265000000000, 0.0000123000000000, -0.0001690100000000 ] - [ 0.0002637800000000, -0.0002253500000000, 0.0001695100000000 ] - [ -0.0000103300000000, 0.0004220500000000, 0.0003277300000000 ] - [ -0.0004762900000000, -0.0000389000000000, 0.0001978800000000 ] - [ -0.0001135100000000, 0.0001899000000000, 0.0003496200000000 ] - [ -0.0001495500000000, -0.0004663600000000, 0.0001481700000000 ] - [ 0.0004888600000000, -0.0001323600000000, 0.0000383300000000 ] - [ 0.0000649700000000, -0.0001833300000000, -0.0000537900000000 ] - [ 0.0005377300000000, -0.0006281500000000, 0.0002953500000000 ] - [ -0.0001118800000000, -0.0000502300000000, 0.0002564600000000 ] - [ -0.0003705400000000, 0.0003120500000000, 0.0001810000000000 ] - [ -0.0013839100000000, -0.0001199200000000, 0.0000078400000000 ] - [ 0.0009349700000000, -0.0005726000000000, 0.0003939900000000 ] - [ 0.0000026000000000, -0.0003017200000000, -0.0000165600000000 ] - [ 0.0002071000000000, -0.0000106300000000, -0.0000388300000000 ] - [ -0.0002927000000000, -0.0001738700000000, -0.0002551100000000 ] - [ 0.0001913500000000, -0.0002849700000000, -0.0001004100000000 ] - [ 0.0000677100000000, 0.0000071200000000, 0.0002698500000000 ] - [ -0.0002760900000000, 0.0002133300000000, -0.0002731000000000 ] - [ 0.0000633000000000, -0.0001300500000000, 0.0000919100000000 ] - [ -0.0001517300000000, -0.0000577000000000, -0.0001993400000000 ] - [ 0.0008218200000000, 0.0001683600000000, -0.0001566400000000 ] - [ -0.0001955100000000, 0.0001179200000000, 0.0000317900000000 ] - [ 0.0004586000000000, 0.0004043500000000, -0.0000261400000000 ] - [ -0.0001532000000000, 0.0003562100000000, -0.0000435800000000 ] - [ 0.0002693900000000, 0.0000279200000000, 0.0003844800000000 ] - [ 0.0001550400000000, -0.0001458100000000, 0.0000163600000000 ] - [ -0.0001634300000000, 0.0004448700000000, 0.0001783100000000 ] - [ -0.0000149000000000, 0.0003468300000000, 0.0000633800000000 ] - [ -0.0000228600000000, 0.0000814900000000, 0.0003781800000000 ] - [ 0.0003190200000000, -0.0000492400000000, 0.0001765800000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000723700000000, 0.0000537400000000, 0.0001212300000000 ] - [ -0.0002252100000000, 0.0005827200000000, -0.0002146100000000 ] - [ 0.0001741800000000, 0.0006031000000000, 0.0000101300000000 ] - [ 0.0005290900000000, 0.0003682700000000, 0.0006339800000000 ] - [ -0.0000064600000000, -0.0002053800000000, 0.0001453000000000 ] - [ -0.0000298500000000, 0.0003044000000000, -0.0002290500000000 ] - [ -0.0000187700000000, -0.0019794400000000, 0.0023090200000000 ] - [ -0.0001021500000000, 0.0000518400000000, 0.0002073800000000 ] - [ -0.0025703400000000, 0.0004323100000000, -0.0016538500000000 ] - [ -0.0002744600000000, -0.0000181900000000, 0.0000367400000000 ] - [ 0.0002253800000000, -0.0000003500000000, 0.0002249700000000 ] - [ -0.0000243000000000, 0.0002752300000000, -0.0000785900000000 ] - [ -0.0001091800000000, 0.0003507400000000, 0.0002330700000000 ] - [ 0.0021310900000000, 0.0004695100000000, -0.0023437400000000 ] - [ 0.0000194500000000, 0.0000623500000000, -0.0001450700000000 ] - [ -0.0000016900000000, 0.0002660300000000, 0.0000645400000000 ] - [ 0.0032893900000000, -0.0008755800000000, 0.0001474700000000 ] - [ -0.0000004400000000, 0.0006818100000000, 0.0001734700000000 ] - [ 0.0001126700000000, 0.0003562300000000, -0.0001391800000000 ] - [ -0.0038837200000000, -0.0017875600000000, -0.0009162800000000 ] - [ 0.0002432900000000, 0.0007602100000000, -0.0001828700000000 ] - [ 0.0005978800000000, -0.0000095100000000, 0.0004806200000000 ] - [ -0.0000955300000000, -0.0007516100000000, -0.0000925200000000 ] - [ -0.0001678200000000, 0.0005022400000000, 0.0001096300000000 ] - [ -0.0006228200000000, -0.0003058700000000, -0.0001341300000000 ] - [ 0.0006890700000000, -0.1777385400000000, -0.0368173600000000 ] - [ -0.0002156200000000, 0.0007667100000000, -0.0012591700000000 ] - [ 0.0004370400000000, -0.0000615800000000, 0.0002302600000000 ] - [ 0.0000724000000000, 0.0001341000000000, -0.0006611100000000 ] - [ -0.0000041800000000, 0.0002359200000000, 0.0004817500000000 ] - [ -0.0002562900000000, 0.0005521300000000, -0.0003346800000000 ] - [ 0.0012458800000000, 0.0543811300000000, -0.0320765700000000 ] - [ -0.0011307400000000, 0.0013183400000000, -0.0011668100000000 ] - [ -0.0002462500000000, -0.0000723600000000, 0.0001952300000000 ] - [ -0.0001311800000000, 0.0009615100000000, -0.0017034400000000 ] - [ 0.0006137400000000, -0.0000579700000000, -0.0001988500000000 ] - [ 0.0001026300000000, 0.0002990200000000, -0.0002299000000000 ] - [ -0.0003664800000000, 0.0008954900000000, -0.0000230900000000 ] - [ -0.0013768400000000, -0.0007446000000000, 0.0005680900000000 ] - [ 0.0004088400000000, 0.0002790400000000, -0.0000307000000000 ] - [ -0.0028138100000000, 0.0007911900000000, 0.0006352100000000 ] - [ -0.0002496300000000, 0.0001765700000000, -0.0001981600000000 ] - [ 0.0001816700000000, -0.0008670400000000, 0.0001337400000000 ] - [ -0.0001910400000000, 0.0004364700000000, 0.0003474900000000 ] - [ -0.0001709100000000, -0.0000860000000000, 0.0002253400000000 ] - [ -0.0000887200000000, 0.0001610100000000, 0.0003164200000000 ] - [ -0.0001650100000000, -0.0004280900000000, 0.0002118300000000 ] - [ 0.0028396200000000, 0.0130278700000000, 0.0023482700000000 ] - [ 0.0007440200000000, 0.0000629700000000, 0.0004507800000000 ] - [ 0.0000176100000000, -0.0001904100000000, -0.0001682200000000 ] - [ -0.0023813400000000, -0.0010552200000000, 0.0026827700000000 ] - [ -0.0002031700000000, -0.0003682700000000, 0.0001223000000000 ] - [ 0.0000608400000000, -0.0000680100000000, 0.0001162900000000 ] - [ 0.0000080300000000, -0.0004806600000000, 0.0004056100000000 ] - [ 0.0000938300000000, 0.0025495500000000, -0.0000146000000000 ] - [ -0.0084766800000000, 0.0156037100000000, 0.0075595000000000 ] - [ 0.0013302600000000, -0.0010300800000000, 0.0020775300000000 ] - [ 0.0001964300000000, 0.0000520500000000, -0.0000652600000000 ] - [ 0.0001541700000000, -0.0000264800000000, 0.0000381300000000 ] - [ -0.0003019600000000, 0.0000475800000000, -0.0002730200000000 ] - [ 0.0001733000000000, -0.0002662700000000, 0.0005755900000000 ] - [ 0.0000303600000000, 0.0003689700000000, -0.0002059600000000 ] - [ 0.0003503000000000, 0.0003845400000000, -0.0002563700000000 ] - [ 0.0018401200000000, 0.0909246800000000, 0.0540306900000000 ] - [ 0.0001572700000000, -0.0001257800000000, -0.0000585200000000 ] - [ 0.0004403200000000, 0.0000191800000000, 0.0000397000000000 ] - [ 0.0000964700000000, 0.0001092800000000, -0.0000808100000000 ] - [ 0.0065581100000000, 0.0001821700000000, 0.0017245700000000 ] - [ -0.0004404000000000, 0.0002770500000000, -0.0003275800000000 ] - [ -0.0000463400000000, 0.0001290500000000, -0.0000204900000000 ] - [ 0.0003330600000000, -0.0008778900000000, 0.0002653600000000 ] - [ 0.0001631200000000, -0.0001788100000000, 0.0002046500000000 ] - [ 0.0001050300000000, -0.0004526600000000, -0.0000476400000000 ] - [ -0.0002129600000000, 0.0001422000000000, -0.0001815100000000 ] - [ 0.0003224000000000, -0.0006608000000000, 0.0001684400000000 ] - [ -0.0000255500000000, 0.0004386700000000, 0.0003344300000000 ] - [ -0.0000161400000000, 0.0000082100000000, 0.0002789700000000 ] - [ -0.0000643700000000, 0.0001020400000000, 0.0003630600000000 ] - [ -0.0001061500000000, -0.0004650400000000, 0.0003108200000000 ] - [ 0.0003421800000000, -0.0003096900000000, -0.0000179700000000 ] - [ 0.0001289900000000, -0.0003659100000000, -0.0000127200000000 ] - [ 0.0002660700000000, 0.0010210600000000, -0.0008084800000000 ] - [ -0.0001991400000000, -0.0001275100000000, 0.0002386400000000 ] - [ -0.0000840400000000, 0.0003377300000000, 0.0000524400000000 ] - [ 0.0000709100000000, 0.0016668300000000, 0.0010712800000000 ] - [ -0.0005020100000000, -0.0009749300000000, 0.0006345000000000 ] - [ -0.0000316400000000, -0.0003577400000000, -0.0000241700000000 ] - [ 0.0002499600000000, -0.0001620200000000, -0.0000752800000000 ] - [ -0.0002594800000000, -0.0002583800000000, -0.0002428200000000 ] - [ 0.0002479600000000, -0.0003696700000000, -0.0000711400000000 ] - [ -0.0000702900000000, 0.0004341800000000, 0.0001018100000000 ] - [ -0.0002705100000000, 0.0000917700000000, -0.0002752600000000 ] - [ 0.0000080400000000, -0.0001021000000000, -0.0000490900000000 ] - [ -0.0000794500000000, -0.0002459700000000, 0.0004912100000000 ] - [ 0.0002723200000000, 0.0003718000000000, 0.0000219700000000 ] - [ -0.0002473600000000, -0.0001692400000000, -0.0001453600000000 ] - [ 0.0005452200000000, 0.0003481100000000, -0.0008013100000000 ] - [ 0.0006141100000000, 0.0004169700000000, -0.0002028200000000 ] - [ -0.0001242500000000, 0.0004626300000000, -0.0002616300000000 ] - [ 0.0001664600000000, -0.0004962100000000, -0.0000070000000000 ] - [ -0.0000916200000000, -0.0001470900000000, -0.0000725800000000 ] - [ -0.0000243100000000, 0.0001665900000000, 0.0001109400000000 ] - [ -0.0001860000000000, -0.0008546300000000, 0.0003820500000000 ] - [ 0.0000564400000000, -0.0000796800000000, 0.0001520900000000 ]- atom: 26 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001382600000000, -0.0003999400000000, 0.0001656000000000 ] - [ 0.0001636100000000, -0.0009064500000000, 0.0000927500000000 ] - [ -0.0002147900000000, -0.0008802200000000, 0.0002415900000000 ] - [ -0.0005976400000000, -0.0000435800000000, -0.0007604400000000 ] - [ -0.0002044500000000, 0.0005508800000000, 0.0001408400000000 ] - [ 0.0000201100000000, -0.0001124900000000, -0.0001686600000000 ] - [ 0.0000099700000000, 0.0017869800000000, -0.0026832200000000 ] - [ 0.0000649500000000, 0.0002257900000000, 0.0000470500000000 ] - [ 0.0023348100000000, -0.0007632900000000, 0.0019269000000000 ] - [ 0.0002071300000000, -0.0003024600000000, -0.0001591400000000 ] - [ -0.0002604500000000, -0.0002735100000000, 0.0000269600000000 ] - [ -0.0000415400000000, 0.0000462000000000, -0.0000443000000000 ] - [ -0.0001015500000000, -0.0000040100000000, 0.0000535200000000 ] - [ -0.0021215400000000, -0.0002631900000000, 0.0019286700000000 ] - [ -0.0000290700000000, -0.0002539200000000, -0.0002532000000000 ] - [ -0.0000347000000000, 0.0000084000000000, 0.0001863600000000 ] - [ -0.0031077900000000, 0.0011395000000000, -0.0005394700000000 ] - [ 0.0000700700000000, -0.0003370100000000, 0.0000765100000000 ] - [ 0.0000591700000000, -0.0006018100000000, -0.0002111200000000 ] - [ 0.0039399700000000, 0.0014476100000000, 0.0011248700000000 ] - [ -0.0000701200000000, -0.0005109700000000, -0.0001668700000000 ] - [ -0.0005287000000000, 0.0003529800000000, -0.0002316500000000 ] - [ 0.0002664800000000, 0.0005094700000000, -0.0002606100000000 ] - [ 0.0002356500000000, -0.0008450800000000, 0.0001412600000000 ] - [ -0.0002133500000000, -0.0010911400000000, -0.0000242700000000 ] - [ -0.0014563900000000, 0.1753526700000000, 0.0318351700000000 ] - [ 0.0000708300000000, -0.0009828200000000, 0.0004568700000000 ] - [ 0.0003220600000000, -0.0003427500000000, -0.0000781000000000 ] - [ -0.0002193700000000, 0.0000801100000000, -0.0001435300000000 ] - [ -0.0008354600000000, 0.0011455100000000, -0.0006480600000000 ] - [ -0.0002486400000000, 0.0000613800000000, 0.0000707300000000 ] - [ -0.0005076800000000, -0.0555429000000000, 0.0336225200000000 ] - [ 0.0003120300000000, -0.0026802300000000, 0.0009810600000000 ] - [ -0.0002590800000000, -0.0005404700000000, -0.0004578600000000 ] - [ -0.0000143900000000, -0.0011485200000000, 0.0008908500000000 ] - [ 0.0001475600000000, -0.0003471400000000, 0.0003498900000000 ] - [ -0.0002461900000000, -0.0000858700000000, -0.0005728700000000 ] - [ -0.0004684000000000, 0.0004912800000000, -0.0001435400000000 ] - [ 0.0008721100000000, 0.0013629200000000, -0.0008332200000000 ] - [ 0.0003511700000000, 0.0001256600000000, 0.0001817200000000 ] - [ 0.0029635700000000, -0.0008466200000000, -0.0008901300000000 ] - [ 0.0000500900000000, -0.0000880400000000, -0.0001120000000000 ] - [ 0.0002929400000000, 0.0007930900000000, 0.0002113100000000 ] - [ 0.0001914300000000, 0.0004452800000000, 0.0003006500000000 ] - [ -0.0001450900000000, 0.0001228300000000, 0.0002676600000000 ] - [ -0.0000742600000000, 0.0003068100000000, 0.0003848200000000 ] - [ -0.0001897500000000, -0.0003863500000000, 0.0001230100000000 ] - [ -0.0017405600000000, -0.0132663800000000, -0.0020626100000000 ] - [ -0.0005592600000000, -0.0004546500000000, -0.0005660800000000 ] - [ 0.0001217100000000, 0.0002412200000000, -0.0001030500000000 ] - [ 0.0020381000000000, 0.0010343300000000, -0.0021435800000000 ] - [ -0.0002294800000000, 0.0001005700000000, -0.0000919400000000 ] - [ 0.0000300900000000, 0.0001413400000000, -0.0001149400000000 ] - [ -0.0000076700000000, -0.0004018900000000, 0.0002397000000000 ] - [ -0.0000804500000000, -0.0032625800000000, -0.0000081400000000 ] - [ 0.0087000000000000, -0.0154635600000000, -0.0074605000000000 ] - [ -0.0019004400000000, 0.0007219100000000, -0.0025247300000000 ] - [ 0.0002663500000000, -0.0004796400000000, -0.0001687300000000 ] - [ 0.0001382700000000, 0.0003635200000000, 0.0000175500000000 ] - [ -0.0002975200000000, 0.0002727500000000, -0.0002173000000000 ] - [ -0.0000824400000000, 0.0001899700000000, -0.0005772400000000 ] - [ -0.0002330000000000, -0.0004565200000000, -0.0001083800000000 ] - [ 0.0001126400000000, 0.0000689700000000, 0.0000163500000000 ] - [ -0.0020645700000000, -0.0873764100000000, -0.0510901100000000 ] - [ 0.0001995900000000, 0.0001131400000000, -0.0000331900000000 ] - [ 0.0004142900000000, 0.0002829800000000, 0.0000047300000000 ] - [ 0.0000900700000000, 0.0002806800000000, -0.0000389700000000 ] - [ -0.0063084400000000, -0.0005234900000000, -0.0016515700000000 ] - [ 0.0000867800000000, 0.0005375300000000, 0.0006660100000000 ] - [ 0.0000619800000000, 0.0003962300000000, 0.0000462600000000 ] - [ -0.0004973300000000, 0.0004071900000000, 0.0004321400000000 ] - [ 0.0003093500000000, 0.0002498500000000, 0.0001429500000000 ] - [ 0.0000348100000000, 0.0003981300000000, -0.0002242300000000 ] - [ 0.0000107700000000, -0.0000556700000000, -0.0001330200000000 ] - [ 0.0001502700000000, 0.0005871800000000, 0.0001804600000000 ] - [ 0.0000260900000000, 0.0004437900000000, 0.0003117500000000 ] - [ -0.0003008300000000, 0.0000286100000000, 0.0002169700000000 ] - [ -0.0000989700000000, 0.0003649400000000, 0.0003394500000000 ] - [ -0.0002478000000000, -0.0003484500000000, 0.0000256000000000 ] - [ 0.0005128900000000, 0.0000074700000000, 0.0000623500000000 ] - [ 0.0000577900000000, -0.0000227700000000, -0.0001070500000000 ] - [ -0.0001245000000000, -0.0009783600000000, 0.0005495700000000 ] - [ -0.0001159800000000, 0.0000899000000000, 0.0002546600000000 ] - [ -0.0003473200000000, -0.0006106200000000, -0.0000168000000000 ] - [ 0.0000218900000000, -0.0016416000000000, -0.0010618900000000 ] - [ 0.0005037100000000, 0.0000871100000000, 0.0000135900000000 ] - [ 0.0000473600000000, -0.0001661100000000, 0.0000515000000000 ] - [ 0.0001073100000000, 0.0001746600000000, -0.0000170200000000 ] - [ -0.0003404300000000, -0.0000622800000000, -0.0002476900000000 ] - [ 0.0002148400000000, -0.0000604300000000, -0.0001598100000000 ] - [ 0.0003632300000000, -0.0000964600000000, -0.0000461900000000 ] - [ -0.0003302400000000, 0.0002285500000000, -0.0002132400000000 ] - [ 0.0000824500000000, 0.0000268300000000, 0.0000486900000000 ] - [ -0.0001229600000000, 0.0001572100000000, -0.0008025400000000 ] - [ 0.0001927100000000, 0.0000638300000000, -0.0002530700000000 ] - [ -0.0001853800000000, 0.0004359000000000, 0.0001753800000000 ] - [ -0.0001889900000000, -0.0003662900000000, 0.0007078400000000 ] - [ 0.0002405800000000, -0.0001149400000000, 0.0002480500000000 ] - [ 0.0003107200000000, -0.0000714100000000, 0.0001419600000000 ] - [ 0.0001258400000000, 0.0001568000000000, 0.0000625200000000 ] - [ -0.0002628700000000, 0.0009596500000000, 0.0004076800000000 ] - [ 0.0000397100000000, 0.0003579600000000, -0.0000834600000000 ] - [ 0.0000225600000000, 0.0003842900000000, 0.0003195200000000 ] - [ 0.0004156300000000, 0.0001509600000000, 0.0001970000000000 ]- atom: 26 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ 0.0001440500000000, 0.0001475600000000, 0.0000695100000000 ] - [ 0.0004298000000000, -0.0002102300000000, 0.0000012700000000 ] - [ -0.0006140600000000, -0.0002206900000000, 0.0003195500000000 ] - [ 0.0007465100000000, 0.0009174700000000, 0.0006636100000000 ] - [ -0.0000921400000000, 0.0000717700000000, 0.0003337800000000 ] - [ -0.0001961900000000, 0.0003689000000000, -0.0002270900000000 ] - [ -0.0000833400000000, -0.0002648300000000, 0.0015537700000000 ] - [ -0.0003531800000000, 0.0005194600000000, 0.0007441800000000 ] - [ -0.0016251300000000, -0.0004786600000000, -0.0012796400000000 ] - [ -0.0003825500000000, -0.0002608400000000, 0.0001398700000000 ] - [ 0.0003698800000000, -0.0002105000000000, 0.0003157800000000 ] - [ -0.0000045600000000, 0.0001171900000000, -0.0001862300000000 ] - [ -0.0000896000000000, 0.0003028600000000, 0.0003405600000000 ] - [ 0.0007399000000000, -0.0020984600000000, -0.0017145900000000 ] - [ -0.0000024500000000, 0.0000431500000000, -0.0000931600000000 ] - [ -0.0000062800000000, 0.0001124200000000, -0.0001009500000000 ] - [ -0.0006927200000000, 0.0013296500000000, -0.0082908000000000 ] - [ 0.0001536100000000, 0.0007268200000000, 0.0002514900000000 ] - [ 0.0000112000000000, 0.0003401800000000, 0.0000460700000000 ] - [ -0.0065904800000000, 0.0015622800000000, -0.0142741200000000 ] - [ 0.0003570400000000, 0.0005926300000000, -0.0001380200000000 ] - [ 0.0000811000000000, -0.0003377500000000, 0.0001974300000000 ] - [ 0.0000897600000000, -0.0003963500000000, -0.0002682200000000 ] - [ -0.0002697800000000, 0.0004777800000000, 0.0002748800000000 ] - [ -0.0006650000000000, -0.0003799600000000, -0.0005007600000000 ] - [ 0.0535866100000000, -0.0330538800000000, -0.1663421000000000 ] - [ -0.0015132200000000, -0.0008720800000000, -0.0025323200000000 ] - [ 0.0001555000000000, -0.0001180800000000, 0.0001682200000000 ] - [ -0.0002241900000000, 0.0005290100000000, 0.0000394200000000 ] - [ -0.0005975000000000, 0.0010463100000000, 0.0001331400000000 ] - [ -0.0000800500000000, 0.0004962800000000, -0.0002201700000000 ] - [ -0.0013558600000000, -0.0315971500000000, 0.0290537200000000 ] - [ -0.0018283700000000, 0.0003188600000000, -0.0017982700000000 ] - [ -0.0002453800000000, -0.0000001400000000, 0.0007360800000000 ] - [ 0.0001579600000000, -0.0003882000000000, -0.0006273900000000 ] - [ 0.0006572200000000, -0.0003982700000000, -0.0000090300000000 ] - [ 0.0000389700000000, 0.0001841600000000, -0.0004552100000000 ] - [ -0.0001783100000000, 0.0008387900000000, 0.0000383100000000 ] - [ -0.0004452000000000, -0.0007200000000000, 0.0003586800000000 ] - [ 0.0003951800000000, 0.0000283500000000, -0.0004753200000000 ] - [ -0.0017265000000000, 0.0008354000000000, 0.0013267200000000 ] - [ 0.0000855600000000, 0.0005415100000000, 0.0003533400000000 ] - [ 0.0025600400000000, 0.0000763700000000, 0.0012760500000000 ] - [ 0.0000759100000000, 0.0004807500000000, -0.0002564800000000 ] - [ -0.0001160300000000, -0.0000807100000000, 0.0001814300000000 ] - [ 0.0000513300000000, -0.0000987700000000, 0.0002304500000000 ] - [ -0.0003405900000000, -0.0004305600000000, -0.0002505200000000 ] - [ 0.0165598700000000, 0.0003469200000000, 0.0308472900000000 ] - [ 0.0004034000000000, -0.0007649400000000, 0.0010085500000000 ] - [ 0.0000609500000000, -0.0003237200000000, -0.0003060700000000 ] - [ -0.0025798900000000, -0.0020470700000000, 0.0046708800000000 ] - [ -0.0002315400000000, -0.0003378200000000, 0.0000694000000000 ] - [ 0.0004901800000000, -0.0005556400000000, 0.0008756700000000 ] - [ 0.0000371900000000, -0.0005202600000000, 0.0000226900000000 ] - [ -0.0003999400000000, 0.0066177700000000, 0.0001557400000000 ] - [ -0.0561670900000000, 0.0097044900000000, 0.0653514200000000 ] - [ -0.0014751100000000, -0.0005738200000000, 0.0022749700000000 ] - [ 0.0004053900000000, -0.0000721000000000, -0.0000399500000000 ] - [ 0.0000869000000000, -0.0000296200000000, 0.0000801000000000 ] - [ -0.0003080400000000, 0.0000499100000000, -0.0002976500000000 ] - [ 0.0001378500000000, -0.0001917100000000, -0.0002416700000000 ] - [ 0.0000791800000000, 0.0000690900000000, 0.0002013100000000 ] - [ 0.0005080100000000, -0.0008042900000000, 0.0003974400000000 ] - [ -0.0028120900000000, 0.0470510000000000, 0.0486497200000000 ] - [ 0.0001482800000000, -0.0001156500000000, -0.0000767000000000 ] - [ 0.0004457700000000, 0.0000398700000000, 0.0000148700000000 ] - [ 0.0001198300000000, 0.0001526300000000, -0.0001740300000000 ] - [ 0.0049849600000000, 0.0007888800000000, 0.0030784300000000 ] - [ -0.0005177300000000, 0.0002401500000000, 0.0005568800000000 ] - [ 0.0000824300000000, 0.0001001900000000, 0.0000160800000000 ] - [ -0.0010143900000000, -0.0005524500000000, 0.0010748400000000 ] - [ 0.0001789000000000, -0.0002533000000000, -0.0000303200000000 ] - [ -0.0000687700000000, 0.0002368900000000, 0.0000453900000000 ] - [ -0.0002095500000000, 0.0000754700000000, -0.0002172700000000 ] - [ 0.0004830100000000, -0.0013395700000000, -0.0000383700000000 ] - [ -0.0000523300000000, 0.0004106700000000, 0.0004853600000000 ] - [ -0.0002076300000000, 0.0001832300000000, 0.0002033600000000 ] - [ -0.0001262700000000, 0.0002765500000000, 0.0003747000000000 ] - [ -0.0000263200000000, -0.0004670500000000, 0.0003048800000000 ] - [ 0.0001903700000000, -0.0003573500000000, -0.0000517200000000 ] - [ 0.0001167100000000, -0.0002054200000000, 0.0000614300000000 ] - [ 0.0000089600000000, -0.0003048500000000, 0.0000405900000000 ] - [ -0.0003766200000000, 0.0000075400000000, 0.0002661300000000 ] - [ -0.0002766200000000, 0.0005499700000000, -0.0000956500000000 ] - [ -0.0004637800000000, 0.0038131100000000, 0.0000596100000000 ] - [ 0.0001864100000000, -0.0012006000000000, 0.0009761100000000 ] - [ -0.0000544600000000, -0.0002388900000000, 0.0000715900000000 ] - [ 0.0004457400000000, -0.0002610900000000, -0.0001201100000000 ] - [ -0.0001324400000000, -0.0001458300000000, -0.0002605200000000 ] - [ 0.0002028600000000, -0.0004218400000000, -0.0000949600000000 ] - [ -0.0000194700000000, 0.0003159200000000, 0.0001477200000000 ] - [ -0.0003180900000000, 0.0002727400000000, -0.0002677300000000 ] - [ 0.0000357800000000, 0.0000889600000000, -0.0000410400000000 ] - [ -0.0000455400000000, -0.0003816100000000, 0.0004474100000000 ] - [ 0.0004573300000000, 0.0004698400000000, 0.0004927900000000 ] - [ -0.0001436700000000, -0.0002227300000000, -0.0003828800000000 ] - [ 0.0003897500000000, 0.0004748000000000, -0.0000048500000000 ] - [ 0.0002839700000000, 0.0004509400000000, -0.0000589600000000 ] - [ 0.0000042600000000, 0.0002715400000000, 0.0000133200000000 ] - [ 0.0001167900000000, 0.0000410100000000, 0.0000568800000000 ] - [ -0.0000911200000000, -0.0000723600000000, -0.0001636600000000 ] - [ -0.0000659200000000, 0.0004961200000000, -0.0000221900000000 ] - [ -0.0002411400000000, -0.0013238300000000, 0.0002469400000000 ] - [ 0.0002060600000000, 0.0000993700000000, 0.0002388400000000 ]- atom: 26 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0003544600000000, -0.0004947200000000, 0.0002171700000000 ] - [ -0.0004943300000000, -0.0001139600000000, -0.0001245900000000 ] - [ 0.0005753800000000, -0.0000562300000000, -0.0000687500000000 ] - [ -0.0008227300000000, -0.0005966000000000, -0.0007874400000000 ] - [ -0.0001190400000000, 0.0002736400000000, -0.0000471500000000 ] - [ 0.0001865400000000, -0.0001777700000000, -0.0001710300000000 ] - [ 0.0000766900000000, 0.0000769700000000, -0.0019427200000000 ] - [ 0.0003152900000000, -0.0002422800000000, -0.0004903300000000 ] - [ 0.0014126100000000, 0.0001273900000000, 0.0015628100000000 ] - [ 0.0003174400000000, -0.0000598500000000, -0.0002634800000000 ] - [ -0.0004072300000000, -0.0000633000000000, -0.0000649300000000 ] - [ -0.0000616000000000, 0.0002045500000000, 0.0000637100000000 ] - [ -0.0001210200000000, 0.0000433300000000, -0.0000544300000000 ] - [ -0.0007422700000000, 0.0023094100000000, 0.0013085400000000 ] - [ -0.0000072000000000, -0.0002352100000000, -0.0003055300000000 ] - [ -0.0000298500000000, 0.0001621900000000, 0.0003529800000000 ] - [ 0.0008560900000000, -0.0010923400000000, 0.0079186600000000 ] - [ -0.0000835800000000, -0.0003824900000000, -0.0000014900000000 ] - [ 0.0001603700000000, -0.0005880400000000, -0.0003962900000000 ] - [ 0.0067381300000000, -0.0019376100000000, 0.0145966800000000 ] - [ -0.0001849600000000, -0.0003495600000000, -0.0002147500000000 ] - [ -0.0000113500000000, 0.0006835600000000, 0.0000516400000000 ] - [ 0.0000814600000000, 0.0001525100000000, -0.0000833200000000 ] - [ 0.0003392300000000, -0.0008270800000000, -0.0000272200000000 ] - [ -0.0001707300000000, -0.0010155900000000, 0.0003339000000000 ] - [ -0.0571925800000000, 0.0324973400000000, 0.1668720600000000 ] - [ 0.0013874500000000, 0.0006532700000000, 0.0017361100000000 ] - [ 0.0006046700000000, -0.0002867500000000, -0.0000155900000000 ] - [ 0.0000757700000000, -0.0003139500000000, -0.0008429900000000 ] - [ -0.0002358600000000, 0.0003323300000000, -0.0002994300000000 ] - [ -0.0004249800000000, 0.0001164800000000, -0.0000442100000000 ] - [ 0.0022255400000000, 0.0312563100000000, -0.0285806500000000 ] - [ 0.0010259500000000, -0.0016898600000000, 0.0016162200000000 ] - [ -0.0002599300000000, -0.0006135800000000, -0.0010041100000000 ] - [ -0.0003020300000000, 0.0001961900000000, -0.0001924200000000 ] - [ 0.0001016600000000, -0.0000055200000000, 0.0001602000000000 ] - [ -0.0001829000000000, 0.0000296400000000, -0.0003462600000000 ] - [ -0.0006565700000000, 0.0005464700000000, -0.0002055300000000 ] - [ -0.0000607600000000, 0.0013427600000000, -0.0006256700000000 ] - [ 0.0003654500000000, 0.0003768600000000, 0.0006292100000000 ] - [ 0.0018714100000000, -0.0008841700000000, -0.0015898700000000 ] - [ -0.0002845600000000, -0.0004486600000000, -0.0006643100000000 ] - [ -0.0021077900000000, -0.0001339900000000, -0.0009374300000000 ] - [ -0.0000775000000000, 0.0004011600000000, 0.0009101200000000 ] - [ -0.0002001900000000, 0.0001173400000000, 0.0003119300000000 ] - [ -0.0002129100000000, 0.0005693900000000, 0.0004681300000000 ] - [ -0.0000138400000000, -0.0003870600000000, 0.0005844500000000 ] - [ -0.0158090600000000, -0.0006729200000000, -0.0307044700000000 ] - [ -0.0002275000000000, 0.0003841500000000, -0.0011349100000000 ] - [ 0.0000794200000000, 0.0003743700000000, 0.0000348900000000 ] - [ 0.0021835800000000, 0.0019713800000000, -0.0040766400000000 ] - [ -0.0002013300000000, 0.0000697500000000, -0.0000391000000000 ] - [ -0.0004016500000000, 0.0006198900000000, -0.0008745400000000 ] - [ -0.0000366100000000, -0.0003618900000000, 0.0006231600000000 ] - [ 0.0004170800000000, -0.0071790200000000, -0.0001406700000000 ] - [ 0.0594207700000000, -0.0103985200000000, -0.0674541300000000 ] - [ 0.0008998200000000, 0.0002523400000000, -0.0027527500000000 ] - [ 0.0000565500000000, -0.0003557500000000, -0.0001946200000000 ] - [ 0.0002052200000000, 0.0003661600000000, -0.0000244500000000 ] - [ -0.0002918900000000, 0.0002701600000000, -0.0001931000000000 ] - [ -0.0000481100000000, 0.0001174100000000, 0.0002386300000000 ] - [ -0.0002833300000000, -0.0001585400000000, -0.0005173600000000 ] - [ -0.0000429000000000, 0.0012590900000000, -0.0006290000000000 ] - [ 0.0026310900000000, -0.0452518600000000, -0.0479366100000000 ] - [ 0.0002085800000000, 0.0001029000000000, -0.0000157500000000 ] - [ 0.0004086600000000, 0.0002627100000000, 0.0000293800000000 ] - [ 0.0000668800000000, 0.0002379500000000, 0.0000536600000000 ] - [ -0.0047681600000000, -0.0011399200000000, -0.0030328900000000 ] - [ 0.0001621100000000, 0.0005798300000000, -0.0002308400000000 ] - [ -0.0000667900000000, 0.0004257500000000, 0.0000098400000000 ] - [ 0.0008468400000000, 0.0000883400000000, -0.0003719900000000 ] - [ 0.0002931400000000, 0.0003235800000000, 0.0003779700000000 ] - [ 0.0002083900000000, -0.0002867400000000, -0.0003168700000000 ] - [ 0.0000083900000000, 0.0000108500000000, -0.0000976500000000 ] - [ -0.0000126600000000, 0.0012768300000000, 0.0003885700000000 ] - [ 0.0000531000000000, 0.0004716500000000, 0.0001605600000000 ] - [ -0.0001076800000000, -0.0001476900000000, 0.0002924800000000 ] - [ -0.0000361900000000, 0.0001904000000000, 0.0003270000000000 ] - [ -0.0003283200000000, -0.0003468700000000, 0.0000307800000000 ] - [ 0.0006659300000000, 0.0000561900000000, 0.0000966900000000 ] - [ 0.0000698400000000, -0.0001846500000000, -0.0001815900000000 ] - [ 0.0001311400000000, 0.0003512500000000, -0.0003079700000000 ] - [ 0.0000619600000000, -0.0000440600000000, 0.0002281400000000 ] - [ -0.0001537200000000, -0.0008280900000000, 0.0001334900000000 ] - [ 0.0005570000000000, -0.0037989800000000, -0.0000363400000000 ] - [ -0.0001899700000000, 0.0003105300000000, -0.0003297800000000 ] - [ 0.0000707400000000, -0.0002871000000000, -0.0000452900000000 ] - [ -0.0000900700000000, 0.0002753300000000, 0.0000279900000000 ] - [ -0.0004680700000000, -0.0001743600000000, -0.0002292400000000 ] - [ 0.0002602500000000, -0.0000084400000000, -0.0001360000000000 ] - [ 0.0003126000000000, 0.0000213100000000, -0.0000923800000000 ] - [ -0.0002821100000000, 0.0000463000000000, -0.0002208900000000 ] - [ 0.0000547200000000, -0.0001639800000000, 0.0000401600000000 ] - [ -0.0001558400000000, 0.0002940000000000, -0.0007612300000000 ] - [ 0.0000041600000000, -0.0000342700000000, -0.0007241200000000 ] - [ -0.0002888400000000, 0.0004919500000000, 0.0004148900000000 ] - [ -0.0000340200000000, -0.0004932100000000, -0.0000895700000000 ] - [ 0.0005716700000000, -0.0001497500000000, 0.0001033400000000 ] - [ 0.0001821700000000, 0.0001200700000000, -0.0001355500000000 ] - [ 0.0001750100000000, -0.0003772500000000, -0.0000007900000000 ] - [ -0.0002631300000000, 0.0008869200000000, 0.0004997600000000 ] - [ 0.0000817500000000, 0.0000277700000000, 0.0000500100000000 ] - [ 0.0000795300000000, 0.0008625800000000, 0.0004556900000000 ] - [ 0.0002655000000000, -0.0000287700000000, 0.0001093900000000 ]- atom: 27 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0005055200000000, 0.0003120300000000, -0.0003018800000000 ] - [ 0.0014061300000000, 0.0009976600000000, -0.0024559800000000 ] - [ 0.0020997000000000, -0.0016497700000000, 0.0028773500000000 ] - [ 0.0015265000000000, 0.0002674800000000, -0.0011971200000000 ] - [ 0.0000174400000000, 0.0000750700000000, 0.0001107900000000 ] - [ -0.0002151700000000, -0.0002145300000000, 0.0002275700000000 ] - [ 0.0001419400000000, -0.0001219900000000, -0.0001230100000000 ] - [ -0.0024177000000000, 0.0001901800000000, 0.0005454700000000 ] - [ -0.0002978700000000, 0.0000380800000000, 0.0001585000000000 ] - [ -0.0000600000000000, -0.0001753000000000, -0.0000767200000000 ] - [ 0.0000094100000000, -0.0001507600000000, 0.0001035000000000 ] - [ -0.0000442200000000, 0.0001686600000000, -0.0000602400000000 ] - [ -0.0001395900000000, 0.0001732800000000, 0.0001554600000000 ] - [ -0.0000417300000000, -0.0000638700000000, -0.0002057200000000 ] - [ 0.0000159000000000, -0.0001003400000000, -0.0001943000000000 ] - [ -0.0000081600000000, 0.0001449800000000, 0.0001221300000000 ] - [ -0.0002939300000000, 0.0157139700000000, 0.0054549200000000 ] - [ 0.0011619100000000, 0.0007573700000000, -0.0000450400000000 ] - [ -0.0007574800000000, 0.0001439700000000, -0.0003461900000000 ] - [ 0.0010657200000000, -0.0136175600000000, -0.0050759300000000 ] - [ 0.0001076500000000, 0.0000655800000000, -0.0001883500000000 ] - [ -0.0000126400000000, 0.0001614600000000, 0.0001449400000000 ] - [ 0.0001368000000000, 0.0000526900000000, -0.0001936000000000 ] - [ 0.0000741100000000, -0.0000905700000000, 0.0001686500000000 ] - [ -0.0007753600000000, -0.0007421300000000, -0.0000375500000000 ] - [ 0.0039761700000000, -0.0004430000000000, -0.0002149000000000 ] - [ -0.1760677400000000, 0.0020911000000000, -0.0009825600000000 ] - [ 0.0003166300000000, -0.0013386900000000, -0.0000461600000000 ] - [ -0.0012000200000000, -0.0009608200000000, 0.0008099700000000 ] - [ -0.0006025000000000, 0.0010671500000000, 0.0001017500000000 ] - [ -0.0002738100000000, 0.0001621500000000, -0.0002982500000000 ] - [ 0.0037070200000000, 0.0000925400000000, 0.0000675500000000 ] - [ -0.0008797100000000, -0.0005386700000000, -0.0005497600000000 ] - [ -0.0009401500000000, -0.0003695100000000, -0.0001232200000000 ] - [ -0.0000599700000000, -0.0001150900000000, -0.0004010900000000 ] - [ 0.0003837600000000, -0.0002121800000000, 0.0000123400000000 ] - [ -0.0000499000000000, 0.0001293600000000, -0.0003881200000000 ] - [ -0.0003590900000000, 0.0008012700000000, -0.0001999700000000 ] - [ -0.0001936200000000, 0.0001323300000000, 0.0000059900000000 ] - [ 0.0003700000000000, 0.0001494200000000, 0.0000602000000000 ] - [ 0.0001933600000000, 0.0000327800000000, -0.0001211200000000 ] - [ 0.0015124300000000, -0.0000417600000000, 0.0012987400000000 ] - [ 0.0744966800000000, -0.0187545300000000, 0.0341786600000000 ] - [ -0.0000075800000000, 0.0004613000000000, 0.0001281100000000 ] - [ 0.0004079700000000, 0.0006020900000000, 0.0003029500000000 ] - [ 0.0001363500000000, 0.0001589400000000, -0.0000045700000000 ] - [ -0.0005569600000000, 0.0001015500000000, -0.0002925900000000 ] - [ -0.0033414100000000, -0.0020153400000000, -0.0000054200000000 ] - [ -0.0019455700000000, -0.0013880200000000, 0.0002067700000000 ] - [ 0.0002334900000000, -0.0001419200000000, -0.0001238100000000 ] - [ -0.0032935600000000, -0.0011507600000000, -0.0013586500000000 ] - [ -0.0001991000000000, 0.0000126400000000, 0.0000523100000000 ] - [ 0.0156980600000000, -0.0009384800000000, 0.0003575100000000 ] - [ 0.0000881500000000, -0.0004317100000000, 0.0002886000000000 ] - [ 0.0000761500000000, -0.0002669200000000, 0.0000648800000000 ] - [ -0.0028733300000000, 0.0010921800000000, 0.0000156500000000 ] - [ -0.0034124700000000, 0.0007258000000000, 0.0013586500000000 ] - [ 0.0003845400000000, -0.0005499200000000, 0.0000099300000000 ] - [ -0.0000348400000000, 0.0000958000000000, 0.0000303300000000 ] - [ -0.0007164200000000, 0.0004603000000000, 0.0003054700000000 ] - [ 0.0000572500000000, 0.0001257200000000, -0.0003797300000000 ] - [ 0.0072228700000000, 0.0004889200000000, -0.0030241000000000 ] - [ 0.0001140300000000, 0.0001856100000000, -0.0001098800000000 ] - [ -0.0008833100000000, 0.0000770900000000, -0.0000676400000000 ] - [ 0.0001424200000000, -0.0000079800000000, -0.0000186400000000 ] - [ 0.0004521400000000, 0.0001820800000000, 0.0002657500000000 ] - [ 0.0001420900000000, 0.0001861300000000, -0.0002735600000000 ] - [ 0.0003041600000000, -0.0002182900000000, 0.0001119900000000 ] - [ 0.0030492100000000, -0.0000613600000000, 0.0007577000000000 ] - [ 0.0000007800000000, 0.0008587100000000, -0.0001153800000000 ] - [ 0.0766607700000000, 0.0165579200000000, -0.0321353500000000 ] - [ 0.0008795100000000, -0.0001757800000000, -0.0005356300000000 ] - [ 0.0001503700000000, 0.0000770400000000, -0.0001244100000000 ] - [ -0.0000695400000000, -0.0000022700000000, -0.0001977300000000 ] - [ 0.0002315800000000, -0.0000340100000000, 0.0001733700000000 ] - [ 0.0000449000000000, 0.0003801200000000, 0.0002506400000000 ] - [ -0.0002026100000000, 0.0000044900000000, 0.0002444500000000 ] - [ -0.0000914100000000, 0.0002396200000000, 0.0003405200000000 ] - [ -0.0001762000000000, -0.0004001200000000, 0.0001678400000000 ] - [ 0.0004258300000000, -0.0001601700000000, -0.0000229900000000 ] - [ 0.0001018600000000, -0.0001859500000000, -0.0000617900000000 ] - [ 0.0001669400000000, -0.0001458900000000, -0.0000130700000000 ] - [ -0.0001517800000000, -0.0000221500000000, 0.0002293700000000 ] - [ -0.0002336100000000, -0.0000077200000000, -0.0000152900000000 ] - [ 0.0000275100000000, 0.0000625400000000, -0.0000038500000000 ] - [ 0.0034653500000000, 0.0001981900000000, 0.0003099400000000 ] - [ 0.0000074400000000, -0.0002360900000000, 0.0000137900000000 ] - [ 0.0001563100000000, 0.0000589300000000, 0.0000189700000000 ] - [ -0.0003137200000000, -0.0001401600000000, -0.0002325900000000 ] - [ 0.0002065200000000, -0.0002318000000000, -0.0000485800000000 ] - [ 0.0001725900000000, 0.0001109500000000, -0.0000025400000000 ] - [ -0.0002724900000000, 0.0001615200000000, -0.0002318000000000 ] - [ 0.0000403700000000, -0.0000596600000000, -0.0000042500000000 ] - [ -0.0000817200000000, -0.0000268300000000, -0.0001616300000000 ] - [ 0.0002010500000000, 0.0003226700000000, 0.0001902200000000 ] - [ -0.0000118400000000, 0.0002353600000000, -0.0000465100000000 ] - [ 0.0002086300000000, 0.0000591600000000, -0.0000860900000000 ] - [ 0.0003432400000000, 0.0001999100000000, 0.0000377000000000 ] - [ 0.0001527700000000, 0.0000856200000000, 0.0000181300000000 ] - [ 0.0001990100000000, -0.0002379700000000, -0.0000382500000000 ] - [ -0.0001813500000000, 0.0003829700000000, 0.0001766900000000 ] - [ 0.0000140300000000, 0.0002883300000000, 0.0000226900000000 ] - [ -0.0000824500000000, -0.0002338500000000, 0.0003504600000000 ] - [ 0.0002436800000000, 0.0000114300000000, 0.0001572800000000 ]- atom: 27 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ 0.0003036000000000, -0.0006622400000000, 0.0005899100000000 ] - [ -0.0014843100000000, -0.0013337900000000, 0.0023623000000000 ] - [ -0.0021159200000000, 0.0013565800000000, -0.0025914500000000 ] - [ -0.0015945300000000, 0.0000530700000000, 0.0010788400000000 ] - [ -0.0002288500000000, 0.0002708400000000, 0.0001752500000000 ] - [ 0.0001971100000000, 0.0004043900000000, -0.0006228000000000 ] - [ -0.0001520400000000, -0.0000667300000000, -0.0002727000000000 ] - [ 0.0023803600000000, 0.0000856600000000, -0.0003260200000000 ] - [ 0.0000894200000000, -0.0003836100000000, 0.0001292500000000 ] - [ -0.0000054800000000, -0.0001449700000000, -0.0000465400000000 ] - [ -0.0000466000000000, -0.0001220100000000, 0.0001473800000000 ] - [ -0.0000219700000000, 0.0001542500000000, -0.0000623400000000 ] - [ -0.0000709700000000, 0.0001733400000000, 0.0001313700000000 ] - [ 0.0000291400000000, 0.0002566300000000, -0.0001924600000000 ] - [ -0.0000258700000000, -0.0000902400000000, -0.0002044100000000 ] - [ -0.0000282000000000, 0.0001303100000000, 0.0001291400000000 ] - [ 0.0004831000000000, -0.0153602200000000, -0.0057583100000000 ] - [ -0.0010947000000000, -0.0004142600000000, 0.0002886600000000 ] - [ 0.0009291800000000, -0.0003909000000000, -0.0000072500000000 ] - [ -0.0010262500000000, 0.0133537100000000, 0.0053619400000000 ] - [ 0.0000663700000000, 0.0001814000000000, -0.0001636100000000 ] - [ 0.0000817300000000, 0.0001865200000000, 0.0001043200000000 ] - [ 0.0000351900000000, -0.0002947500000000, -0.0001576000000000 ] - [ -0.0000072500000000, -0.0002542500000000, 0.0000800200000000 ] - [ -0.0000607300000000, -0.0006543200000000, -0.0001284200000000 ] - [ -0.0044803000000000, -0.0001516300000000, -0.0000686200000000 ] - [ 0.1756721600000000, -0.0056231200000000, 0.0036633800000000 ] - [ 0.0004386100000000, 0.0009381400000000, 0.0001926400000000 ] - [ 0.0010543200000000, 0.0011614800000000, -0.0016192000000000 ] - [ -0.0002317000000000, 0.0003223600000000, -0.0002689900000000 ] - [ -0.0002252000000000, 0.0004528400000000, 0.0000332700000000 ] - [ -0.0029436700000000, 0.0003212000000000, 0.0000799700000000 ] - [ 0.0000481800000000, -0.0008584300000000, 0.0003940400000000 ] - [ 0.0004354600000000, -0.0002450200000000, -0.0001307800000000 ] - [ -0.0000837300000000, -0.0000951500000000, -0.0004015600000000 ] - [ 0.0003750300000000, -0.0001915600000000, 0.0001376700000000 ] - [ -0.0000939400000000, 0.0000840300000000, -0.0004132600000000 ] - [ -0.0004764500000000, 0.0005876700000000, 0.0000323500000000 ] - [ -0.0003119200000000, 0.0004828700000000, -0.0002697400000000 ] - [ 0.0003898700000000, 0.0002550100000000, 0.0000868100000000 ] - [ -0.0000451900000000, -0.0000818200000000, -0.0001614700000000 ] - [ -0.0016995500000000, 0.0001322100000000, -0.0015957900000000 ] - [ -0.0768083100000000, 0.0202230500000000, -0.0354807300000000 ] - [ 0.0000080000000000, 0.0004227200000000, 0.0005198700000000 ] - [ -0.0007240800000000, -0.0005644200000000, 0.0002004500000000 ] - [ -0.0002961000000000, 0.0003100900000000, 0.0007065600000000 ] - [ 0.0002026600000000, -0.0009149400000000, 0.0006301500000000 ] - [ 0.0042053200000000, 0.0017080400000000, 0.0000567600000000 ] - [ 0.0021420100000000, 0.0009056300000000, -0.0003260500000000 ] - [ -0.0000943900000000, 0.0001942200000000, -0.0001475800000000 ] - [ 0.0029764900000000, 0.0010992700000000, 0.0018470100000000 ] - [ -0.0002357000000000, -0.0002807500000000, -0.0000196300000000 ] - [ -0.0156202700000000, 0.0013697800000000, -0.0003923500000000 ] - [ -0.0000879400000000, -0.0004531700000000, 0.0003572300000000 ] - [ -0.0000516600000000, -0.0002677800000000, -0.0000274300000000 ] - [ 0.0032180000000000, -0.0010797000000000, -0.0000977500000000 ] - [ 0.0028134900000000, -0.0010567400000000, -0.0018517500000000 ] - [ 0.0000764300000000, 0.0001142100000000, -0.0002392900000000 ] - [ 0.0003282300000000, 0.0002414600000000, 0.0000266400000000 ] - [ 0.0001152500000000, -0.0001381200000000, -0.0007920200000000 ] - [ 0.0000355300000000, -0.0001959500000000, 0.0003785000000000 ] - [ -0.0074069300000000, -0.0005925400000000, 0.0024331200000000 ] - [ 0.0003491500000000, 0.0002516000000000, -0.0001194800000000 ] - [ 0.0004511600000000, 0.0001886200000000, 0.0001075900000000 ] - [ 0.0002122300000000, -0.0000023800000000, -0.0000732600000000 ] - [ 0.0004008600000000, 0.0001221100000000, -0.0002199000000000 ] - [ 0.0000457800000000, 0.0002027200000000, 0.0001547100000000 ] - [ -0.0000133000000000, -0.0001262300000000, -0.0000613800000000 ] - [ -0.0034157200000000, 0.0008260800000000, -0.0004402500000000 ] - [ 0.0000179500000000, -0.0003367900000000, 0.0001432200000000 ] - [ -0.0737914400000000, -0.0156285800000000, 0.0312155600000000 ] - [ -0.0004140600000000, 0.0002517400000000, 0.0008707300000000 ] - [ -0.0000113300000000, -0.0001266400000000, -0.0001471300000000 ] - [ -0.0001326000000000, 0.0000870800000000, -0.0001179900000000 ] - [ 0.0002407300000000, -0.0000370200000000, 0.0001761500000000 ] - [ -0.0000443600000000, 0.0005038300000000, 0.0003963700000000 ] - [ -0.0001135700000000, 0.0000307100000000, 0.0002480700000000 ] - [ -0.0000718600000000, 0.0002251900000000, 0.0003618300000000 ] - [ -0.0001787500000000, -0.0004124700000000, 0.0001669500000000 ] - [ 0.0004272800000000, -0.0001450600000000, 0.0000682700000000 ] - [ 0.0000846400000000, -0.0002014000000000, -0.0000564600000000 ] - [ -0.0000280000000000, 0.0001960000000000, -0.0002579600000000 ] - [ -0.0001654900000000, -0.0000148500000000, 0.0002640300000000 ] - [ -0.0001996500000000, -0.0002602600000000, 0.0000459600000000 ] - [ 0.0000627400000000, 0.0000101400000000, 0.0000028100000000 ] - [ -0.0034693900000000, -0.0010406900000000, 0.0003272000000000 ] - [ 0.0000086100000000, -0.0002963500000000, 0.0000138500000000 ] - [ 0.0002027500000000, -0.0000492300000000, -0.0001107100000000 ] - [ -0.0002849600000000, -0.0001803400000000, -0.0002578700000000 ] - [ 0.0002565800000000, -0.0002000700000000, -0.0001817200000000 ] - [ 0.0001197100000000, 0.0002265700000000, 0.0000588600000000 ] - [ -0.0003264100000000, 0.0001570500000000, -0.0002590400000000 ] - [ 0.0000498300000000, -0.0000154200000000, 0.0000035100000000 ] - [ -0.0001203300000000, -0.0000576300000000, -0.0001537500000000 ] - [ 0.0002614000000000, 0.0001104600000000, -0.0004273600000000 ] - [ -0.0004212100000000, 0.0000498400000000, 0.0000715100000000 ] - [ 0.0001487000000000, -0.0000721300000000, -0.0000044100000000 ] - [ 0.0005113900000000, 0.0001023600000000, 0.0000085500000000 ] - [ 0.0000332900000000, 0.0003026500000000, -0.0001368600000000 ] - [ 0.0000930900000000, -0.0000976200000000, 0.0000947700000000 ] - [ -0.0001728300000000, 0.0004289700000000, 0.0001581200000000 ] - [ 0.0000015900000000, 0.0002336200000000, 0.0000057400000000 ] - [ -0.0000817200000000, -0.0002333500000000, 0.0003520800000000 ] - [ 0.0002280200000000, 0.0000573500000000, 0.0001922000000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017693200000000, 0.0013885900000000, 0.0014063900000000 ] - [ 0.0011649500000000, -0.0025924200000000, -0.0004040500000000 ] - [ -0.0015285400000000, -0.0027093000000000, -0.0001377800000000 ] - [ 0.0003663300000000, 0.0003402400000000, -0.0007582300000000 ] - [ -0.0002230500000000, 0.0003016500000000, 0.0000720100000000 ] - [ -0.0015092800000000, 0.0014938000000000, 0.0013862000000000 ] - [ -0.0000158600000000, 0.0002001300000000, 0.0000131600000000 ] - [ -0.0000339100000000, 0.0001437000000000, -0.0013743100000000 ] - [ 0.0000765300000000, 0.0000045900000000, 0.0001257200000000 ] - [ 0.0000720500000000, 0.0000879800000000, -0.0000836800000000 ] - [ -0.0001300800000000, 0.0001192900000000, 0.0000988600000000 ] - [ -0.0000532400000000, 0.0003738900000000, 0.0000481000000000 ] - [ -0.0001016800000000, 0.0002785700000000, 0.0000857300000000 ] - [ -0.0001778600000000, 0.0002796600000000, -0.0002659100000000 ] - [ -0.0000092700000000, 0.0001056800000000, -0.0003388400000000 ] - [ -0.0000021500000000, 0.0003023800000000, 0.0002174100000000 ] - [ 0.0028516600000000, 0.0055196100000000, 0.0001442400000000 ] - [ -0.0006208800000000, -0.0011779400000000, -0.0005600100000000 ] - [ 0.0008028200000000, -0.0010217500000000, -0.0002606600000000 ] - [ -0.0019727500000000, 0.0043958100000000, 0.0002645600000000 ] - [ 0.0002047200000000, 0.0007329100000000, -0.0003270400000000 ] - [ 0.0000087200000000, 0.0006897000000000, 0.0001274100000000 ] - [ 0.0001392500000000, 0.0002627200000000, -0.0001085700000000 ] - [ -0.0000792800000000, 0.0006155400000000, 0.0000621600000000 ] - [ -0.0006417000000000, -0.0009038300000000, 0.0000176900000000 ] - [ -0.0001925000000000, 0.0005675000000000, -0.0009277700000000 ] - [ 0.0037398900000000, -0.1842143800000000, 0.0207398800000000 ] - [ -0.0010196700000000, -0.0018382200000000, 0.0001875900000000 ] - [ 0.0009948000000000, 0.0009936100000000, -0.0016618600000000 ] - [ -0.0002149500000000, 0.0010605800000000, -0.0000128800000000 ] - [ 0.0008864900000000, 0.0003321200000000, -0.0001752300000000 ] - [ 0.0000801400000000, 0.0024759500000000, 0.0006487800000000 ] - [ -0.0003206500000000, -0.0008840900000000, 0.0005978500000000 ] - [ -0.0002412100000000, 0.0007319000000000, -0.0004362100000000 ] - [ -0.0000808800000000, 0.0001654600000000, -0.0004870200000000 ] - [ 0.0002881000000000, 0.0000265300000000, -0.0000930300000000 ] - [ -0.0000941100000000, 0.0003971900000000, -0.0003171700000000 ] - [ -0.0003473600000000, 0.0010086500000000, 0.0000362200000000 ] - [ -0.0001815900000000, 0.0004975200000000, -0.0001893500000000 ] - [ 0.0004043800000000, 0.0006182700000000, 0.0004903400000000 ] - [ 0.0004647900000000, 0.0002323400000000, -0.0006006300000000 ] - [ -0.0015663300000000, -0.0004843100000000, -0.0006555300000000 ] - [ -0.0255754800000000, 0.0247347100000000, -0.0125303400000000 ] - [ 0.0000270500000000, 0.0004828000000000, 0.0004119400000000 ] - [ 0.0003956500000000, 0.0005117900000000, 0.0008282300000000 ] - [ -0.0006364900000000, 0.0007536200000000, 0.0005667900000000 ] - [ -0.0003576100000000, -0.0007313300000000, 0.0001769500000000 ] - [ 0.0012344300000000, 0.0003797400000000, 0.0003810200000000 ] - [ 0.0002080900000000, 0.0002573500000000, -0.0001862800000000 ] - [ -0.0001691100000000, 0.0001098900000000, -0.0000519700000000 ] - [ -0.0001424100000000, -0.0008023300000000, -0.0002081000000000 ] - [ -0.0004313600000000, -0.0001886100000000, 0.0002122300000000 ] - [ -0.0015514500000000, 0.1120999200000000, -0.0060835500000000 ] - [ -0.0000393400000000, -0.0005602400000000, 0.0003817100000000 ] - [ -0.0001491600000000, -0.0017092000000000, -0.0011055800000000 ] - [ -0.0008011700000000, 0.0007655200000000, 0.0004651200000000 ] - [ 0.0001092000000000, -0.0009374700000000, -0.0009358100000000 ] - [ 0.0001396000000000, -0.0007162100000000, -0.0000171600000000 ] - [ 0.0001616000000000, 0.0001214400000000, 0.0001498600000000 ] - [ -0.0002073800000000, 0.0006201300000000, -0.0000011600000000 ] - [ 0.0000296300000000, 0.0002467400000000, 0.0000397000000000 ] - [ 0.0007333900000000, -0.0003603900000000, 0.0028554100000000 ] - [ 0.0001123600000000, -0.0001994000000000, -0.0000201200000000 ] - [ -0.0001608300000000, -0.0003014400000000, 0.0001449600000000 ] - [ 0.0001457100000000, 0.0006188400000000, -0.0002984800000000 ] - [ 0.0004053400000000, 0.0003406200000000, 0.0000516200000000 ] - [ 0.0003449400000000, 0.0002066000000000, 0.0003491200000000 ] - [ 0.0001131600000000, -0.0002702500000000, -0.0000986900000000 ] - [ -0.0004643400000000, 0.0124389600000000, 0.0050603900000000 ] - [ 0.0001762700000000, 0.0018067700000000, -0.0008371900000000 ] - [ 0.0223675900000000, 0.0211233700000000, -0.0083540800000000 ] - [ 0.0003501700000000, 0.0003773400000000, 0.0011657100000000 ] - [ -0.0000127500000000, -0.0001390100000000, -0.0000285600000000 ] - [ -0.0000780100000000, 0.0000991200000000, -0.0001546100000000 ] - [ 0.0003239900000000, -0.0002873800000000, 0.0001963400000000 ] - [ -0.0000426500000000, 0.0006361400000000, 0.0000707000000000 ] - [ -0.0001720800000000, -0.0001128200000000, 0.0002454300000000 ] - [ -0.0000331600000000, 0.0000033400000000, 0.0003361200000000 ] - [ -0.0002421500000000, -0.0004798100000000, 0.0001209500000000 ] - [ 0.0002246000000000, -0.0007195300000000, -0.0001709500000000 ] - [ 0.0001273200000000, -0.0001601400000000, -0.0000548400000000 ] - [ -0.0000169900000000, -0.0001438200000000, -0.0002309400000000 ] - [ -0.0001904900000000, -0.0002856600000000, 0.0002785700000000 ] - [ -0.0002099300000000, -0.0003698200000000, 0.0000678400000000 ] - [ 0.0000422500000000, -0.0001728200000000, -0.0000499800000000 ] - [ -0.0000883400000000, -0.0005222500000000, 0.0002106300000000 ] - [ 0.0000388000000000, -0.0008128300000000, -0.0002179700000000 ] - [ 0.0004168800000000, -0.0005656000000000, -0.0002012200000000 ] - [ -0.0002970400000000, -0.0004220500000000, -0.0001978700000000 ] - [ 0.0002396000000000, -0.0001680000000000, -0.0001845500000000 ] - [ 0.0000661000000000, -0.0000177600000000, 0.0000514900000000 ] - [ -0.0002494200000000, 0.0000386900000000, -0.0002363900000000 ] - [ 0.0000436300000000, -0.0002980000000000, 0.0000213400000000 ] - [ -0.0001218700000000, -0.0001116100000000, -0.0000734300000000 ] - [ 0.0001494700000000, -0.0000067500000000, -0.0005006400000000 ] - [ 0.0000922500000000, 0.0035864100000000, 0.0008804500000000 ] - [ 0.0001752500000000, -0.0001384000000000, -0.0000450800000000 ] - [ 0.0004485100000000, 0.0000331900000000, 0.0000235400000000 ] - [ 0.0000235400000000, 0.0000992000000000, -0.0000846300000000 ] - [ 0.0000298200000000, -0.0003757900000000, 0.0000327600000000 ] - [ -0.0000631700000000, 0.0003544500000000, 0.0001765200000000 ] - [ 0.0000252500000000, -0.0000066900000000, 0.0001344000000000 ] - [ -0.0001792100000000, -0.0004820900000000, 0.0003477300000000 ] - [ 0.0002057700000000, -0.0001890400000000, 0.0001300500000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020060300000000, -0.0017668100000000, -0.0011341200000000 ] - [ -0.0012386700000000, 0.0023011200000000, 0.0002912400000000 ] - [ 0.0015010200000000, 0.0024670600000000, 0.0003969100000000 ] - [ -0.0004376900000000, -0.0000139800000000, 0.0006438500000000 ] - [ 0.0000101400000000, 0.0000435500000000, 0.0002095800000000 ] - [ 0.0015205300000000, -0.0013290200000000, -0.0018028800000000 ] - [ 0.0000070700000000, -0.0003931200000000, -0.0004142000000000 ] - [ -0.0000009300000000, 0.0001355400000000, 0.0016335400000000 ] - [ -0.0002896900000000, -0.0003556600000000, 0.0001627000000000 ] - [ -0.0001396700000000, -0.0004137700000000, -0.0000394700000000 ] - [ 0.0000955000000000, -0.0003978400000000, 0.0001522500000000 ] - [ -0.0000121400000000, -0.0000562800000000, -0.0001724300000000 ] - [ -0.0001088300000000, 0.0000653500000000, 0.0002014000000000 ] - [ 0.0001700600000000, -0.0000919900000000, -0.0001301200000000 ] - [ -0.0000004500000000, -0.0003014800000000, -0.0000568200000000 ] - [ -0.0000347600000000, -0.0000317000000000, 0.0000324300000000 ] - [ -0.0026629700000000, -0.0052556200000000, -0.0004884300000000 ] - [ 0.0007002200000000, 0.0015320100000000, 0.0008132900000000 ] - [ -0.0006409900000000, 0.0007832300000000, -0.0000934200000000 ] - [ 0.0020334100000000, -0.0047286700000000, -0.0000059900000000 ] - [ -0.0000336800000000, -0.0004973000000000, -0.0000222400000000 ] - [ 0.0000624100000000, -0.0003529000000000, 0.0001213600000000 ] - [ 0.0000306900000000, -0.0005141600000000, -0.0002442600000000 ] - [ 0.0001494300000000, -0.0009737700000000, 0.0001880400000000 ] - [ -0.0001904100000000, -0.0004878300000000, -0.0001849400000000 ] - [ -0.0003168000000000, -0.0011825100000000, 0.0006431300000000 ] - [ -0.0038415200000000, 0.1901060400000000, -0.0217620700000000 ] - [ 0.0018000300000000, 0.0014517700000000, -0.0000443800000000 ] - [ -0.0011366900000000, -0.0007781600000000, 0.0008581100000000 ] - [ -0.0006223500000000, 0.0003270500000000, -0.0001558300000000 ] - [ -0.0014107400000000, 0.0002799600000000, -0.0000822200000000 ] - [ 0.0006810000000000, -0.0020574900000000, -0.0004750300000000 ] - [ -0.0005094100000000, -0.0005145200000000, -0.0007637200000000 ] - [ -0.0002640300000000, -0.0013788100000000, 0.0001732200000000 ] - [ -0.0000624500000000, -0.0003823600000000, -0.0003135800000000 ] - [ 0.0004729600000000, -0.0004359300000000, 0.0002492700000000 ] - [ -0.0000493200000000, -0.0001906200000000, -0.0004866600000000 ] - [ -0.0004884800000000, 0.0003735200000000, -0.0002052400000000 ] - [ -0.0003260700000000, 0.0001145400000000, -0.0000769600000000 ] - [ 0.0003552000000000, -0.0002247400000000, -0.0003486200000000 ] - [ -0.0003236000000000, -0.0002676800000000, 0.0003269500000000 ] - [ 0.0013755100000000, 0.0005754800000000, 0.0003686200000000 ] - [ 0.0255469100000000, -0.0248242800000000, 0.0126004900000000 ] - [ -0.0000251100000000, 0.0003999800000000, 0.0002296600000000 ] - [ -0.0007256200000000, -0.0004791600000000, -0.0003175200000000 ] - [ 0.0004784400000000, -0.0002946700000000, 0.0001348900000000 ] - [ 0.0000050000000000, -0.0000837800000000, 0.0001624400000000 ] - [ -0.0003679400000000, -0.0006740200000000, -0.0003386000000000 ] - [ -0.0000229000000000, -0.0006542300000000, 0.0000596100000000 ] - [ 0.0003112600000000, -0.0000569000000000, -0.0002192500000000 ] - [ -0.0001649400000000, 0.0007619900000000, 0.0007049300000000 ] - [ 0.0000011100000000, -0.0000774300000000, -0.0001841700000000 ] - [ 0.0017681000000000, -0.1179707400000000, 0.0067758900000000 ] - [ 0.0000405500000000, -0.0003218800000000, 0.0002639400000000 ] - [ 0.0001649400000000, 0.0011723700000000, 0.0011272000000000 ] - [ 0.0011482300000000, -0.0007490500000000, -0.0005594300000000 ] - [ -0.0007188400000000, 0.0006129100000000, 0.0004480200000000 ] - [ 0.0003234700000000, 0.0002895700000000, -0.0002135900000000 ] - [ 0.0001304800000000, 0.0002183200000000, -0.0000949300000000 ] - [ -0.0003953400000000, -0.0003030700000000, -0.0004847600000000 ] - [ 0.0000613500000000, -0.0003293900000000, -0.0000391000000000 ] - [ -0.0009366800000000, 0.0000747300000000, -0.0032281400000000 ] - [ 0.0003526700000000, 0.0006396100000000, -0.0002115700000000 ] - [ -0.0002708000000000, 0.0005704800000000, -0.0001090100000000 ] - [ 0.0002203900000000, -0.0006329900000000, 0.0001890200000000 ] - [ 0.0004513100000000, -0.0000398400000000, -0.0000062100000000 ] - [ -0.0001616400000000, 0.0001833700000000, -0.0004727800000000 ] - [ 0.0001770000000000, -0.0000586500000000, 0.0001565000000000 ] - [ 0.0001097400000000, -0.0115052900000000, -0.0046988200000000 ] - [ -0.0001603700000000, -0.0012985200000000, 0.0008692600000000 ] - [ -0.0221959300000000, -0.0216845100000000, 0.0088883000000000 ] - [ 0.0001085800000000, -0.0003117700000000, -0.0008317000000000 ] - [ 0.0001524000000000, 0.0000921000000000, -0.0002448100000000 ] - [ -0.0001244500000000, -0.0000145500000000, -0.0001594400000000 ] - [ 0.0001470000000000, 0.0002211000000000, 0.0001519600000000 ] - [ 0.0000435200000000, 0.0002450200000000, 0.0005781700000000 ] - [ -0.0001426600000000, 0.0001515300000000, 0.0002474700000000 ] - [ -0.0001314800000000, 0.0004672800000000, 0.0003660900000000 ] - [ -0.0001114500000000, -0.0003319600000000, 0.0002149700000000 ] - [ 0.0006322600000000, 0.0004242500000000, 0.0002177000000000 ] - [ 0.0000591400000000, -0.0002286700000000, -0.0000651600000000 ] - [ 0.0001561900000000, 0.0001961600000000, -0.0000383400000000 ] - [ -0.0001254300000000, 0.0002532600000000, 0.0002152400000000 ] - [ -0.0002227000000000, 0.0001047000000000, -0.0000367000000000 ] - [ 0.0000485100000000, 0.0002517900000000, 0.0000501400000000 ] - [ 0.0000879500000000, -0.0003484400000000, 0.0004353700000000 ] - [ -0.0000223100000000, 0.0002896200000000, 0.0002476800000000 ] - [ -0.0000621200000000, 0.0005845800000000, 0.0001101400000000 ] - [ -0.0003025600000000, 0.0001063700000000, -0.0002926600000000 ] - [ 0.0002229200000000, -0.0002624800000000, -0.0000459100000000 ] - [ 0.0002275300000000, 0.0003565200000000, 0.0000050400000000 ] - [ -0.0003511200000000, 0.0002828800000000, -0.0002546700000000 ] - [ 0.0000469700000000, 0.0002268100000000, -0.0000221500000000 ] - [ -0.0000795100000000, 0.0000264100000000, -0.0002423300000000 ] - [ 0.0003137100000000, 0.0004458400000000, 0.0002736700000000 ] - [ -0.0005279800000000, -0.0033051500000000, -0.0008646900000000 ] - [ 0.0001816600000000, 0.0001277100000000, -0.0000458000000000 ] - [ 0.0004066900000000, 0.0002705400000000, 0.0000223200000000 ] - [ 0.0001628500000000, 0.0002899500000000, -0.0000329500000000 ] - [ 0.0002629000000000, 0.0000442900000000, 0.0000235800000000 ] - [ -0.0002930500000000, 0.0004596000000000, 0.0001587700000000 ] - [ -0.0000095600000000, 0.0005349100000000, -0.0001094600000000 ] - [ 0.0000167900000000, 0.0000194600000000, 0.0003543700000000 ] - [ 0.0002671900000000, 0.0002638900000000, 0.0002195800000000 ]- atom: 27 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0006878400000000, -0.0003328300000000, 0.0002345100000000 ] - [ -0.0027746000000000, -0.0007821700000000, 0.0000218200000000 ] - [ 0.0016677400000000, 0.0003470700000000, -0.0015781200000000 ] - [ -0.0004792300000000, 0.0004192400000000, 0.0007799700000000 ] - [ 0.0000579800000000, 0.0004020000000000, 0.0005876700000000 ] - [ 0.0008209400000000, 0.0000127000000000, -0.0007112900000000 ] - [ -0.0000581800000000, -0.0002622800000000, -0.0004527900000000 ] - [ 0.0009290500000000, -0.0001958000000000, 0.0016361000000000 ] - [ 0.0000478700000000, -0.0004455900000000, -0.0000835000000000 ] - [ -0.0000436700000000, -0.0001789900000000, -0.0000404300000000 ] - [ -0.0000107100000000, -0.0001670200000000, 0.0001552200000000 ] - [ -0.0000136500000000, 0.0000913100000000, -0.0000711300000000 ] - [ -0.0000829700000000, 0.0001116300000000, 0.0001289600000000 ] - [ -0.0000453000000000, -0.0001469700000000, -0.0002353600000000 ] - [ -0.0000103700000000, -0.0001753100000000, -0.0001642600000000 ] - [ -0.0000352300000000, 0.0000736000000000, 0.0001197200000000 ] - [ 0.0036212100000000, -0.0116047900000000, -0.0078365600000000 ] - [ -0.0003528100000000, -0.0004333400000000, 0.0004877600000000 ] - [ 0.0005883400000000, -0.0001194500000000, 0.0001913700000000 ] - [ -0.0032326700000000, -0.0030156800000000, -0.0043433300000000 ] - [ 0.0000323400000000, 0.0000227800000000, -0.0001126300000000 ] - [ 0.0000124800000000, 0.0000498500000000, 0.0001574300000000 ] - [ 0.0000070200000000, -0.0003566500000000, -0.0000873500000000 ] - [ 0.0000676800000000, -0.0003393800000000, 0.0001373000000000 ] - [ -0.0002411600000000, -0.0005771200000000, -0.0000221700000000 ] - [ -0.0015069300000000, -0.0010686800000000, -0.0022114200000000 ] - [ 0.0549570800000000, 0.0177455900000000, -0.1449924200000000 ] - [ 0.0000441500000000, -0.0012739300000000, 0.0006750400000000 ] - [ 0.0014488700000000, 0.0016406700000000, -0.0006608300000000 ] - [ -0.0002412900000000, 0.0006565700000000, -0.0000615100000000 ] - [ -0.0004670500000000, 0.0005982700000000, 0.0002871800000000 ] - [ -0.0007243300000000, -0.0009407600000000, -0.0018280400000000 ] - [ -0.0012942000000000, -0.0000135100000000, -0.0014187200000000 ] - [ -0.0000168900000000, -0.0015179300000000, -0.0003499100000000 ] - [ -0.0000756000000000, -0.0001843900000000, -0.0003532500000000 ] - [ 0.0003896400000000, -0.0002747200000000, 0.0002025800000000 ] - [ -0.0000670800000000, 0.0000187300000000, -0.0003967700000000 ] - [ -0.0004169100000000, 0.0005444000000000, 0.0000423700000000 ] - [ -0.0001437900000000, 0.0002015800000000, -0.0001864700000000 ] - [ 0.0003635700000000, 0.0001806200000000, -0.0001574800000000 ] - [ -0.0006728700000000, -0.0023316600000000, 0.0014314500000000 ] - [ -0.0010806600000000, 0.0003230000000000, -0.0000645100000000 ] - [ 0.0064277500000000, -0.0029197000000000, 0.0169174700000000 ] - [ -0.0001478600000000, 0.0004326200000000, 0.0004079400000000 ] - [ 0.0000147700000000, 0.0004687200000000, -0.0003712900000000 ] - [ -0.0004616700000000, -0.0000156100000000, 0.0003465000000000 ] - [ -0.0000679300000000, -0.0006885000000000, 0.0001346600000000 ] - [ 0.0026074200000000, 0.0015831500000000, 0.0002823900000000 ] - [ 0.0004271700000000, -0.0008546100000000, 0.0013700500000000 ] - [ 0.0000285900000000, 0.0000968200000000, -0.0001921300000000 ] - [ 0.0005898300000000, 0.0014135700000000, 0.0024317000000000 ] - [ -0.0001490600000000, -0.0000706000000000, -0.0001586100000000 ] - [ -0.0047538200000000, -0.0054243000000000, 0.0151045900000000 ] - [ -0.0000162700000000, -0.0004136400000000, 0.0004161500000000 ] - [ 0.0002673300000000, 0.0005091600000000, 0.0006084400000000 ] - [ -0.0000140700000000, 0.0010579500000000, 0.0001261300000000 ] - [ 0.0009418900000000, 0.0006234300000000, 0.0010584500000000 ] - [ 0.0002656400000000, 0.0000536900000000, -0.0002803000000000 ] - [ 0.0002037200000000, 0.0002374900000000, -0.0000359800000000 ] - [ -0.0000682200000000, 0.0002165900000000, -0.0006808400000000 ] - [ -0.0001950000000000, -0.0005049500000000, 0.0001058600000000 ] - [ -0.0049169100000000, 0.0049445700000000, 0.0829720800000000 ] - [ 0.0002869900000000, 0.0005235700000000, -0.0000838500000000 ] - [ 0.0000431300000000, 0.0006907800000000, 0.0006103300000000 ] - [ 0.0003805500000000, -0.0001229200000000, -0.0003206400000000 ] - [ 0.0005438900000000, 0.0001133500000000, -0.0002457200000000 ] - [ 0.0000729400000000, 0.0001865100000000, 0.0000253300000000 ] - [ 0.0003867500000000, -0.0007738100000000, 0.0005279100000000 ] - [ 0.0003506900000000, 0.0095362600000000, 0.0014356500000000 ] - [ -0.0004369000000000, 0.0006438900000000, -0.0001275900000000 ] - [ -0.0529419600000000, -0.0113269200000000, 0.0372848100000000 ] - [ 0.0001836000000000, -0.0001759300000000, 0.0014064300000000 ] - [ 0.0000747000000000, -0.0001157200000000, -0.0002142500000000 ] - [ -0.0001252700000000, 0.0000364000000000, -0.0001477600000000 ] - [ 0.0001981600000000, 0.0000712500000000, 0.0001777800000000 ] - [ -0.0000906700000000, 0.0004921200000000, 0.0003573600000000 ] - [ -0.0001408700000000, 0.0000695300000000, 0.0002108600000000 ] - [ -0.0000834000000000, 0.0002971300000000, 0.0003399000000000 ] - [ -0.0001699700000000, -0.0003682500000000, 0.0001617800000000 ] - [ 0.0005016800000000, -0.0000258100000000, 0.0000384200000000 ] - [ 0.0000865800000000, -0.0002321600000000, -0.0001101000000000 ] - [ -0.0000172400000000, 0.0001248800000000, -0.0002835200000000 ] - [ -0.0001381500000000, 0.0000698000000000, 0.0002613800000000 ] - [ -0.0002786000000000, -0.0000806600000000, 0.0000491500000000 ] - [ 0.0000495000000000, 0.0000122500000000, 0.0000197700000000 ] - [ -0.0007905700000000, 0.0000642900000000, 0.0003627900000000 ] - [ 0.0000365900000000, -0.0001940800000000, 0.0000229300000000 ] - [ 0.0001179000000000, 0.0000948500000000, -0.0001183900000000 ] - [ -0.0003158800000000, -0.0000855100000000, -0.0002445000000000 ] - [ 0.0002087700000000, -0.0001740200000000, -0.0001953900000000 ] - [ 0.0001828500000000, 0.0001658900000000, 0.0000681900000000 ] - [ -0.0003357100000000, 0.0001871400000000, -0.0002869200000000 ] - [ 0.0000484400000000, 0.0000170400000000, -0.0000290100000000 ] - [ -0.0001099200000000, -0.0000473600000000, -0.0001921900000000 ] - [ 0.0004315300000000, 0.0001072300000000, 0.0003609500000000 ] - [ -0.0004031500000000, 0.0017196600000000, -0.0009487900000000 ] - [ 0.0001928200000000, 0.0000578400000000, -0.0000291600000000 ] - [ 0.0004398800000000, 0.0001924000000000, -0.0000548900000000 ] - [ 0.0001358700000000, 0.0002537900000000, -0.0001702500000000 ] - [ 0.0001451000000000, -0.0001892700000000, 0.0000133800000000 ] - [ -0.0001987200000000, 0.0004401900000000, 0.0001737500000000 ] - [ -0.0000019600000000, 0.0003406900000000, -0.0000474000000000 ] - [ -0.0000447500000000, -0.0001286400000000, 0.0003554200000000 ] - [ 0.0002614900000000, 0.0000858600000000, 0.0001666000000000 ]- atom: 27 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ 0.0004761500000000, -0.0000101200000000, 0.0000547500000000 ] - [ 0.0026882200000000, 0.0004495200000000, -0.0001399300000000 ] - [ -0.0017065400000000, -0.0006337200000000, 0.0018229400000000 ] - [ 0.0004096600000000, -0.0000974600000000, -0.0008960500000000 ] - [ -0.0002669300000000, -0.0000535500000000, -0.0002946500000000 ] - [ -0.0008262700000000, 0.0001749600000000, 0.0003145700000000 ] - [ 0.0000490800000000, 0.0000717700000000, 0.0000568000000000 ] - [ -0.0009680500000000, 0.0004762300000000, -0.0013924800000000 ] - [ -0.0002573000000000, 0.0000989100000000, 0.0003667400000000 ] - [ -0.0000221700000000, -0.0001413700000000, -0.0000819800000000 ] - [ -0.0000259400000000, -0.0001068000000000, 0.0000967500000000 ] - [ -0.0000524200000000, 0.0002303200000000, -0.0000515000000000 ] - [ -0.0001280200000000, 0.0002346300000000, 0.0001577800000000 ] - [ 0.0000348100000000, 0.0003369900000000, -0.0001633500000000 ] - [ 0.0000009000000000, -0.0000162000000000, -0.0002325100000000 ] - [ -0.0000010200000000, 0.0002010100000000, 0.0001318900000000 ] - [ -0.0034349500000000, 0.0118942700000000, 0.0074550000000000 ] - [ 0.0004276400000000, 0.0007789300000000, -0.0002390200000000 ] - [ -0.0004260000000000, -0.0001249600000000, -0.0005472400000000 ] - [ 0.0032881000000000, 0.0026404000000000, 0.0045296700000000 ] - [ 0.0001390200000000, 0.0002238400000000, -0.0002381700000000 ] - [ 0.0000571000000000, 0.0002946800000000, 0.0000932100000000 ] - [ 0.0001637800000000, 0.0001127700000000, -0.0002625500000000 ] - [ 0.0000023400000000, -0.0000053300000000, 0.0001126600000000 ] - [ -0.0005948600000000, -0.0008106900000000, -0.0001440900000000 ] - [ 0.0010060400000000, 0.0004586500000000, 0.0019218800000000 ] - [ -0.0570381000000000, -0.0198938100000000, 0.1405919400000000 ] - [ 0.0007236300000000, 0.0008860300000000, -0.0005329200000000 ] - [ -0.0015875900000000, -0.0014384800000000, -0.0001452800000000 ] - [ -0.0005935000000000, 0.0007300800000000, -0.0001036100000000 ] - [ -0.0000391500000000, 0.0000131200000000, -0.0005512100000000 ] - [ 0.0014930000000000, 0.0013408100000000, 0.0019594300000000 ] - [ 0.0004372700000000, -0.0013622300000000, 0.0012286800000000 ] - [ -0.0004897600000000, 0.0008947600000000, 0.0000801500000000 ] - [ -0.0000681700000000, -0.0000273600000000, -0.0004482500000000 ] - [ 0.0003700100000000, -0.0001290100000000, -0.0000509100000000 ] - [ -0.0000766500000000, 0.0001942600000000, -0.0004044800000000 ] - [ -0.0004184800000000, 0.0008424300000000, -0.0002107200000000 ] - [ -0.0003604700000000, 0.0004105200000000, -0.0000761500000000 ] - [ 0.0003962500000000, 0.0002214900000000, 0.0003087400000000 ] - [ 0.0008096900000000, 0.0022403600000000, -0.0016821200000000 ] - [ 0.0008905500000000, -0.0002364100000000, -0.0002170900000000 ] - [ -0.0057099700000000, 0.0027971300000000, -0.0163112300000000 ] - [ 0.0001475600000000, 0.0004493200000000, 0.0002397900000000 ] - [ -0.0003400900000000, -0.0004379600000000, 0.0008849300000000 ] - [ 0.0003039400000000, 0.0004829700000000, 0.0003544200000000 ] - [ -0.0002847700000000, -0.0001222800000000, 0.0002015800000000 ] - [ -0.0017460000000000, -0.0018786600000000, -0.0002283600000000 ] - [ -0.0002407400000000, 0.0004564100000000, -0.0014914200000000 ] - [ 0.0001121000000000, -0.0000456900000000, -0.0000792900000000 ] - [ -0.0009078800000000, -0.0014611700000000, -0.0019257100000000 ] - [ -0.0002846800000000, -0.0001968300000000, 0.0001906800000000 ] - [ 0.0048624800000000, 0.0058820700000000, -0.0151025000000000 ] - [ 0.0000163700000000, -0.0004697800000000, 0.0002314100000000 ] - [ -0.0002497400000000, -0.0010308500000000, -0.0005682600000000 ] - [ 0.0003544000000000, -0.0010360100000000, -0.0002108300000000 ] - [ -0.0015447000000000, -0.0009483000000000, -0.0015313500000000 ] - [ 0.0001978800000000, -0.0004849800000000, 0.0000468500000000 ] - [ 0.0000889400000000, 0.0000995600000000, 0.0000920000000000 ] - [ -0.0005345800000000, 0.0001052700000000, 0.0001937700000000 ] - [ 0.0002852600000000, 0.0004314300000000, -0.0001089400000000 ] - [ 0.0046871100000000, -0.0042477400000000, -0.0794548500000000 ] - [ 0.0001750200000000, -0.0000903600000000, -0.0001448500000000 ] - [ -0.0004756900000000, -0.0004200800000000, -0.0005699100000000 ] - [ -0.0000251700000000, 0.0001122300000000, 0.0002253100000000 ] - [ 0.0003093700000000, 0.0001901600000000, 0.0002923500000000 ] - [ 0.0001145000000000, 0.0002017900000000, -0.0001453800000000 ] - [ -0.0000927600000000, 0.0004310200000000, -0.0004663200000000 ] - [ -0.0006782600000000, -0.0086831300000000, -0.0011002000000000 ] - [ 0.0004544600000000, -0.0001316100000000, 0.0001633800000000 ] - [ 0.0544883400000000, 0.0116437000000000, -0.0370480300000000 ] - [ 0.0002801500000000, 0.0002564800000000, -0.0010769700000000 ] - [ 0.0000646500000000, 0.0000645800000000, -0.0000571100000000 ] - [ -0.0000765200000000, 0.0000486900000000, -0.0001677800000000 ] - [ 0.0002736400000000, -0.0001420200000000, 0.0001717300000000 ] - [ 0.0000914700000000, 0.0003906400000000, 0.0002894400000000 ] - [ -0.0001751600000000, -0.0000334200000000, 0.0002820400000000 ] - [ -0.0000798200000000, 0.0001691800000000, 0.0003629500000000 ] - [ -0.0001841000000000, -0.0004443600000000, 0.0001739700000000 ] - [ 0.0003537000000000, -0.0002773400000000, 0.0000074200000000 ] - [ 0.0000998000000000, -0.0001567000000000, -0.0000090700000000 ] - [ 0.0001570600000000, -0.0000742900000000, 0.0000124400000000 ] - [ -0.0001777900000000, -0.0001057600000000, 0.0002322500000000 ] - [ -0.0001550800000000, -0.0001857300000000, -0.0000192500000000 ] - [ 0.0000407900000000, 0.0000617800000000, -0.0000204700000000 ] - [ 0.0007981800000000, -0.0009359900000000, 0.0002816200000000 ] - [ -0.0000201300000000, -0.0003311700000000, 0.0000044900000000 ] - [ 0.0002389700000000, -0.0000819200000000, 0.0000274200000000 ] - [ -0.0002840000000000, -0.0002339300000000, -0.0002459300000000 ] - [ 0.0002543700000000, -0.0002564700000000, -0.0000341800000000 ] - [ 0.0001102000000000, 0.0001725500000000, -0.0000118100000000 ] - [ -0.0002639100000000, 0.0001322700000000, -0.0002038300000000 ] - [ 0.0000417800000000, -0.0000919500000000, 0.0000283300000000 ] - [ -0.0000919600000000, -0.0000379500000000, -0.0001229900000000 ] - [ 0.0000359300000000, 0.0003205500000000, -0.0005842300000000 ] - [ -0.0000273600000000, -0.0014178900000000, 0.0009741100000000 ] - [ 0.0001642900000000, -0.0000705100000000, -0.0000622700000000 ] - [ 0.0004143500000000, 0.0001103000000000, 0.0001005200000000 ] - [ 0.0000508100000000, 0.0001365400000000, 0.0000503700000000 ] - [ 0.0001480000000000, -0.0001492000000000, 0.0000423700000000 ] - [ -0.0001551800000000, 0.0003725300000000, 0.0001622500000000 ] - [ 0.0000174600000000, 0.0001827400000000, 0.0000754400000000 ] - [ -0.0001187400000000, -0.0003382800000000, 0.0003476400000000 ] - [ 0.0002105400000000, -0.0000158300000000, 0.0001827600000000 ]- atom: 28 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ 0.0009622600000000, 0.0003371800000000, -0.0005611300000000 ] - [ 0.0002419200000000, -0.0001951000000000, -0.0002582300000000 ] - [ -0.0001826600000000, -0.0000949200000000, 0.0001711400000000 ] - [ 0.0002142000000000, 0.0025402400000000, -0.0002193900000000 ] - [ -0.0001620700000000, 0.0001366700000000, 0.0000757200000000 ] - [ -0.0029177500000000, -0.0001284100000000, -0.0000539400000000 ] - [ -0.0000291300000000, -0.0000741900000000, -0.0002036300000000 ] - [ 0.0003487200000000, -0.0021885000000000, 0.0005973400000000 ] - [ -0.0001547400000000, -0.0001934500000000, 0.0001548000000000 ] - [ -0.0000643300000000, -0.0001937500000000, -0.0000462400000000 ] - [ 0.0000173900000000, -0.0001731600000000, 0.0001363000000000 ] - [ -0.0000255900000000, 0.0001616300000000, -0.0000420100000000 ] - [ -0.0000993700000000, 0.0001641800000000, 0.0003376200000000 ] - [ 0.0000336200000000, 0.0000725300000000, -0.0002075000000000 ] - [ 0.0000210500000000, -0.0000476500000000, -0.0003412100000000 ] - [ 0.0000017500000000, 0.0000515300000000, 0.0000552900000000 ] - [ -0.0002050600000000, -0.0002403500000000, -0.0001089500000000 ] - [ 0.0110505400000000, -0.0038418000000000, -0.0087099300000000 ] - [ 0.0109276100000000, 0.0031772300000000, 0.0086134700000000 ] - [ 0.0004752500000000, -0.0006590300000000, 0.0000086300000000 ] - [ 0.0004779000000000, -0.0001150400000000, -0.0001498200000000 ] - [ -0.0000153300000000, -0.0000135300000000, 0.0001623000000000 ] - [ 0.0000797300000000, -0.0001327900000000, -0.0002480700000000 ] - [ -0.0002468800000000, -0.0003144600000000, 0.0001978400000000 ] - [ -0.0006930900000000, -0.0013557300000000, 0.0002471200000000 ] - [ -0.0001503900000000, -0.0002468600000000, -0.0003339200000000 ] - [ -0.0001342900000000, -0.0015154000000000, -0.0007787800000000 ] - [ -0.1660289700000000, 0.0008158500000000, -0.0023400500000000 ] - [ 0.0032532800000000, 0.0004132300000000, -0.0004203100000000 ] - [ -0.0012149600000000, 0.0009493900000000, 0.0000618600000000 ] - [ 0.0049947200000000, -0.0003317900000000, 0.0000383700000000 ] - [ 0.0000480600000000, 0.0007398700000000, 0.0005753400000000 ] - [ -0.0003131300000000, -0.0007599200000000, -0.0001131200000000 ] - [ -0.0003716800000000, -0.0000743700000000, 0.0001191100000000 ] - [ -0.0000677700000000, -0.0002020100000000, -0.0003891000000000 ] - [ 0.0004934000000000, -0.0002378500000000, 0.0000291500000000 ] - [ -0.0000819300000000, 0.0000812100000000, -0.0004236900000000 ] - [ 0.0032783700000000, 0.0009805600000000, 0.0006171000000000 ] - [ -0.0002271500000000, 0.0002770200000000, -0.0001109100000000 ] - [ 0.0004406600000000, 0.0002031300000000, -0.0000908900000000 ] - [ 0.0001260800000000, 0.0001249500000000, -0.0001977100000000 ] - [ -0.0010961900000000, -0.0001021000000000, -0.0000464100000000 ] - [ 0.0001168500000000, 0.0004947800000000, 0.0005235700000000 ] - [ 0.0000778100000000, 0.0004319800000000, 0.0003324000000000 ] - [ 0.0571426700000000, 0.0050384600000000, -0.0412271500000000 ] - [ -0.0017956600000000, 0.0010038400000000, -0.0009850700000000 ] - [ -0.0021079400000000, -0.0006882500000000, 0.0000028500000000 ] - [ 0.0005454800000000, -0.0001921800000000, -0.0000626800000000 ] - [ 0.0001079600000000, -0.0001297900000000, -0.0000568600000000 ] - [ -0.0016526000000000, 0.0002507200000000, -0.0007023500000000 ] - [ -0.0000108300000000, -0.0000195400000000, 0.0001804900000000 ] - [ 0.0001958900000000, -0.0002536100000000, -0.0000395000000000 ] - [ 0.0000390100000000, 0.0009660400000000, 0.0012564200000000 ] - [ 0.0004863600000000, -0.0005487300000000, 0.0006323500000000 ] - [ 0.0003093600000000, -0.0005961400000000, -0.0001139200000000 ] - [ 0.0000589200000000, 0.0000251100000000, -0.0000107000000000 ] - [ -0.0004961700000000, -0.0002743300000000, -0.0002679500000000 ] - [ 0.0017131800000000, -0.0007836400000000, -0.0003818000000000 ] - [ -0.0018535700000000, 0.0007029000000000, -0.0000201600000000 ] - [ 0.0612205600000000, -0.0047099400000000, 0.0430156800000000 ] - [ -0.0004417100000000, -0.0000665000000000, -0.0000246100000000 ] - [ -0.0004374000000000, -0.0004621500000000, -0.0005920100000000 ] - [ 0.0000404500000000, 0.0005770100000000, -0.0004764300000000 ] - [ -0.0002463000000000, 0.0000380900000000, 0.0000244200000000 ] - [ 0.0057874200000000, -0.0026260200000000, -0.0033943100000000 ] - [ 0.0060103300000000, 0.0028701300000000, 0.0026217700000000 ] - [ 0.0005569600000000, 0.0001266900000000, -0.0001427000000000 ] - [ 0.0000865600000000, -0.0001324700000000, 0.0000294900000000 ] - [ -0.0002318900000000, 0.0008726200000000, 0.0003182500000000 ] - [ 0.0141029400000000, 0.0001005500000000, 0.0012527800000000 ] - [ 0.0003182300000000, 0.0003770900000000, 0.0004885500000000 ] - [ -0.0012463200000000, -0.0010417400000000, 0.0014243600000000 ] - [ -0.0002032800000000, 0.0003524100000000, -0.0002649400000000 ] - [ -0.0000965000000000, 0.0000347000000000, -0.0001627500000000 ] - [ 0.0002672100000000, 0.0000679500000000, 0.0001336700000000 ] - [ -0.0005265800000000, 0.0004434400000000, 0.0003917000000000 ] - [ -0.0001985200000000, 0.0000201500000000, 0.0002514600000000 ] - [ -0.0001011000000000, 0.0002759200000000, 0.0003630000000000 ] - [ -0.0001387900000000, -0.0004156700000000, 0.0001745100000000 ] - [ 0.0003121500000000, -0.0002147700000000, 0.0000874100000000 ] - [ -0.0002152500000000, -0.0001287500000000, -0.0003715700000000 ] - [ 0.0000187200000000, -0.0002059400000000, -0.0001221800000000 ] - [ -0.0002230200000000, 0.0000029700000000, 0.0002989700000000 ] - [ -0.0002416500000000, -0.0001369900000000, 0.0000248000000000 ] - [ 0.0000458500000000, 0.0001107300000000, 0.0000208700000000 ] - [ 0.0000170500000000, -0.0004648400000000, 0.0003379900000000 ] - [ -0.0000012600000000, -0.0002990000000000, 0.0000442600000000 ] - [ 0.0002986400000000, -0.0000465400000000, -0.0000546700000000 ] - [ -0.0002611500000000, -0.0001635400000000, -0.0002033800000000 ] - [ -0.0008693300000000, -0.0003671100000000, -0.0003604200000000 ] - [ 0.0001359700000000, 0.0005426500000000, -0.0000270600000000 ] - [ -0.0003475700000000, 0.0002008100000000, -0.0002337400000000 ] - [ 0.0001112900000000, -0.0000212500000000, 0.0000077100000000 ] - [ -0.0000860300000000, -0.0000481100000000, -0.0001635900000000 ] - [ 0.0002051500000000, 0.0002785900000000, -0.0000700700000000 ] - [ -0.0000638600000000, -0.0000215600000000, 0.0000509200000000 ] - [ 0.0001444900000000, 0.0000143800000000, -0.0000792200000000 ] - [ 0.0003941300000000, 0.0001728900000000, 0.0000270200000000 ] - [ 0.0000695700000000, 0.0002113300000000, -0.0000459700000000 ] - [ 0.0002542800000000, -0.0000405400000000, -0.0001285900000000 ] - [ -0.0001739500000000, 0.0004429000000000, 0.0000809700000000 ] - [ -0.0000111100000000, 0.0002808700000000, 0.0000760800000000 ] - [ -0.0001503800000000, -0.0001013100000000, 0.0003159500000000 ] - [ 0.0002342500000000, 0.0000780000000000, 0.0001921300000000 ]- atom: 28 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0011705400000000, -0.0006790700000000, 0.0008420400000000 ] - [ -0.0003059300000000, -0.0001225000000000, 0.0001413600000000 ] - [ 0.0001470600000000, -0.0001802400000000, 0.0000804900000000 ] - [ -0.0002814200000000, -0.0022058200000000, 0.0000982600000000 ] - [ -0.0000503200000000, 0.0002106600000000, 0.0002110300000000 ] - [ 0.0029096600000000, 0.0003040700000000, -0.0003381800000000 ] - [ 0.0000208600000000, -0.0001164500000000, -0.0001940600000000 ] - [ -0.0003832400000000, 0.0024797700000000, -0.0003443100000000 ] - [ -0.0000558400000000, -0.0001524800000000, 0.0001303900000000 ] - [ -0.0000018400000000, -0.0001276200000000, -0.0000755300000000 ] - [ -0.0000535900000000, -0.0001018900000000, 0.0001166400000000 ] - [ -0.0000402300000000, 0.0001585000000000, -0.0000806900000000 ] - [ -0.0001107700000000, 0.0001819000000000, -0.0000510200000000 ] - [ -0.0000433500000000, 0.0001194700000000, -0.0001914000000000 ] - [ -0.0000312800000000, -0.0001448400000000, -0.0000566700000000 ] - [ -0.0000382800000000, 0.0002222700000000, 0.0001965800000000 ] - [ 0.0003770200000000, 0.0004954100000000, -0.0002398500000000 ] - [ -0.0108633600000000, 0.0041453700000000, 0.0089342500000000 ] - [ -0.0108729400000000, -0.0034607300000000, -0.0089971400000000 ] - [ -0.0004063400000000, 0.0003151400000000, 0.0002423500000000 ] - [ -0.0003059500000000, 0.0003590700000000, -0.0002014100000000 ] - [ 0.0000855100000000, 0.0003560300000000, 0.0000877300000000 ] - [ 0.0000918600000000, -0.0001158100000000, -0.0001015900000000 ] - [ 0.0003170500000000, -0.0000342300000000, 0.0000516900000000 ] - [ -0.0001405300000000, -0.0000198300000000, -0.0004127800000000 ] - [ -0.0003552700000000, -0.0003628100000000, 0.0000696600000000 ] - [ -0.0000137800000000, 0.0013035700000000, -0.0000220800000000 ] - [ 0.1666944900000000, -0.0002154100000000, -0.0020273500000000 ] - [ -0.0033975600000000, -0.0001840400000000, -0.0003718800000000 ] - [ 0.0003822800000000, 0.0004443800000000, -0.0002227400000000 ] - [ -0.0055088200000000, 0.0012109300000000, -0.0000129700000000 ] - [ 0.0007154100000000, -0.0003337800000000, -0.0004208100000000 ] - [ -0.0005223800000000, -0.0006199500000000, -0.0000529800000000 ] - [ -0.0001345900000000, -0.0005387800000000, -0.0003863200000000 ] - [ -0.0000758500000000, -0.0000160700000000, -0.0004138600000000 ] - [ 0.0002659000000000, -0.0001652500000000, 0.0001274900000000 ] - [ -0.0000619400000000, 0.0001330400000000, -0.0003809700000000 ] - [ -0.0041121800000000, 0.0003937000000000, -0.0007874100000000 ] - [ -0.0002785300000000, 0.0003340400000000, -0.0001566400000000 ] - [ 0.0003194400000000, 0.0001978400000000, 0.0002442400000000 ] - [ 0.0000176000000000, -0.0001736800000000, -0.0000714200000000 ] - [ 0.0008946900000000, 0.0001743200000000, -0.0002664300000000 ] - [ 0.0003546600000000, -0.0005691400000000, -0.0001773900000000 ] - [ -0.0000779100000000, 0.0004470700000000, 0.0003186000000000 ] - [ -0.0597898900000000, -0.0054373500000000, 0.0437575700000000 ] - [ 0.0016491400000000, -0.0005307300000000, 0.0016823600000000 ] - [ 0.0017570200000000, -0.0001191700000000, 0.0003226000000000 ] - [ 0.0003086700000000, -0.0001096100000000, 0.0001050300000000 ] - [ 0.0000775100000000, -0.0002643400000000, -0.0000640900000000 ] - [ 0.0018027500000000, -0.0001968800000000, 0.0004417300000000 ] - [ -0.0003062000000000, -0.0000180200000000, 0.0003148600000000 ] - [ -0.0006292200000000, -0.0000286700000000, 0.0000720900000000 ] - [ 0.0000586600000000, -0.0008964400000000, -0.0012661400000000 ] - [ -0.0004887500000000, -0.0003252200000000, 0.0000094700000000 ] - [ -0.0002950400000000, 0.0000647100000000, 0.0001372800000000 ] - [ 0.0002969800000000, -0.0000110700000000, -0.0000839700000000 ] - [ -0.0001054700000000, -0.0000488100000000, -0.0002201300000000 ] - [ -0.0012559700000000, 0.0003092800000000, 0.0001378800000000 ] - [ 0.0021350500000000, -0.0003708400000000, 0.0000773900000000 ] - [ -0.0593906300000000, 0.0046477700000000, -0.0414682000000000 ] - [ 0.0005320800000000, -0.0000069600000000, 0.0000250200000000 ] - [ 0.0002318800000000, 0.0003716300000000, 0.0002827700000000 ] - [ 0.0004199300000000, -0.0001485800000000, 0.0002455800000000 ] - [ -0.0001868100000000, 0.0002318700000000, 0.0000062400000000 ] - [ -0.0054099300000000, 0.0026025600000000, 0.0032506400000000 ] - [ -0.0051835300000000, -0.0025903200000000, -0.0026342400000000 ] - [ -0.0003716900000000, 0.0002697500000000, 0.0000251400000000 ] - [ 0.0002027700000000, -0.0002014100000000, 0.0000243100000000 ] - [ -0.0001201300000000, -0.0000561000000000, 0.0000163500000000 ] - [ -0.0140786300000000, 0.0000784700000000, -0.0009020700000000 ] - [ -0.0004749000000000, -0.0008557300000000, 0.0002033500000000 ] - [ 0.0017039000000000, 0.0011167900000000, -0.0010777300000000 ] - [ 0.0003471300000000, -0.0003983800000000, -0.0000019100000000 ] - [ -0.0001055800000000, 0.0000547100000000, -0.0001504300000000 ] - [ 0.0002024000000000, -0.0001405900000000, 0.0002142200000000 ] - [ 0.0005270800000000, 0.0004327400000000, 0.0002556000000000 ] - [ -0.0001150600000000, 0.0000173200000000, 0.0002438000000000 ] - [ -0.0000597600000000, 0.0001946100000000, 0.0003393700000000 ] - [ -0.0002149700000000, -0.0004013200000000, 0.0001630700000000 ] - [ 0.0005438500000000, -0.0000850400000000, -0.0000439800000000 ] - [ 0.0004008600000000, -0.0002664600000000, 0.0002509900000000 ] - [ 0.0001271000000000, 0.0002634600000000, -0.0001487900000000 ] - [ -0.0000918800000000, -0.0000383000000000, 0.0001968800000000 ] - [ -0.0001925900000000, -0.0001345800000000, 0.0000065800000000 ] - [ 0.0000444100000000, -0.0000351800000000, -0.0000207500000000 ] - [ -0.0000154500000000, -0.0004144600000000, 0.0003061600000000 ] - [ 0.0000167500000000, -0.0002269500000000, -0.0000165600000000 ] - [ 0.0000577800000000, 0.0000634900000000, -0.0000400000000000 ] - [ -0.0003395100000000, -0.0001563600000000, -0.0002851000000000 ] - [ 0.0013315700000000, -0.0000689200000000, 0.0001273000000000 ] - [ 0.0001528800000000, -0.0002032000000000, 0.0000806200000000 ] - [ -0.0002538100000000, 0.0001204300000000, -0.0002550100000000 ] - [ -0.0000210400000000, -0.0000453500000000, -0.0000063600000000 ] - [ -0.0001154500000000, -0.0000411200000000, -0.0001497300000000 ] - [ 0.0002578100000000, 0.0001497800000000, -0.0001617400000000 ] - [ -0.0003678700000000, 0.0002962900000000, -0.0000187000000000 ] - [ 0.0002111100000000, -0.0000288600000000, -0.0000153000000000 ] - [ 0.0004621900000000, 0.0001277600000000, 0.0000160900000000 ] - [ 0.0001159700000000, 0.0001846100000000, -0.0000766800000000 ] - [ 0.0000331600000000, -0.0002920300000000, 0.0001824600000000 ] - [ -0.0001798000000000, 0.0003743700000000, 0.0002564500000000 ] - [ 0.0000263500000000, 0.0002481200000000, -0.0000494500000000 ] - [ -0.0000101700000000, -0.0003686500000000, 0.0003864400000000 ] - [ 0.0002360300000000, -0.0000046500000000, 0.0001564400000000 ]- atom: 28 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002925100000000, -0.0002533300000000, 0.0001549900000000 ] - [ -0.0009552500000000, -0.0016164200000000, -0.0021884600000000 ] - [ 0.0000710300000000, -0.0005236500000000, 0.0001575500000000 ] - [ 0.0023034800000000, 0.0002971900000000, 0.0018531300000000 ] - [ 0.0002259100000000, 0.0003255600000000, 0.0000760500000000 ] - [ -0.0000274100000000, 0.0006364100000000, -0.0014293300000000 ] - [ -0.0002297100000000, 0.0000031900000000, -0.0002433000000000 ] - [ -0.0026036700000000, 0.0006358300000000, 0.0022139400000000 ] - [ -0.0000499300000000, -0.0000346800000000, 0.0001909900000000 ] - [ 0.0000125600000000, 0.0000287100000000, -0.0001065300000000 ] - [ -0.0000678900000000, 0.0000886600000000, 0.0000233400000000 ] - [ -0.0000820600000000, 0.0004053900000000, -0.0000429800000000 ] - [ 0.0000577300000000, 0.0008957300000000, 0.0002435000000000 ] - [ -0.0000621700000000, 0.0002032700000000, -0.0002079100000000 ] - [ -0.0001692800000000, 0.0006513300000000, -0.0000096300000000 ] - [ 0.0000287200000000, 0.0003743200000000, 0.0001435900000000 ] - [ 0.0003379300000000, 0.0001592000000000, -0.0002403600000000 ] - [ -0.0036160000000000, -0.0004354500000000, 0.0000365100000000 ] - [ 0.0039336000000000, -0.0012298100000000, 0.0002947700000000 ] - [ 0.0000235400000000, -0.0004957200000000, -0.0002426800000000 ] - [ 0.0001057100000000, 0.0006716600000000, -0.0001880500000000 ] - [ -0.0001395100000000, 0.0009257300000000, 0.0001308400000000 ] - [ 0.0003228500000000, 0.0005613200000000, -0.0001545800000000 ] - [ -0.0000151900000000, 0.0002094900000000, 0.0000359600000000 ] - [ -0.0003989000000000, -0.0008663800000000, 0.0002697800000000 ] - [ 0.0000879700000000, -0.0001659500000000, 0.0000748700000000 ] - [ -0.0012054400000000, -0.0017518400000000, -0.0019416300000000 ] - [ 0.0007795200000000, -0.1821163700000000, 0.0407834600000000 ] - [ 0.0000351300000000, 0.0023847000000000, 0.0008561000000000 ] - [ -0.0003506400000000, 0.0015711700000000, 0.0015237600000000 ] - [ -0.0015187900000000, 0.0544767300000000, 0.0320135400000000 ] - [ -0.0001547900000000, -0.0006890300000000, -0.0005202100000000 ] - [ -0.0002908600000000, -0.0004427600000000, -0.0001420700000000 ] - [ -0.0002519100000000, -0.0001626600000000, -0.0003409500000000 ] - [ -0.0000822600000000, 0.0001240900000000, -0.0004819100000000 ] - [ 0.0003451900000000, 0.0000905200000000, -0.0003652100000000 ] - [ -0.0000196300000000, 0.0005257900000000, -0.0003648500000000 ] - [ -0.0005650200000000, 0.0013274500000000, 0.0004900100000000 ] - [ -0.0001937500000000, 0.0003836900000000, 0.0000718500000000 ] - [ 0.0003767900000000, 0.0005216400000000, 0.0003408600000000 ] - [ 0.0000607900000000, -0.0002529500000000, -0.0001602200000000 ] - [ 0.0001226300000000, -0.0003684900000000, -0.0005642000000000 ] - [ 0.0001771400000000, 0.0006231700000000, 0.0005394100000000 ] - [ 0.0000552900000000, 0.0001964800000000, -0.0006444700000000 ] - [ 0.0058811000000000, 0.0149787400000000, -0.0051519400000000 ] - [ -0.0035654700000000, 0.0000657400000000, -0.0015609800000000 ] - [ -0.0002507700000000, -0.0002686400000000, -0.0001960100000000 ] - [ 0.0004358500000000, -0.0001631800000000, 0.0000309600000000 ] - [ 0.0001154100000000, -0.0002990000000000, -0.0001028800000000 ] - [ 0.0000489200000000, -0.0006803200000000, 0.0000662300000000 ] - [ -0.0002114700000000, 0.0001017500000000, 0.0003101200000000 ] - [ -0.0001177600000000, 0.0023569200000000, 0.0001513700000000 ] - [ 0.0000736500000000, 0.0006872700000000, 0.0002384300000000 ] - [ 0.0001498600000000, -0.0004187200000000, 0.0000692100000000 ] - [ -0.0000814300000000, 0.0001616100000000, 0.0001782900000000 ] - [ 0.0001426900000000, 0.0000341600000000, -0.0000055600000000 ] - [ -0.0000106200000000, 0.0002123000000000, 0.0002433900000000 ] - [ -0.0000913600000000, 0.0028258700000000, -0.0013188600000000 ] - [ -0.0001224500000000, -0.0002410200000000, 0.0001489300000000 ] - [ -0.0057854200000000, 0.0147414400000000, -0.0042301500000000 ] - [ 0.0000404700000000, 0.0004893300000000, 0.0000719300000000 ] - [ 0.0012386900000000, 0.0000281800000000, -0.0003917100000000 ] - [ 0.0002431500000000, 0.0001522700000000, -0.0003226400000000 ] - [ -0.0002577800000000, 0.0000821800000000, -0.0000416600000000 ] - [ 0.0025370500000000, -0.0011028400000000, -0.0027245300000000 ] - [ -0.0014913100000000, -0.0006087900000000, -0.0022407700000000 ] - [ 0.0001996500000000, 0.0002338700000000, 0.0003783200000000 ] - [ 0.0000592700000000, -0.0003626200000000, 0.0001448900000000 ] - [ -0.0002606300000000, 0.0010072800000000, 0.0005323500000000 ] - [ 0.0011830200000000, 0.0934938900000000, -0.0579989600000000 ] - [ -0.0001052600000000, 0.0000037500000000, 0.0009633300000000 ] - [ 0.0030874600000000, 0.0003204800000000, -0.0011457700000000 ] - [ 0.0001252100000000, -0.0001982000000000, -0.0001767600000000 ] - [ -0.0000486300000000, 0.0000078000000000, -0.0002631700000000 ] - [ 0.0002991400000000, -0.0002395900000000, 0.0002031900000000 ] - [ -0.0000510700000000, 0.0007342400000000, 0.0005264800000000 ] - [ -0.0002612200000000, -0.0001741500000000, 0.0002963700000000 ] - [ -0.0000515200000000, -0.0001386900000000, 0.0003373600000000 ] - [ -0.0002844700000000, -0.0005386600000000, 0.0001017700000000 ] - [ 0.0004361500000000, -0.0002760700000000, 0.0000127700000000 ] - [ -0.0000316400000000, -0.0002087500000000, -0.0000740400000000 ] - [ -0.0000033900000000, -0.0006465400000000, -0.0001918800000000 ] - [ -0.0001220200000000, -0.0001917100000000, 0.0002532900000000 ] - [ -0.0001581700000000, -0.0002461300000000, 0.0000020200000000 ] - [ 0.0000478600000000, -0.0001816800000000, -0.0000306600000000 ] - [ 0.0000002400000000, -0.0003523600000000, 0.0004559000000000 ] - [ 0.0000082600000000, -0.0005461100000000, -0.0001241300000000 ] - [ 0.0002260600000000, -0.0001346600000000, 0.0000695200000000 ] - [ -0.0003005500000000, -0.0002942600000000, -0.0002454800000000 ] - [ 0.0004076900000000, -0.0004200300000000, -0.0001812900000000 ] - [ 0.0001349600000000, -0.0005805000000000, 0.0000596600000000 ] - [ -0.0001967100000000, -0.0000362100000000, -0.0002193700000000 ] - [ 0.0000357500000000, 0.0000030500000000, 0.0001756600000000 ] - [ -0.0001429100000000, -0.0000172400000000, -0.0001276100000000 ] - [ 0.0001809100000000, 0.0001352800000000, -0.0001397900000000 ] - [ -0.0002344500000000, 0.0000065800000000, 0.0001467700000000 ] - [ 0.0002431200000000, -0.0001151800000000, -0.0000276600000000 ] - [ 0.0003725700000000, 0.0000424600000000, 0.0000272400000000 ] - [ 0.0000887000000000, -0.0004641500000000, 0.0002448800000000 ] - [ 0.0001626700000000, -0.0001461700000000, 0.0000075600000000 ] - [ -0.0001468800000000, 0.0003461700000000, 0.0001785200000000 ] - [ 0.0000032400000000, -0.0000531700000000, 0.0002096900000000 ] - [ -0.0001402500000000, -0.0004107500000000, 0.0003465200000000 ] - [ 0.0001958900000000, -0.0003894400000000, 0.0001121000000000 ]- atom: 28 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000837000000000, -0.0000887400000000, 0.0001270600000000 ] - [ 0.0008856600000000, 0.0012967300000000, 0.0020494500000000 ] - [ -0.0001072900000000, 0.0002489900000000, 0.0000932900000000 ] - [ -0.0023492600000000, 0.0000362800000000, -0.0019605100000000 ] - [ -0.0004348400000000, 0.0000217700000000, 0.0002089800000000 ] - [ 0.0000185100000000, -0.0004420700000000, 0.0010371500000000 ] - [ 0.0002188900000000, -0.0001943100000000, -0.0001558800000000 ] - [ 0.0025419000000000, -0.0003448800000000, -0.0019450000000000 ] - [ -0.0001607700000000, -0.0003113400000000, 0.0000960000000000 ] - [ -0.0000785500000000, -0.0003490600000000, -0.0000162000000000 ] - [ 0.0000316600000000, -0.0003619300000000, 0.0002281500000000 ] - [ 0.0000161100000000, -0.0000835800000000, -0.0000801200000000 ] - [ -0.0002712800000000, -0.0005516100000000, 0.0000441200000000 ] - [ 0.0000526100000000, -0.0000111400000000, -0.0001902600000000 ] - [ 0.0001624900000000, -0.0008456100000000, -0.0003889800000000 ] - [ -0.0000649800000000, -0.0000992000000000, 0.0001076400000000 ] - [ -0.0001666100000000, 0.0000850400000000, -0.0001093600000000 ] - [ 0.0036797200000000, 0.0007951900000000, 0.0002512000000000 ] - [ -0.0037533000000000, 0.0009953800000000, -0.0006067600000000 ] - [ 0.0000458000000000, 0.0001475100000000, 0.0004932100000000 ] - [ 0.0000659600000000, -0.0004274900000000, -0.0001643700000000 ] - [ 0.0002085200000000, -0.0005751300000000, 0.0001172300000000 ] - [ -0.0001499000000000, -0.0007990800000000, -0.0001997400000000 ] - [ 0.0000851000000000, -0.0005544300000000, 0.0002129100000000 ] - [ -0.0004391900000000, -0.0005130600000000, -0.0004365200000000 ] - [ -0.0005922700000000, -0.0004468600000000, -0.0003389500000000 ] - [ 0.0010621200000000, 0.0015392300000000, 0.0011325300000000 ] - [ -0.0000108000000000, 0.1797919400000000, -0.0357537500000000 ] - [ -0.0001851600000000, -0.0021509100000000, -0.0016361300000000 ] - [ -0.0004918600000000, -0.0001547800000000, -0.0016877700000000 ] - [ 0.0010336000000000, -0.0554473900000000, -0.0336553400000000 ] - [ 0.0009150600000000, 0.0010941500000000, 0.0006725200000000 ] - [ -0.0005423900000000, -0.0009408300000000, -0.0000243800000000 ] - [ -0.0002541300000000, -0.0004514400000000, 0.0000752800000000 ] - [ -0.0000614300000000, -0.0003370800000000, -0.0003208300000000 ] - [ 0.0004151500000000, -0.0004936400000000, 0.0005159300000000 ] - [ -0.0001244400000000, -0.0003192800000000, -0.0004449600000000 ] - [ -0.0002687800000000, 0.0000550000000000, -0.0006562800000000 ] - [ -0.0003115100000000, 0.0002305700000000, -0.0003368000000000 ] - [ 0.0003839700000000, -0.0001171700000000, -0.0001886700000000 ] - [ 0.0000795800000000, 0.0002036700000000, -0.0001109400000000 ] - [ -0.0003252900000000, 0.0004511400000000, 0.0002495500000000 ] - [ 0.0002928800000000, -0.0006950900000000, -0.0001959900000000 ] - [ -0.0000534100000000, 0.0006822300000000, 0.0012845100000000 ] - [ -0.0060224200000000, -0.0148446900000000, 0.0054387800000000 ] - [ 0.0034347200000000, 0.0004004300000000, 0.0022435600000000 ] - [ -0.0001031500000000, -0.0005491500000000, 0.0005291600000000 ] - [ 0.0004186400000000, -0.0001374700000000, 0.0000120600000000 ] - [ 0.0000708500000000, -0.0000927500000000, -0.0000184700000000 ] - [ 0.0000894100000000, 0.0007279800000000, -0.0003335900000000 ] - [ -0.0001044100000000, -0.0001377900000000, 0.0001843000000000 ] - [ -0.0003079300000000, -0.0028234100000000, -0.0000816200000000 ] - [ 0.0000173800000000, -0.0006109700000000, -0.0002370200000000 ] - [ -0.0001499700000000, -0.0004601500000000, 0.0005747000000000 ] - [ 0.0000968800000000, -0.0006879800000000, -0.0001536300000000 ] - [ 0.0002137800000000, -0.0000198100000000, -0.0000875300000000 ] - [ -0.0005884900000000, -0.0005346300000000, -0.0007313300000000 ] - [ 0.0005660300000000, -0.0033197000000000, 0.0010886300000000 ] - [ 0.0004142300000000, 0.0005725100000000, -0.0000907400000000 ] - [ 0.0049968300000000, -0.0143323900000000, 0.0035177000000000 ] - [ 0.0000504000000000, -0.0005595700000000, -0.0000720000000000 ] - [ -0.0014500100000000, -0.0001180500000000, 0.0000938100000000 ] - [ 0.0002203200000000, 0.0002761800000000, 0.0000934200000000 ] - [ -0.0001752400000000, 0.0001869200000000, 0.0000725400000000 ] - [ -0.0021513300000000, 0.0011115500000000, 0.0025856500000000 ] - [ 0.0023156600000000, 0.0009164100000000, 0.0022353300000000 ] - [ -0.0000141900000000, 0.0001573800000000, -0.0005009000000000 ] - [ 0.0002317000000000, 0.0000268000000000, -0.0000882900000000 ] - [ -0.0000940900000000, -0.0001898900000000, -0.0001958400000000 ] - [ -0.0011876500000000, -0.0895337800000000, 0.0549242400000000 ] - [ -0.0000516200000000, -0.0004708500000000, -0.0002686400000000 ] - [ -0.0026327400000000, -0.0002493300000000, 0.0014781600000000 ] - [ 0.0000172600000000, 0.0001528500000000, -0.0000878100000000 ] - [ -0.0001530100000000, 0.0000782600000000, -0.0000502000000000 ] - [ 0.0001722100000000, 0.0001676000000000, 0.0001451800000000 ] - [ 0.0000507700000000, 0.0001460600000000, 0.0001201900000000 ] - [ -0.0000546300000000, 0.0002103200000000, 0.0001987000000000 ] - [ -0.0001105400000000, 0.0006030500000000, 0.0003645500000000 ] - [ -0.0000707100000000, -0.0002760900000000, 0.0002352300000000 ] - [ 0.0004191000000000, -0.0000247100000000, 0.0000321800000000 ] - [ 0.0002180500000000, -0.0001830900000000, -0.0000447100000000 ] - [ 0.0001421600000000, 0.0006883200000000, -0.0000783100000000 ] - [ -0.0001933100000000, 0.0001551400000000, 0.0002417600000000 ] - [ -0.0002736800000000, -0.0000224700000000, 0.0000289000000000 ] - [ 0.0000426800000000, 0.0002569100000000, 0.0000301900000000 ] - [ 0.0000002000000000, -0.0005276400000000, 0.0001912000000000 ] - [ 0.0000076400000000, 0.0000211200000000, 0.0001512500000000 ] - [ 0.0001305900000000, 0.0001491700000000, -0.0001628700000000 ] - [ -0.0002998400000000, -0.0000260200000000, -0.0002434800000000 ] - [ 0.0000556800000000, -0.0000114600000000, -0.0000509200000000 ] - [ 0.0001553000000000, 0.0009122000000000, -0.0000032500000000 ] - [ -0.0004034100000000, 0.0003562600000000, -0.0002694400000000 ] - [ 0.0000555100000000, -0.0000561700000000, -0.0001681300000000 ] - [ -0.0000586400000000, -0.0000699600000000, -0.0001863400000000 ] - [ 0.0002819200000000, 0.0002943300000000, -0.0000912600000000 ] - [ -0.0001972000000000, 0.0002647300000000, -0.0001130100000000 ] - [ 0.0001131900000000, 0.0001006700000000, -0.0000648400000000 ] - [ 0.0004828200000000, 0.0002578600000000, 0.0000175300000000 ] - [ 0.0000972400000000, 0.0008551900000000, -0.0003639500000000 ] - [ 0.0001287800000000, -0.0001899400000000, 0.0000481600000000 ] - [ -0.0002071000000000, 0.0004692000000000, 0.0001581500000000 ] - [ 0.0000122600000000, 0.0005777100000000, -0.0001815500000000 ] - [ -0.0000222000000000, -0.0000577000000000, 0.0003554300000000 ] - [ 0.0002757700000000, 0.0004568500000000, 0.0002368300000000 ]- atom: 28 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0006032500000000, -0.0007059400000000, 0.0010965000000000 ] - [ 0.0001892200000000, -0.0000265300000000, 0.0012371400000000 ] - [ 0.0000119200000000, -0.0001169300000000, 0.0001070700000000 ] - [ -0.0012768900000000, 0.0006956000000000, -0.0013688500000000 ] - [ -0.0005544200000000, 0.0002902800000000, 0.0003546800000000 ] - [ 0.0010666100000000, -0.0015549300000000, 0.0013995100000000 ] - [ 0.0003437700000000, 0.0000523200000000, -0.0000224600000000 ] - [ 0.0012022200000000, 0.0022373300000000, -0.0017343500000000 ] - [ -0.0001329600000000, -0.0001562800000000, -0.0000597100000000 ] - [ -0.0000674700000000, -0.0003059400000000, 0.0000398600000000 ] - [ 0.0000016400000000, -0.0002917200000000, 0.0003259400000000 ] - [ 0.0001922600000000, -0.0001425400000000, -0.0001165300000000 ] - [ 0.0004991500000000, 0.0001934900000000, 0.0001721200000000 ] - [ 0.0000225300000000, 0.0001473200000000, -0.0002949300000000 ] - [ -0.0004823700000000, -0.0000683500000000, 0.0000240500000000 ] - [ -0.0002654300000000, -0.0001562000000000, 0.0001036500000000 ] - [ -0.0000346200000000, 0.0010951100000000, -0.0001666300000000 ] - [ -0.0006269300000000, -0.0011483200000000, -0.0081919700000000 ] - [ -0.0066238900000000, -0.0032877000000000, -0.0144192400000000 ] - [ -0.0000295100000000, 0.0006965700000000, 0.0003211500000000 ] - [ 0.0000830800000000, -0.0002886100000000, 0.0000280900000000 ] - [ 0.0003025800000000, -0.0003618400000000, 0.0001746400000000 ] - [ -0.0002084800000000, -0.0008142200000000, 0.0000610100000000 ] - [ -0.0000402100000000, -0.0006773500000000, 0.0001910500000000 ] - [ -0.0001207700000000, -0.0003872000000000, 0.0000683500000000 ] - [ -0.0005312000000000, -0.0001804300000000, -0.0000580400000000 ] - [ -0.0001691800000000, 0.0004654000000000, 0.0002870400000000 ] - [ 0.0568089200000000, 0.0356767400000000, -0.1665102500000000 ] - [ -0.0011739000000000, -0.0005185900000000, -0.0022812100000000 ] - [ 0.0000899000000000, 0.0012175300000000, -0.0000489100000000 ] - [ -0.0023433900000000, 0.0312385800000000, 0.0284424000000000 ] - [ 0.0009617600000000, 0.0005906400000000, 0.0001995800000000 ] - [ -0.0007332200000000, -0.0008056400000000, -0.0000800000000000 ] - [ 0.0000657500000000, -0.0006441100000000, -0.0002026600000000 ] - [ -0.0001327200000000, -0.0002365500000000, -0.0002983900000000 ] - [ 0.0002924900000000, -0.0006081400000000, 0.0010981200000000 ] - [ -0.0000807400000000, -0.0002877600000000, -0.0006317700000000 ] - [ -0.0018086200000000, 0.0010638900000000, -0.0019730000000000 ] - [ -0.0003318600000000, 0.0004174300000000, -0.0007174500000000 ] - [ 0.0002022500000000, -0.0000489400000000, 0.0000254900000000 ] - [ 0.0001473500000000, -0.0001167700000000, -0.0000143400000000 ] - [ 0.0001522500000000, 0.0008109200000000, 0.0003708500000000 ] - [ 0.0003519700000000, -0.0005343700000000, -0.0000161100000000 ] - [ -0.0001509300000000, 0.0006898200000000, 0.0014250400000000 ] - [ -0.0567338500000000, -0.0061046200000000, 0.0611029900000000 ] - [ 0.0027904900000000, -0.0006681000000000, 0.0034890400000000 ] - [ 0.0003150800000000, 0.0004169200000000, 0.0012240300000000 ] - [ 0.0003427400000000, -0.0002949100000000, 0.0000036000000000 ] - [ 0.0000635200000000, -0.0001856700000000, 0.0000466100000000 ] - [ 0.0023932900000000, 0.0002110200000000, 0.0011843500000000 ] - [ -0.0002417100000000, -0.0002633400000000, 0.0002324000000000 ] - [ 0.0000615200000000, -0.0073225100000000, 0.0002174800000000 ] - [ 0.0002053300000000, -0.0007371200000000, -0.0003003900000000 ] - [ -0.0001278700000000, -0.0004926800000000, 0.0007248500000000 ] - [ -0.0001655100000000, -0.0005538000000000, -0.0001238600000000 ] - [ 0.0002180500000000, -0.0001439400000000, -0.0000913500000000 ] - [ -0.0004094700000000, -0.0003508300000000, -0.0003772400000000 ] - [ -0.0007748000000000, -0.0047246400000000, -0.0005850200000000 ] - [ -0.0007037900000000, 0.0008734300000000, 0.0006486200000000 ] - [ 0.0153974800000000, -0.0012915800000000, 0.0320918000000000 ] - [ 0.0002193600000000, -0.0005002500000000, 0.0005435300000000 ] - [ -0.0004713300000000, 0.0000218300000000, 0.0005578100000000 ] - [ 0.0002554400000000, 0.0001423500000000, -0.0002117800000000 ] - [ -0.0001881100000000, -0.0000311700000000, -0.0000291300000000 ] - [ -0.0024967500000000, 0.0023170400000000, 0.0047632400000000 ] - [ -0.0011532200000000, 0.0002771600000000, 0.0023957300000000 ] - [ -0.0000382800000000, 0.0003275600000000, 0.0004093400000000 ] - [ 0.0002721300000000, -0.0002282000000000, -0.0001908400000000 ] - [ 0.0000592100000000, 0.0000845000000000, -0.0002261500000000 ] - [ -0.0040019100000000, -0.0499437200000000, 0.0520253300000000 ] - [ 0.0000389700000000, -0.0008439700000000, -0.0001210900000000 ] - [ -0.0014619800000000, -0.0006082100000000, 0.0020272600000000 ] - [ 0.0000932400000000, 0.0001563500000000, -0.0001954500000000 ] - [ -0.0002204900000000, 0.0000791100000000, -0.0002348200000000 ] - [ 0.0002296000000000, 0.0001600400000000, 0.0000992100000000 ] - [ 0.0002705700000000, 0.0004197000000000, 0.0003720900000000 ] - [ 0.0001922900000000, 0.0003226300000000, 0.0001257900000000 ] - [ -0.0000430800000000, 0.0000445600000000, 0.0004049400000000 ] - [ -0.0001612100000000, -0.0004176800000000, 0.0002985300000000 ] - [ 0.0004238400000000, -0.0000133000000000, -0.0000665500000000 ] - [ 0.0001590800000000, -0.0002752800000000, -0.0001606600000000 ] - [ 0.0004651900000000, 0.0017037400000000, -0.0003421600000000 ] - [ -0.0001711700000000, 0.0001221600000000, 0.0001940000000000 ] - [ -0.0003709600000000, -0.0000861800000000, 0.0000672600000000 ] - [ 0.0000563700000000, 0.0002624900000000, 0.0000306700000000 ] - [ 0.0000913600000000, -0.0005040000000000, -0.0000272100000000 ] - [ 0.0000520200000000, -0.0000003200000000, 0.0000754700000000 ] - [ 0.0001105300000000, 0.0002741100000000, -0.0000538600000000 ] - [ -0.0002885400000000, -0.0000423400000000, -0.0003025900000000 ] - [ 0.0005100000000000, 0.0001911700000000, 0.0005862100000000 ] - [ 0.0002072600000000, 0.0013209000000000, -0.0001347400000000 ] - [ -0.0004960900000000, 0.0003996400000000, -0.0003088200000000 ] - [ 0.0000435700000000, 0.0011519600000000, 0.0002688400000000 ] - [ -0.0000229000000000, -0.0000639100000000, -0.0001593100000000 ] - [ 0.0002701700000000, 0.0000924800000000, -0.0001565600000000 ] - [ -0.0002552000000000, 0.0005002400000000, -0.0000248700000000 ] - [ -0.0000254800000000, -0.0000188600000000, -0.0000649800000000 ] - [ 0.0006510100000000, 0.0001633900000000, -0.0000072400000000 ] - [ 0.0001066600000000, 0.0006648900000000, -0.0004007400000000 ] - [ 0.0000483900000000, -0.0000568400000000, 0.0000589000000000 ] - [ -0.0002685900000000, 0.0004313400000000, 0.0001092600000000 ] - [ 0.0000661200000000, 0.0007001100000000, -0.0004652500000000 ] - [ -0.0000265000000000, -0.0000639400000000, 0.0003238300000000 ] - [ 0.0001742900000000, -0.0001079800000000, 0.0003130600000000 ]- atom: 28 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ 0.0003976800000000, 0.0003655000000000, -0.0008161800000000 ] - [ -0.0002586100000000, -0.0002907300000000, -0.0013655900000000 ] - [ -0.0000485700000000, -0.0001581700000000, 0.0001422500000000 ] - [ 0.0012130100000000, -0.0003800300000000, 0.0012490600000000 ] - [ 0.0003428800000000, 0.0000566600000000, -0.0000676000000000 ] - [ -0.0010670700000000, 0.0017389800000000, -0.0017898400000000 ] - [ -0.0003525400000000, -0.0002433700000000, -0.0003751700000000 ] - [ -0.0012473600000000, -0.0019468500000000, 0.0019913800000000 ] - [ -0.0000776200000000, -0.0001901000000000, 0.0003458600000000 ] - [ 0.0000014000000000, -0.0000158000000000, -0.0001622400000000 ] - [ -0.0000379500000000, 0.0000171000000000, -0.0000740700000000 ] - [ -0.0002582900000000, 0.0004630200000000, -0.0000066200000000 ] - [ -0.0007111700000000, 0.0001500000000000, 0.0001156100000000 ] - [ -0.0000323200000000, 0.0000445800000000, -0.0001033600000000 ] - [ 0.0004747000000000, -0.0001273400000000, -0.0004215900000000 ] - [ 0.0002290700000000, 0.0004299200000000, 0.0001476700000000 ] - [ 0.0002060700000000, -0.0008444800000000, -0.0001834600000000 ] - [ 0.0007096900000000, 0.0014860100000000, 0.0084692400000000 ] - [ 0.0067228100000000, 0.0030090700000000, 0.0140125700000000 ] - [ 0.0000978600000000, -0.0010417200000000, -0.0000701500000000 ] - [ 0.0000878800000000, 0.0005299100000000, -0.0003803400000000 ] - [ -0.0002332100000000, 0.0007048300000000, 0.0000763900000000 ] - [ 0.0003805900000000, 0.0005670500000000, -0.0004098100000000 ] - [ 0.0001107400000000, 0.0003301100000000, 0.0000584700000000 ] - [ -0.0007171300000000, -0.0009931700000000, -0.0002376400000000 ] - [ 0.0000248200000000, -0.0004326400000000, -0.0002054300000000 ] - [ 0.0000206400000000, -0.0006821100000000, -0.0010918200000000 ] - [ -0.0532095600000000, -0.0363531200000000, 0.1661688400000000 ] - [ 0.0010093500000000, 0.0007428000000000, 0.0014931300000000 ] - [ -0.0009291600000000, 0.0001921100000000, -0.0001002700000000 ] - [ 0.0017152400000000, -0.0313814900000000, -0.0290267000000000 ] - [ -0.0001974500000000, -0.0001862400000000, -0.0000485600000000 ] - [ -0.0001024400000000, -0.0005806500000000, -0.0000868800000000 ] - [ -0.0005718700000000, 0.0000283800000000, -0.0000626200000000 ] - [ -0.0000109900000000, 0.0000234600000000, -0.0005035000000000 ] - [ 0.0004665800000000, 0.0002027900000000, -0.0009418700000000 ] - [ -0.0000637600000000, 0.0004913200000000, -0.0001718400000000 ] - [ 0.0009590900000000, 0.0003153700000000, 0.0018021100000000 ] - [ -0.0001743000000000, 0.0001963400000000, 0.0004514900000000 ] - [ 0.0005582100000000, 0.0004520400000000, 0.0001260200000000 ] - [ -0.0000073500000000, 0.0000654300000000, -0.0002559900000000 ] - [ -0.0003488200000000, -0.0007319900000000, -0.0006885800000000 ] - [ 0.0001206400000000, 0.0004626000000000, 0.0003626400000000 ] - [ 0.0001509800000000, 0.0001904500000000, -0.0007789600000000 ] - [ 0.0536814700000000, 0.0056087400000000, -0.0588613700000000 ] - [ -0.0029054100000000, 0.0011312400000000, -0.0027762900000000 ] - [ -0.0006657400000000, -0.0012225000000000, -0.0008862800000000 ] - [ 0.0005112300000000, -0.0000071900000000, 0.0000412700000000 ] - [ 0.0001227000000000, -0.0002053300000000, -0.0001662800000000 ] - [ -0.0022391600000000, -0.0001504600000000, -0.0014462000000000 ] - [ -0.0000750000000000, 0.0002256500000000, 0.0002625000000000 ] - [ -0.0004915700000000, 0.0070213800000000, -0.0001760800000000 ] - [ -0.0001096000000000, 0.0008152700000000, 0.0003034600000000 ] - [ 0.0001265200000000, -0.0003876800000000, -0.0000799400000000 ] - [ 0.0001797000000000, 0.0000286400000000, 0.0001498600000000 ] - [ 0.0001385400000000, 0.0001567500000000, -0.0000008800000000 ] - [ -0.0001904900000000, 0.0000288700000000, -0.0001111500000000 ] - [ 0.0012377000000000, 0.0042283300000000, 0.0003298400000000 ] - [ 0.0010001500000000, -0.0005389000000000, -0.0005935200000000 ] - [ -0.0158369200000000, 0.0015668100000000, -0.0326542700000000 ] - [ -0.0001270300000000, 0.0004276500000000, -0.0005432800000000 ] - [ 0.0002697200000000, -0.0001089800000000, -0.0008627300000000 ] - [ 0.0002080200000000, 0.0002870600000000, -0.0000156700000000 ] - [ -0.0002445400000000, 0.0002984600000000, 0.0000602800000000 ] - [ 0.0029397400000000, -0.0023646500000000, -0.0049594900000000 ] - [ 0.0019875200000000, 0.0000184800000000, -0.0023692200000000 ] - [ 0.0002268800000000, 0.0000676900000000, -0.0005183000000000 ] - [ 0.0000202800000000, -0.0001089800000000, 0.0002469000000000 ] - [ -0.0004135400000000, 0.0007315400000000, 0.0005626100000000 ] - [ 0.0038286700000000, 0.0521909700000000, -0.0527837400000000 ] - [ -0.0002011300000000, 0.0003717200000000, 0.0008188400000000 ] - [ 0.0019275700000000, 0.0006849600000000, -0.0016848500000000 ] - [ 0.0000498400000000, -0.0002024200000000, -0.0000683100000000 ] - [ 0.0000183500000000, 0.0000073200000000, -0.0000797600000000 ] - [ 0.0002417300000000, -0.0002314100000000, 0.0002497500000000 ] - [ -0.0002683900000000, 0.0004600500000000, 0.0002760500000000 ] - [ -0.0005058300000000, -0.0002847600000000, 0.0003677300000000 ] - [ -0.0001201700000000, 0.0004231100000000, 0.0002971600000000 ] - [ -0.0001935100000000, -0.0003968800000000, 0.0000375500000000 ] - [ 0.0004310700000000, -0.0002879000000000, 0.0001118400000000 ] - [ 0.0000290400000000, -0.0001150900000000, 0.0000435100000000 ] - [ -0.0003230700000000, -0.0016438500000000, 0.0000698900000000 ] - [ -0.0001444400000000, -0.0001581100000000, 0.0003004600000000 ] - [ -0.0000624000000000, -0.0001820000000000, -0.0000358900000000 ] - [ 0.0000341700000000, -0.0001867900000000, -0.0000309900000000 ] - [ -0.0000903600000000, -0.0003777400000000, 0.0006727100000000 ] - [ -0.0000360700000000, -0.0005228700000000, -0.0000478000000000 ] - [ 0.0002455400000000, -0.0002598500000000, -0.0000382000000000 ] - [ -0.0003116200000000, -0.0002775000000000, -0.0001868900000000 ] - [ -0.0000444200000000, -0.0006302900000000, -0.0008178900000000 ] - [ 0.0000842900000000, -0.0009783300000000, 0.0001896200000000 ] - [ -0.0001045100000000, -0.0000786600000000, -0.0001811900000000 ] - [ 0.0000480600000000, -0.0012061900000000, -0.0002667700000000 ] - [ -0.0001784800000000, -0.0000224900000000, -0.0001552200000000 ] - [ 0.0001929600000000, 0.0003369600000000, -0.0000738800000000 ] - [ -0.0001762300000000, -0.0002286800000000, 0.0000586900000000 ] - [ 0.0003814600000000, 0.0000057100000000, -0.0000275500000000 ] - [ 0.0002049800000000, 0.0001381700000000, 0.0000514200000000 ] - [ 0.0000798700000000, -0.0002747200000000, 0.0002815400000000 ] - [ 0.0002435900000000, -0.0002799000000000, -0.0000023300000000 ] - [ -0.0000857100000000, 0.0003827200000000, 0.0002268100000000 ] - [ -0.0000504300000000, -0.0001741300000000, 0.0004909500000000 ] - [ -0.0001361600000000, -0.0004037700000000, 0.0003787100000000 ] - [ 0.0002982000000000, 0.0001790000000000, 0.0000362000000000 ]- atom: 41 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0001589300000000, -0.0001435900000000, 0.0001101800000000 ] - [ -0.0001742000000000, -0.0000664700000000, -0.0000873900000000 ] - [ 0.0001302400000000, 0.0000716400000000, 0.0001626100000000 ] - [ 0.0000380800000000, 0.0003736000000000, 0.0001180500000000 ] - [ 0.0006565900000000, 0.0004118100000000, -0.0014318700000000 ] - [ 0.0000410400000000, 0.0001149500000000, -0.0002434600000000 ] - [ -0.0004161100000000, -0.0003673300000000, -0.0003445000000000 ] - [ -0.0000829300000000, 0.0000809900000000, 0.0001046800000000 ] - [ 0.0004433100000000, 0.0002506800000000, -0.0008750600000000 ] - [ 0.0000673400000000, -0.0003187200000000, -0.0000496600000000 ] - [ -0.0001346800000000, 0.0000430500000000, 0.0002456200000000 ] - [ -0.0000514800000000, 0.0001915800000000, -0.0000919900000000 ] - [ -0.0001191700000000, 0.0002038500000000, 0.0001559100000000 ] - [ -0.0001660400000000, 0.0002298600000000, -0.0007214700000000 ] - [ 0.0000051700000000, -0.0000697700000000, -0.0001637400000000 ] - [ -0.0000005400000000, 0.0001468800000000, 0.0001184800000000 ] - [ 0.0014852200000000, 0.0067719300000000, 0.0035534100000000 ] - [ 0.0001058800000000, 0.0003240000000000, 0.0001627400000000 ] - [ 0.0000191700000000, 0.0000953100000000, -0.0001887800000000 ] - [ -0.0003142700000000, -0.0028081000000000, 0.0000446700000000 ] - [ 0.0000174600000000, 0.0001982100000000, -0.0001816700000000 ] - [ -0.0000760300000000, 0.0006714700000000, 0.0000493100000000 ] - [ 0.0005568000000000, -0.0001794400000000, -0.0002957900000000 ] - [ 0.0001085200000000, -0.0000906800000000, 0.0001228900000000 ] - [ -0.0004213600000000, -0.0005893400000000, -0.0001238400000000 ] - [ -0.0017128600000000, -0.0032005000000000, -0.0025395900000000 ] - [ 0.0000490200000000, 0.0002862900000000, -0.0011435800000000 ] - [ 0.0004342700000000, -0.0002133600000000, 0.0001776300000000 ] - [ 0.0000927000000000, 0.0003462400000000, -0.0003878500000000 ] - [ 0.0009844500000000, 0.0000308800000000, 0.0000357500000000 ] - [ -0.0003326200000000, 0.0003588800000000, -0.0001690100000000 ] - [ -0.0013598300000000, 0.0002143000000000, 0.0019380500000000 ] - [ 0.0601497800000000, -0.0242368500000000, 0.0308823900000000 ] - [ -0.0002719200000000, -0.0002727600000000, -0.0002830300000000 ] - [ 0.0000086600000000, -0.0001877300000000, -0.0003681700000000 ] - [ 0.0001039300000000, -0.0001497500000000, 0.0000041000000000 ] - [ 0.0000263200000000, 0.0001923800000000, -0.0004595900000000 ] - [ -0.0003965600000000, 0.0007348900000000, -0.0000800400000000 ] - [ -0.0007168600000000, 0.0001127300000000, -0.0003593900000000 ] - [ 0.0003249400000000, 0.0002754500000000, 0.0004682800000000 ] - [ -0.0740787600000000, 0.0259869000000000, -0.0381491500000000 ] - [ -0.0001458000000000, 0.0000616600000000, -0.0002124500000000 ] - [ 0.0003748300000000, -0.0003357800000000, 0.0000872200000000 ] - [ -0.0006555800000000, 0.0004880000000000, 0.0015243100000000 ] - [ -0.0001288800000000, 0.0000044400000000, 0.0002631500000000 ] - [ -0.0000853600000000, 0.0000670700000000, 0.0004165800000000 ] - [ -0.0001925900000000, -0.0004484600000000, 0.0002058000000000 ] - [ 0.0033363000000000, -0.0013921000000000, -0.0020527900000000 ] - [ -0.0005457700000000, -0.0010508300000000, 0.0003600600000000 ] - [ 0.0000724400000000, -0.0000397800000000, -0.0001528200000000 ] - [ 0.0032838500000000, -0.0020218400000000, 0.0002876000000000 ] - [ -0.0002013800000000, -0.0001563700000000, 0.0000118600000000 ] - [ -0.0000374100000000, 0.0000192600000000, 0.0006891700000000 ] - [ 0.0000011500000000, -0.0004435100000000, 0.0003465900000000 ] - [ 0.0002211100000000, -0.0004530500000000, -0.0004582500000000 ] - [ 0.0009070700000000, 0.0006353600000000, 0.0004839100000000 ] - [ 0.0004893400000000, 0.0000765600000000, -0.0006471800000000 ] - [ -0.0000155900000000, 0.0000106100000000, -0.0001742100000000 ] - [ 0.0001410500000000, 0.0001342800000000, 0.0000232800000000 ] - [ -0.0003305400000000, 0.0001280200000000, -0.0002590600000000 ] - [ 0.0001042100000000, -0.0002902000000000, 0.0001717300000000 ] - [ 0.0005214600000000, 0.0010823900000000, -0.0007275300000000 ] - [ 0.0002320700000000, 0.0001939100000000, -0.0001197000000000 ] - [ 0.0030887000000000, 0.0014929900000000, 0.0011306300000000 ] - [ 0.0001847300000000, -0.0000133400000000, -0.0000792100000000 ] - [ 0.0004601500000000, 0.0001154000000000, 0.0000272500000000 ] - [ 0.0000820200000000, 0.0001680900000000, -0.0000782700000000 ] - [ 0.0048809700000000, -0.0019921700000000, 0.0032222400000000 ] - [ -0.0022105400000000, 0.0007832100000000, -0.0004110300000000 ] - [ -0.0000081700000000, 0.0002645800000000, -0.0000160900000000 ] - [ -0.0003915400000000, -0.0001499500000000, 0.0004824200000000 ] - [ 0.0001981800000000, -0.0000880100000000, 0.0002207200000000 ] - [ 0.0000880500000000, -0.0000933100000000, -0.0001328700000000 ] - [ -0.0001520300000000, 0.0000535100000000, -0.0001847900000000 ] - [ 0.0002579500000000, -0.0000638700000000, 0.0001763300000000 ] - [ -0.0000087700000000, 0.0004381600000000, 0.0003306700000000 ] - [ -0.0000285800000000, 0.0000658800000000, 0.0004064700000000 ] - [ -0.0002121200000000, 0.0002096100000000, 0.0003696800000000 ] - [ -0.0002186300000000, -0.0004393200000000, 0.0000883300000000 ] - [ 0.0004738700000000, -0.0001626700000000, 0.0000509000000000 ] - [ 0.0000907300000000, -0.0002232800000000, -0.0000678500000000 ] - [ -0.0004355700000000, 0.0000348100000000, -0.0003775100000000 ] - [ -0.0001163000000000, -0.0000749100000000, 0.0002247100000000 ] - [ -0.0001113400000000, -0.0000490700000000, 0.0001628500000000 ] - [ 0.0001297300000000, 0.0001460600000000, 0.0000474000000000 ] - [ 0.0016792600000000, -0.0008493700000000, 0.0024373700000000 ] - [ 0.0000234000000000, -0.0003507500000000, -0.0003540900000000 ] - [ 0.0001350500000000, -0.0000238800000000, -0.0000040500000000 ] - [ -0.0003342100000000, -0.0002144700000000, -0.0002746800000000 ] - [ 0.0002347600000000, -0.0002636600000000, -0.0000973100000000 ] - [ -0.0004749400000000, 0.0002327300000000, 0.0011472000000000 ] - [ -0.0001629300000000, 0.0001481200000000, -0.0001636900000000 ] - [ 0.0000111300000000, -0.0000171300000000, 0.0000257800000000 ] - [ -0.0001011000000000, -0.0000553100000000, -0.0001715100000000 ] - [ 0.0002797400000000, -0.0021120100000000, 0.0013136400000000 ] - [ -0.0002103800000000, -0.0000212500000000, -0.0001546200000000 ] - [ 0.0004007100000000, -0.0000248500000000, 0.0000225500000000 ] - [ 0.0000860600000000, 0.0004246300000000, 0.0003181400000000 ] - [ -0.0000439100000000, 0.0004046800000000, -0.0002226200000000 ] - [ 0.0001588200000000, -0.0002358800000000, 0.0000189200000000 ] - [ -0.0001740400000000, 0.0004044600000000, 0.0001788100000000 ] - [ 0.0000768700000000, 0.0002786100000000, 0.0000891100000000 ] - [ -0.0000733600000000, -0.0002157000000000, 0.0003469500000000 ] - [ 0.0002378600000000, -0.0000253400000000, 0.0001677400000000 ]- atom: 41 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0000524000000000, -0.0002045500000000, 0.0001760700000000 ] - [ 0.0001041300000000, -0.0002558900000000, -0.0000351300000000 ] - [ -0.0001637900000000, -0.0003475400000000, 0.0000894100000000 ] - [ -0.0001036700000000, -0.0000526300000000, -0.0002409600000000 ] - [ -0.0008503700000000, -0.0000594900000000, 0.0017169700000000 ] - [ -0.0000502900000000, 0.0000747600000000, -0.0001549700000000 ] - [ 0.0004008500000000, 0.0001775200000000, -0.0000542000000000 ] - [ 0.0000471900000000, 0.0001919700000000, 0.0001446500000000 ] - [ -0.0006498100000000, -0.0005755300000000, 0.0011300000000000 ] - [ -0.0001356900000000, -0.0000032700000000, -0.0000743600000000 ] - [ 0.0001014300000000, -0.0003194600000000, 0.0000035800000000 ] - [ -0.0000144000000000, 0.0001290300000000, -0.0000299600000000 ] - [ -0.0000911700000000, 0.0001414600000000, 0.0001300300000000 ] - [ 0.0001598300000000, -0.0000371600000000, 0.0003251600000000 ] - [ -0.0000152100000000, -0.0001231200000000, -0.0002354400000000 ] - [ -0.0000360200000000, 0.0001270000000000, 0.0001331500000000 ] - [ -0.0012577100000000, -0.0065177400000000, -0.0038915300000000 ] - [ -0.0000355300000000, 0.0000187800000000, 0.0000867900000000 ] - [ 0.0001516500000000, -0.0003414800000000, -0.0001627700000000 ] - [ 0.0003691700000000, 0.0024935100000000, 0.0002082400000000 ] - [ 0.0001562100000000, 0.0000458300000000, -0.0001688700000000 ] - [ 0.0001456600000000, -0.0003260800000000, 0.0001996500000000 ] - [ -0.0003839600000000, -0.0000641400000000, -0.0000577100000000 ] - [ -0.0000407900000000, -0.0002578500000000, 0.0001266700000000 ] - [ -0.0004127500000000, -0.0007942000000000, -0.0000427600000000 ] - [ 0.0012030400000000, 0.0025755400000000, 0.0022725300000000 ] - [ -0.0001934900000000, -0.0005030900000000, 0.0003295600000000 ] - [ 0.0003264100000000, -0.0001912600000000, -0.0000256700000000 ] - [ -0.0002345600000000, -0.0001297300000000, -0.0004140400000000 ] - [ -0.0018201600000000, 0.0013575800000000, -0.0001985000000000 ] - [ -0.0001744000000000, 0.0002514600000000, -0.0000943300000000 ] - [ 0.0021102500000000, 0.0001720600000000, -0.0017702900000000 ] - [ -0.0630600600000000, 0.0242824900000000, -0.0325214200000000 ] - [ -0.0002338700000000, -0.0003405200000000, 0.0000216000000000 ] - [ -0.0001522600000000, -0.0000273500000000, -0.0004353900000000 ] - [ 0.0006544500000000, -0.0002541000000000, 0.0001484300000000 ] - [ -0.0001686400000000, 0.0000228100000000, -0.0003432300000000 ] - [ -0.0004378700000000, 0.0006464800000000, -0.0000875100000000 ] - [ 0.0002089100000000, 0.0004957900000000, 0.0000897200000000 ] - [ 0.0004351800000000, 0.0001263700000000, -0.0003277800000000 ] - [ 0.0763642400000000, -0.0276404600000000, 0.0395433700000000 ] - [ -0.0000574800000000, 0.0000256700000000, -0.0001030700000000 ] - [ 0.0000934400000000, 0.0002654700000000, 0.0002647100000000 ] - [ 0.0006542700000000, 0.0003935600000000, -0.0008923200000000 ] - [ -0.0001864300000000, 0.0000325200000000, 0.0002312700000000 ] - [ -0.0000770300000000, 0.0004016700000000, 0.0002857900000000 ] - [ -0.0001609700000000, -0.0003673300000000, 0.0001311600000000 ] - [ -0.0024780300000000, 0.0010849700000000, 0.0020749200000000 ] - [ 0.0007618600000000, 0.0006748900000000, -0.0004539000000000 ] - [ 0.0000694800000000, 0.0000902600000000, -0.0001180200000000 ] - [ -0.0035586600000000, 0.0019683800000000, 0.0002031200000000 ] - [ -0.0002317700000000, -0.0001111400000000, 0.0000176700000000 ] - [ 0.0001248100000000, 0.0000603500000000, -0.0006876800000000 ] - [ -0.0000009400000000, -0.0004373400000000, 0.0003002100000000 ] - [ -0.0002042100000000, -0.0000748700000000, 0.0004776900000000 ] - [ -0.0005582500000000, -0.0006181900000000, -0.0005809200000000 ] - [ -0.0010821100000000, -0.0003948400000000, 0.0001583800000000 ] - [ 0.0004786700000000, -0.0004439600000000, -0.0000569500000000 ] - [ 0.0001494700000000, 0.0002019600000000, 0.0000314400000000 ] - [ -0.0002698600000000, 0.0001925300000000, -0.0002309100000000 ] - [ -0.0000142800000000, 0.0002154800000000, -0.0001714300000000 ] - [ -0.0006871400000000, -0.0011728200000000, 0.0004160200000000 ] - [ 0.0002309800000000, 0.0002372700000000, -0.0001109000000000 ] - [ -0.0035321300000000, -0.0012240200000000, -0.0010926700000000 ] - [ 0.0001722400000000, 0.0000006400000000, -0.0000143000000000 ] - [ 0.0003949500000000, 0.0001866400000000, 0.0000169300000000 ] - [ 0.0001037700000000, 0.0002239100000000, -0.0000423200000000 ] - [ -0.0047665000000000, 0.0016940000000000, -0.0032157400000000 ] - [ 0.0018611100000000, 0.0000812000000000, 0.0007407200000000 ] - [ 0.0000226000000000, 0.0002619900000000, 0.0000437100000000 ] - [ 0.0002279200000000, -0.0003153600000000, 0.0002258400000000 ] - [ 0.0002722800000000, 0.0001603300000000, 0.0001281300000000 ] - [ 0.0000531500000000, 0.0000453900000000, -0.0001382900000000 ] - [ -0.0000502300000000, 0.0000332100000000, -0.0001300600000000 ] - [ 0.0002128600000000, -0.0000083800000000, 0.0001720100000000 ] - [ 0.0000088800000000, 0.0004428400000000, 0.0003158700000000 ] - [ -0.0002865700000000, -0.0000297400000000, 0.0000883600000000 ] - [ 0.0000490000000000, 0.0002600300000000, 0.0003326500000000 ] - [ -0.0001352600000000, -0.0003755200000000, 0.0002472800000000 ] - [ 0.0003804300000000, -0.0001379700000000, -0.0000071300000000 ] - [ 0.0000950300000000, -0.0001682900000000, -0.0000527900000000 ] - [ 0.0005779900000000, 0.0000119000000000, 0.0001086000000000 ] - [ -0.0002002900000000, 0.0000404400000000, 0.0002700500000000 ] - [ -0.0003214800000000, -0.0002210400000000, -0.0001304300000000 ] - [ -0.0000403700000000, -0.0000698300000000, -0.0000473800000000 ] - [ -0.0016701800000000, -0.0000195000000000, -0.0018357100000000 ] - [ -0.0000083500000000, -0.0001695100000000, 0.0003896300000000 ] - [ 0.0002225000000000, 0.0000384100000000, -0.0000898300000000 ] - [ -0.0002650500000000, -0.0001038100000000, -0.0002146000000000 ] - [ 0.0002278000000000, -0.0001655100000000, -0.0001340400000000 ] - [ 0.0007643600000000, 0.0001002200000000, -0.0011034100000000 ] - [ -0.0004368900000000, 0.0001711900000000, -0.0003255000000000 ] - [ 0.0000785000000000, -0.0000573100000000, -0.0000262000000000 ] - [ -0.0001006100000000, -0.0000322900000000, -0.0001428700000000 ] - [ 0.0001583400000000, 0.0025889700000000, -0.0015924500000000 ] - [ -0.0002225100000000, 0.0002972700000000, 0.0001877100000000 ] - [ -0.0000438300000000, 0.0000108900000000, -0.0001153200000000 ] - [ 0.0007657900000000, -0.0001290100000000, -0.0002811300000000 ] - [ 0.0002305000000000, -0.0000143900000000, 0.0001014900000000 ] - [ 0.0001315600000000, -0.0000979400000000, 0.0000363000000000 ] - [ -0.0001797900000000, 0.0004105100000000, 0.0001570400000000 ] - [ -0.0000614000000000, 0.0002475100000000, -0.0000615900000000 ] - [ -0.0000888600000000, -0.0002536700000000, 0.0003557200000000 ] - [ 0.0002331900000000, 0.0000973400000000, 0.0001806500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002308800000000, -0.0004623600000000, 0.0001516000000000 ] - [ -0.0005057700000000, -0.0003829000000000, -0.0000525400000000 ] - [ 0.0003112600000000, -0.0003092100000000, 0.0001439200000000 ] - [ -0.0000200800000000, 0.0000420200000000, -0.0001962500000000 ] - [ 0.0000320200000000, 0.0008081700000000, -0.0003518300000000 ] - [ 0.0001108300000000, -0.0002001400000000, -0.0001854100000000 ] - [ 0.0002509800000000, 0.0001005900000000, 0.0000464200000000 ] - [ 0.0000503700000000, 0.0000859900000000, -0.0000533600000000 ] - [ 0.0002054200000000, 0.0013841300000000, -0.0013756700000000 ] - [ -0.0003168700000000, -0.0006014400000000, -0.0003716500000000 ] - [ 0.0005072000000000, -0.0004034000000000, -0.0004152400000000 ] - [ 0.0000180000000000, 0.0000246400000000, 0.0000656500000000 ] - [ -0.0000670300000000, 0.0000087600000000, 0.0000862500000000 ] - [ 0.0003097400000000, 0.0004856600000000, -0.0001420300000000 ] - [ -0.0000217900000000, -0.0003043500000000, -0.0003138900000000 ] - [ -0.0000540600000000, 0.0000185600000000, 0.0001463700000000 ] - [ -0.0003707300000000, 0.0186672900000000, 0.0118055400000000 ] - [ 0.0001282800000000, -0.0002377200000000, 0.0001681000000000 ] - [ -0.0000180700000000, -0.0004706900000000, -0.0002474100000000 ] - [ -0.0011428200000000, 0.0012076900000000, -0.0003048500000000 ] - [ 0.0002958300000000, -0.0003243600000000, -0.0001256600000000 ] - [ 0.0000189800000000, 0.0003838800000000, 0.0003519600000000 ] - [ 0.0003283800000000, 0.0002712700000000, -0.0001024400000000 ] - [ -0.0001798800000000, -0.0006140700000000, 0.0001980600000000 ] - [ -0.0003599000000000, -0.0009671800000000, 0.0000175500000000 ] - [ 0.0006135900000000, 0.0005041700000000, 0.0010718500000000 ] - [ -0.0000140900000000, 0.0001424900000000, -0.0027780600000000 ] - [ 0.0005289600000000, -0.0004297800000000, 0.0000323300000000 ] - [ 0.0000946200000000, 0.0001885400000000, -0.0004174700000000 ] - [ -0.0008259200000000, 0.0013619900000000, 0.0000010000000000 ] - [ -0.0004921300000000, 0.0000911100000000, 0.0001518100000000 ] - [ 0.0001642900000000, -0.0005028200000000, -0.0001948900000000 ] - [ -0.0189881700000000, 0.0222593900000000, -0.0113180500000000 ] - [ -0.0002536100000000, -0.0007296400000000, 0.0001456600000000 ] - [ 0.0000301200000000, -0.0002201200000000, -0.0004612300000000 ] - [ 0.0007551500000000, -0.0003775900000000, 0.0003967100000000 ] - [ 0.0000986500000000, -0.0000622300000000, -0.0004463100000000 ] - [ -0.0004504700000000, 0.0004654800000000, -0.0001622100000000 ] - [ -0.0008957600000000, 0.0013080000000000, -0.0000023400000000 ] - [ 0.0006208700000000, -0.0004622000000000, -0.0016107000000000 ] - [ 0.0271072000000000, -0.0577049400000000, 0.0050164900000000 ] - [ -0.0002374200000000, 0.0000453700000000, -0.0002215800000000 ] - [ 0.0001200900000000, -0.0001826800000000, 0.0006637200000000 ] - [ 0.0001298200000000, 0.0005470400000000, 0.0000227100000000 ] - [ -0.0001337600000000, 0.0001683100000000, 0.0002577200000000 ] - [ -0.0000982400000000, 0.0002819800000000, 0.0003642900000000 ] - [ -0.0001216600000000, -0.0004185200000000, 0.0002115900000000 ] - [ -0.0013321700000000, 0.0005893000000000, 0.0014381700000000 ] - [ 0.0023373800000000, 0.0005692200000000, 0.0029030300000000 ] - [ 0.0001357800000000, 0.0002549900000000, -0.0001021200000000 ] - [ -0.0009197600000000, 0.0008274000000000, -0.0009287100000000 ] - [ -0.0001870800000000, 0.0001528900000000, -0.0001509800000000 ] - [ -0.0002973300000000, 0.0004580500000000, 0.0012126500000000 ] - [ -0.0000102700000000, -0.0004169000000000, 0.0003206700000000 ] - [ 0.0000307000000000, -0.0002486100000000, -0.0000596400000000 ] - [ -0.0005452500000000, -0.0002236800000000, -0.0003820900000000 ] - [ -0.0003862200000000, -0.0002308900000000, -0.0000331200000000 ] - [ 0.0003456700000000, -0.0006436400000000, -0.0000635300000000 ] - [ 0.0001333800000000, 0.0003702000000000, -0.0000048200000000 ] - [ -0.0003120000000000, 0.0002621500000000, -0.0002584400000000 ] - [ 0.0000151100000000, 0.0001360500000000, -0.0000549500000000 ] - [ 0.0036180700000000, 0.0026100100000000, -0.0006029400000000 ] - [ 0.0002635300000000, 0.0004473700000000, -0.0000647100000000 ] - [ -0.0014682100000000, -0.0004111500000000, -0.0001420800000000 ] - [ 0.0002736700000000, 0.0001702700000000, -0.0001778200000000 ] - [ 0.0004458200000000, 0.0002573400000000, -0.0000094200000000 ] - [ 0.0000834800000000, 0.0002630400000000, -0.0000437900000000 ] - [ 0.0004635800000000, -0.0034522600000000, -0.0001124800000000 ] - [ -0.0005387000000000, 0.0043662700000000, -0.0006840500000000 ] - [ -0.0000804300000000, 0.0004054600000000, 0.0000013000000000 ] - [ -0.0004217000000000, -0.0004943000000000, 0.0009851200000000 ] - [ 0.0001877400000000, 0.0001038600000000, 0.0003063600000000 ] - [ 0.0000018300000000, 0.0002139400000000, -0.0001725500000000 ] - [ -0.0001259100000000, -0.0000915300000000, -0.0001360700000000 ] - [ 0.0001822100000000, 0.0000599700000000, 0.0001689600000000 ] - [ -0.0000127500000000, 0.0004385900000000, 0.0003025500000000 ] - [ -0.0000473600000000, 0.0000454900000000, 0.0003734100000000 ] - [ -0.0002291400000000, 0.0003783200000000, 0.0003344100000000 ] - [ -0.0001143600000000, -0.0003481400000000, -0.0000204100000000 ] - [ 0.0003385500000000, 0.0000386200000000, -0.0000502200000000 ] - [ 0.0000789600000000, -0.0001259300000000, -0.0000662800000000 ] - [ 0.0000589500000000, -0.0003991900000000, -0.0001421000000000 ] - [ -0.0003249000000000, 0.0002714000000000, 0.0003276800000000 ] - [ -0.0001964800000000, -0.0004995200000000, 0.0000504300000000 ] - [ 0.0000781000000000, 0.0003649400000000, 0.0000619100000000 ] - [ -0.0023767400000000, 0.0005991400000000, -0.0007473100000000 ] - [ -0.0001664200000000, 0.0008133000000000, 0.0014012800000000 ] - [ 0.0002634200000000, 0.0002214100000000, -0.0001400800000000 ] - [ -0.0001443500000000, 0.0001545600000000, -0.0001098200000000 ] - [ 0.0002111300000000, -0.0000420300000000, -0.0001581800000000 ] - [ 0.0005536200000000, -0.0002274900000000, -0.0003754000000000 ] - [ -0.0002535000000000, 0.0001408600000000, -0.0001454700000000 ] - [ -0.0000012600000000, 0.0000019100000000, 0.0000219100000000 ] - [ -0.0000948100000000, -0.0000193400000000, -0.0001734400000000 ] - [ -0.0073949300000000, 0.0050621100000000, -0.0057901400000000 ] - [ -0.0001751400000000, 0.0010875600000000, 0.0001865000000000 ] - [ 0.0001407300000000, -0.0001382800000000, -0.0001803500000000 ] - [ 0.0007289600000000, 0.0006059100000000, 0.0016696100000000 ] - [ 0.0000508600000000, -0.0000259700000000, -0.0000242900000000 ] - [ 0.0001452700000000, 0.0000592400000000, 0.0000504000000000 ] - [ -0.0002064600000000, 0.0004348000000000, 0.0001384900000000 ] - [ -0.0000512600000000, 0.0003568700000000, -0.0001326100000000 ] - [ -0.0000259000000000, -0.0001367600000000, 0.0003879200000000 ] - [ 0.0002427500000000, 0.0000986100000000, 0.0001314000000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000219500000000, 0.0001174500000000, 0.0001350900000000 ] - [ 0.0004460100000000, 0.0000621900000000, -0.0000695900000000 ] - [ -0.0003519000000000, 0.0000329900000000, 0.0001079900000000 ] - [ -0.0000462300000000, 0.0002783500000000, 0.0000728300000000 ] - [ -0.0002380000000000, -0.0004655200000000, 0.0006402900000000 ] - [ -0.0001220300000000, 0.0003930400000000, -0.0002124600000000 ] - [ -0.0002650200000000, -0.0002934700000000, -0.0004460400000000 ] - [ -0.0000870100000000, 0.0001876500000000, 0.0003054600000000 ] - [ -0.0003983200000000, -0.0017138700000000, 0.0016165800000000 ] - [ 0.0002504000000000, 0.0002827700000000, 0.0002474300000000 ] - [ -0.0005417300000000, 0.0001300400000000, 0.0006651200000000 ] - [ -0.0000841500000000, 0.0002973000000000, -0.0001880000000000 ] - [ -0.0001436200000000, 0.0003385500000000, 0.0002000300000000 ] - [ -0.0003191300000000, -0.0002917400000000, -0.0002598000000000 ] - [ 0.0000121800000000, 0.0001138000000000, -0.0000846600000000 ] - [ 0.0000180900000000, 0.0002569500000000, 0.0001054700000000 ] - [ 0.0006722600000000, -0.0193265300000000, -0.0127492200000000 ] - [ -0.0000598200000000, 0.0005832600000000, 0.0000800800000000 ] - [ 0.0001907200000000, 0.0002256000000000, -0.0001033900000000 ] - [ 0.0012210600000000, -0.0015700700000000, 0.0005554700000000 ] - [ -0.0001232500000000, 0.0005720100000000, -0.0002255000000000 ] - [ 0.0000515200000000, -0.0000362900000000, -0.0000998100000000 ] - [ -0.0001614400000000, -0.0005123500000000, -0.0002416000000000 ] - [ 0.0002485300000000, 0.0002697900000000, 0.0000512600000000 ] - [ -0.0004749300000000, -0.0004149600000000, -0.0001847900000000 ] - [ -0.0011237400000000, -0.0011328700000000, -0.0013522000000000 ] - [ -0.0001432700000000, -0.0003591100000000, 0.0020163800000000 ] - [ 0.0002296000000000, 0.0000277900000000, 0.0001197000000000 ] - [ -0.0002413400000000, 0.0000228300000000, -0.0003844000000000 ] - [ -0.0000066200000000, 0.0000166600000000, -0.0001669800000000 ] - [ -0.0000101300000000, 0.0005218300000000, -0.0004190500000000 ] - [ 0.0006099900000000, 0.0009044500000000, 0.0003409100000000 ] - [ 0.0176171500000000, -0.0235234300000000, 0.0107718800000000 ] - [ -0.0002522500000000, 0.0001218500000000, -0.0004074800000000 ] - [ -0.0001735200000000, 0.0000093900000000, -0.0003422000000000 ] - [ 0.0000061500000000, -0.0000258100000000, -0.0002448800000000 ] - [ -0.0002426600000000, 0.0002786000000000, -0.0003549800000000 ] - [ -0.0003837600000000, 0.0009188100000000, -0.0000044900000000 ] - [ 0.0003948900000000, -0.0006926400000000, -0.0002481800000000 ] - [ 0.0001402900000000, 0.0008713300000000, 0.0017645400000000 ] - [ -0.0264759900000000, 0.0584020500000000, -0.0042999200000000 ] - [ 0.0000374900000000, 0.0000411500000000, -0.0000925400000000 ] - [ 0.0003511600000000, 0.0001151300000000, -0.0003209500000000 ] - [ -0.0001294000000000, 0.0003352300000000, 0.0006309900000000 ] - [ -0.0001822400000000, -0.0001324600000000, 0.0002373300000000 ] - [ -0.0000639700000000, 0.0001885200000000, 0.0003366900000000 ] - [ -0.0002321600000000, -0.0003957900000000, 0.0001244600000000 ] - [ 0.0022047900000000, -0.0008844400000000, -0.0014076000000000 ] - [ -0.0021707800000000, -0.0009666600000000, -0.0030403500000000 ] - [ 0.0000052600000000, -0.0002054900000000, -0.0001683800000000 ] - [ 0.0006197500000000, -0.0008734800000000, 0.0014533800000000 ] - [ -0.0002465300000000, -0.0004232900000000, 0.0001832700000000 ] - [ 0.0003942300000000, -0.0003915600000000, -0.0012318600000000 ] - [ 0.0000107200000000, -0.0004641200000000, 0.0003258800000000 ] - [ -0.0000159600000000, -0.0002738700000000, 0.0000888200000000 ] - [ 0.0008999800000000, 0.0002406900000000, 0.0002943900000000 ] - [ -0.0002143800000000, -0.0000864200000000, -0.0004567100000000 ] - [ 0.0001169900000000, 0.0002148500000000, -0.0001675400000000 ] - [ 0.0001576400000000, -0.0000354400000000, 0.0000605900000000 ] - [ -0.0002877800000000, 0.0000580300000000, -0.0002309900000000 ] - [ 0.0000753800000000, -0.0002093800000000, 0.0000546700000000 ] - [ -0.0038731500000000, -0.0027808300000000, 0.0003069000000000 ] - [ 0.0001993900000000, -0.0000185600000000, -0.0001662200000000 ] - [ 0.0010528700000000, 0.0007002200000000, 0.0001795700000000 ] - [ 0.0000820900000000, -0.0001841500000000, 0.0000869700000000 ] - [ 0.0004086300000000, 0.0000443700000000, 0.0000541800000000 ] - [ 0.0001029500000000, 0.0001285300000000, -0.0000763500000000 ] - [ -0.0001553900000000, 0.0030942600000000, 0.0001868100000000 ] - [ 0.0001532400000000, -0.0036092900000000, 0.0010513600000000 ] - [ 0.0000968200000000, 0.0001202500000000, 0.0000259400000000 ] - [ 0.0002760400000000, 0.0000584300000000, -0.0002816400000000 ] - [ 0.0002840200000000, -0.0000304200000000, 0.0000394000000000 ] - [ 0.0001396700000000, -0.0002639500000000, -0.0000977600000000 ] - [ -0.0000758200000000, 0.0001790400000000, -0.0001787600000000 ] - [ 0.0002889500000000, -0.0001332300000000, 0.0001794100000000 ] - [ 0.0000133300000000, 0.0004429500000000, 0.0003439900000000 ] - [ -0.0002674000000000, -0.0000094400000000, 0.0001216700000000 ] - [ 0.0000682100000000, 0.0000898100000000, 0.0003670400000000 ] - [ -0.0002384100000000, -0.0004671700000000, 0.0003561700000000 ] - [ 0.0005159500000000, -0.0003408000000000, 0.0000941400000000 ] - [ 0.0001072500000000, -0.0002656100000000, -0.0000538600000000 ] - [ 0.0000814100000000, 0.0004494900000000, -0.0001308600000000 ] - [ 0.0000091800000000, -0.0003076600000000, 0.0001669300000000 ] - [ -0.0002369400000000, 0.0002313500000000, -0.0000214400000000 ] - [ 0.0000115600000000, -0.0002925700000000, -0.0000628900000000 ] - [ 0.0023779800000000, -0.0014776900000000, 0.0013845600000000 ] - [ 0.0001799700000000, -0.0013560200000000, -0.0013769900000000 ] - [ 0.0000944200000000, -0.0002087900000000, 0.0000466700000000 ] - [ -0.0004551000000000, -0.0004745000000000, -0.0003787000000000 ] - [ 0.0002518100000000, -0.0003883300000000, -0.0000726700000000 ] - [ -0.0002620100000000, 0.0005643100000000, 0.0004295000000000 ] - [ -0.0003442300000000, 0.0001795200000000, -0.0003414600000000 ] - [ 0.0000916900000000, -0.0000771700000000, -0.0000225600000000 ] - [ -0.0001071200000000, -0.0000675600000000, -0.0001403800000000 ] - [ 0.0077595200000000, -0.0044771300000000, 0.0054852000000000 ] - [ -0.0002579100000000, -0.0008172700000000, -0.0001556000000000 ] - [ 0.0002152300000000, 0.0001244900000000, 0.0000852400000000 ] - [ 0.0001298200000000, -0.0002998900000000, -0.0016103700000000 ] - [ 0.0001345300000000, 0.0004192200000000, -0.0000974200000000 ] - [ 0.0001453400000000, -0.0003947200000000, 0.0000052500000000 ] - [ -0.0001468200000000, 0.0003798200000000, 0.0001976100000000 ] - [ 0.0000659200000000, 0.0001680500000000, 0.0001597700000000 ] - [ -0.0001366100000000, -0.0003333900000000, 0.0003144000000000 ] - [ 0.0002279600000000, -0.0000278600000000, 0.0002167500000000 ]- atom: 41 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0000112000000000, -0.0001402300000000, 0.0001775500000000 ] - [ 0.0001628200000000, -0.0001731900000000, -0.0000275000000000 ] - [ -0.0001483100000000, -0.0001363700000000, 0.0001552500000000 ] - [ -0.0000189400000000, -0.0001217800000000, -0.0002140200000000 ] - [ -0.0011925800000000, -0.0007860500000000, 0.0026527300000000 ] - [ -0.0000885400000000, 0.0001397600000000, -0.0001513500000000 ] - [ 0.0000015000000000, -0.0001634600000000, -0.0003810700000000 ] - [ -0.0000154500000000, -0.0001523600000000, -0.0000249600000000 ] - [ -0.0013897300000000, -0.0019630500000000, 0.0036784700000000 ] - [ -0.0000600200000000, -0.0001786400000000, -0.0001276200000000 ] - [ 0.0000259400000000, -0.0001251400000000, 0.0000482300000000 ] - [ -0.0000369400000000, 0.0002061400000000, -0.0000184800000000 ] - [ -0.0001098500000000, 0.0001993000000000, 0.0001381200000000 ] - [ -0.0003001200000000, 0.0002037900000000, 0.0001849300000000 ] - [ 0.0000009800000000, -0.0000643300000000, -0.0002289100000000 ] - [ -0.0000051700000000, 0.0001710300000000, 0.0001410800000000 ] - [ 0.0002857600000000, 0.0103825300000000, 0.0085590600000000 ] - [ -0.0000188400000000, 0.0001613900000000, 0.0000636400000000 ] - [ 0.0001294600000000, -0.0001470100000000, -0.0001768500000000 ] - [ -0.0002596600000000, 0.0002585000000000, 0.0018574000000000 ] - [ 0.0001461200000000, 0.0001724000000000, -0.0001891700000000 ] - [ -0.0000388700000000, 0.0008575900000000, -0.0001153000000000 ] - [ 0.0003302800000000, 0.0001348400000000, -0.0002786800000000 ] - [ -0.0000328200000000, -0.0001111100000000, 0.0001202900000000 ] - [ -0.0004322300000000, -0.0006960400000000, -0.0000710000000000 ] - [ 0.0013601900000000, 0.0013515700000000, 0.0025028600000000 ] - [ -0.0000996700000000, -0.0006735200000000, 0.0014102100000000 ] - [ 0.0003019400000000, -0.0002230600000000, 0.0001432400000000 ] - [ -0.0001140100000000, -0.0000529800000000, -0.0004568800000000 ] - [ 0.0008922500000000, 0.0003133700000000, -0.0003245300000000 ] - [ -0.0001173600000000, 0.0003212800000000, -0.0002526700000000 ] - [ 0.0003959700000000, 0.0000004900000000, 0.0006054100000000 ] - [ 0.0098961400000000, -0.0057474000000000, 0.0224311700000000 ] - [ -0.0002533900000000, -0.0002348100000000, 0.0000961200000000 ] - [ -0.0000874300000000, 0.0000244200000000, -0.0004859100000000 ] - [ 0.0003460700000000, -0.0002637500000000, -0.0000060100000000 ] - [ 0.0000125800000000, 0.0001682400000000, -0.0004899600000000 ] - [ -0.0004228500000000, 0.0007310400000000, -0.0000782700000000 ] - [ -0.0004969700000000, 0.0010169100000000, -0.0000187700000000 ] - [ 0.0004105700000000, 0.0002350000000000, -0.0002513300000000 ] - [ -0.0118189700000000, -0.0042700700000000, -0.0431882700000000 ] - [ -0.0000712000000000, 0.0000294000000000, -0.0001341700000000 ] - [ 0.0000385100000000, 0.0005254200000000, -0.0001806600000000 ] - [ -0.0005049300000000, 0.0005006700000000, 0.0001653700000000 ] - [ -0.0001534100000000, 0.0000146900000000, 0.0002449000000000 ] - [ -0.0000821200000000, 0.0002909200000000, 0.0003729200000000 ] - [ -0.0001877800000000, -0.0003974200000000, 0.0001742300000000 ] - [ -0.0027439900000000, 0.0012062700000000, 0.0019174900000000 ] - [ 0.0018365000000000, -0.0006580300000000, 0.0013027800000000 ] - [ 0.0000525700000000, 0.0000158300000000, -0.0001248400000000 ] - [ -0.0001812500000000, -0.0002356600000000, -0.0001523400000000 ] - [ -0.0002395500000000, -0.0001700800000000, 0.0000650600000000 ] - [ 0.0001750200000000, -0.0003529500000000, -0.0010755300000000 ] - [ 0.0000011000000000, -0.0004440000000000, 0.0003201400000000 ] - [ -0.0000739700000000, -0.0001719700000000, -0.0000793200000000 ] - [ -0.0002475200000000, -0.0003117800000000, -0.0010216700000000 ] - [ -0.0004588700000000, -0.0000929200000000, -0.0004315400000000 ] - [ 0.0000606000000000, -0.0002392400000000, 0.0000372700000000 ] - [ 0.0001532000000000, 0.0001420700000000, 0.0000425500000000 ] - [ -0.0002894900000000, 0.0001903000000000, -0.0002361800000000 ] - [ 0.0001092400000000, 0.0000085700000000, 0.0000428500000000 ] - [ -0.0016295100000000, -0.0021444400000000, -0.0005429600000000 ] - [ 0.0002328000000000, 0.0001721700000000, -0.0001299400000000 ] - [ -0.0008650300000000, -0.0006232500000000, -0.0008656000000000 ] - [ 0.0001272700000000, -0.0000370700000000, 0.0000358900000000 ] - [ 0.0004160900000000, 0.0001556500000000, 0.0000388800000000 ] - [ 0.0001073100000000, 0.0001870100000000, -0.0000452600000000 ] - [ -0.0021625100000000, 0.0005183500000000, -0.0031362000000000 ] - [ 0.0022941700000000, 0.0016582700000000, -0.0005751200000000 ] - [ 0.0000478600000000, 0.0003215200000000, -0.0000263300000000 ] - [ -0.0000109100000000, 0.0001382100000000, -0.0001121300000000 ] - [ 0.0002606600000000, 0.0001125000000000, 0.0001363500000000 ] - [ 0.0000665400000000, -0.0000389000000000, -0.0001261200000000 ] - [ -0.0001411500000000, 0.0001053100000000, -0.0001227000000000 ] - [ 0.0002269400000000, -0.0000739200000000, 0.0001908500000000 ] - [ 0.0000039700000000, 0.0004477900000000, 0.0003089000000000 ] - [ -0.0000834600000000, 0.0000501000000000, 0.0004300800000000 ] - [ -0.0001626000000000, 0.0002370200000000, 0.0003763400000000 ] - [ -0.0001245900000000, -0.0004746900000000, 0.0001783400000000 ] - [ 0.0003853600000000, -0.0001773700000000, -0.0000094900000000 ] - [ 0.0000949500000000, -0.0001996500000000, -0.0000499900000000 ] - [ 0.0000042900000000, 0.0000271600000000, 0.0001006800000000 ] - [ -0.0001897100000000, -0.0000203400000000, 0.0002666400000000 ] - [ -0.0002116100000000, -0.0002502400000000, 0.0000335600000000 ] - [ -0.0000209800000000, -0.0001536800000000, -0.0000615900000000 ] - [ 0.0073243300000000, -0.0013484000000000, 0.0036969500000000 ] - [ -0.0000149100000000, -0.0002039800000000, 0.0002911800000000 ] - [ 0.0002279200000000, -0.0000277700000000, -0.0000815100000000 ] - [ -0.0002719400000000, -0.0001533800000000, -0.0002195100000000 ] - [ 0.0002389500000000, -0.0002173000000000, -0.0001117500000000 ] - [ -0.0012045300000000, 0.0002243100000000, 0.0014861300000000 ] - [ -0.0000283200000000, 0.0001834600000000, -0.0000501000000000 ] - [ 0.0000192600000000, -0.0000896200000000, 0.0000742300000000 ] - [ -0.0001148500000000, -0.0000317400000000, -0.0001427000000000 ] - [ 0.0000242100000000, 0.0001364300000000, -0.0025912000000000 ] - [ -0.0002198200000000, 0.0001619500000000, 0.0000928600000000 ] - [ 0.0003175900000000, -0.0001482600000000, 0.0000585400000000 ] - [ 0.0005871400000000, 0.0008393200000000, 0.0015284400000000 ] - [ -0.0000170900000000, 0.0001217000000000, 0.0001429800000000 ] - [ 0.0001336000000000, -0.0001736900000000, 0.0000310900000000 ] - [ -0.0001601700000000, 0.0003952800000000, 0.0001693200000000 ] - [ 0.0000402000000000, 0.0001933800000000, 0.0001027700000000 ] - [ -0.0000862500000000, -0.0002712000000000, 0.0003684800000000 ] - [ 0.0002172600000000, -0.0000033500000000, 0.0002031700000000 ]- atom: 41 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0001987800000000, -0.0002049600000000, 0.0001088500000000 ] - [ -0.0002283000000000, -0.0001483000000000, -0.0000958500000000 ] - [ 0.0001122700000000, -0.0001364200000000, 0.0000963000000000 ] - [ -0.0000460300000000, 0.0004426200000000, 0.0000904200000000 ] - [ 0.0009628100000000, 0.0010934500000000, -0.0022589400000000 ] - [ 0.0000783000000000, 0.0000528400000000, -0.0002471800000000 ] - [ -0.0000175500000000, -0.0000279200000000, -0.0000212300000000 ] - [ -0.0000215100000000, 0.0004272700000000, 0.0002764300000000 ] - [ 0.0012468600000000, 0.0017082300000000, -0.0035164300000000 ] - [ -0.0000042100000000, -0.0001414500000000, 0.0000061600000000 ] - [ -0.0000654200000000, -0.0001472000000000, 0.0002067600000000 ] - [ -0.0000292600000000, 0.0001154600000000, -0.0001055600000000 ] - [ -0.0001005400000000, 0.0001471800000000, 0.0001487500000000 ] - [ 0.0002902900000000, -0.0000128500000000, -0.0005878800000000 ] - [ -0.0000108700000000, -0.0001269800000000, -0.0001687700000000 ] - [ -0.0000308800000000, 0.0001033400000000, 0.0001095700000000 ] - [ -0.0001338100000000, -0.0103975200000000, -0.0088918000000000 ] - [ 0.0000888400000000, 0.0001848200000000, 0.0001857600000000 ] - [ 0.0000419400000000, -0.0000962900000000, -0.0001741600000000 ] - [ 0.0003292800000000, -0.0006151900000000, -0.0016101500000000 ] - [ 0.0000245000000000, 0.0000750000000000, -0.0001620100000000 ] - [ 0.0001067900000000, -0.0005097700000000, 0.0003637400000000 ] - [ -0.0001544700000000, -0.0003791300000000, -0.0000717000000000 ] - [ 0.0001035500000000, -0.0002336800000000, 0.0001288200000000 ] - [ -0.0004028600000000, -0.0006893900000000, -0.0000969700000000 ] - [ -0.0018611400000000, -0.0019853400000000, -0.0027839100000000 ] - [ -0.0000480800000000, 0.0004598900000000, -0.0022008200000000 ] - [ 0.0004573900000000, -0.0001817000000000, 0.0000083200000000 ] - [ -0.0000291600000000, 0.0002641300000000, -0.0003441700000000 ] - [ -0.0017197000000000, 0.0010712900000000, 0.0001519800000000 ] - [ -0.0003879500000000, 0.0002931700000000, -0.0000119500000000 ] - [ 0.0003456700000000, 0.0003903400000000, -0.0004334500000000 ] - [ -0.0106830800000000, 0.0043041400000000, -0.0223450100000000 ] - [ -0.0002524100000000, -0.0003773100000000, -0.0003621300000000 ] - [ -0.0000563600000000, -0.0002357400000000, -0.0003155200000000 ] - [ 0.0004130700000000, -0.0001434400000000, 0.0001592400000000 ] - [ -0.0001555700000000, 0.0000447400000000, -0.0003136100000000 ] - [ -0.0004117400000000, 0.0006564200000000, -0.0000890100000000 ] - [ -0.0000072400000000, -0.0003952100000000, -0.0002398100000000 ] - [ 0.0003479800000000, 0.0001743100000000, 0.0004120000000000 ] - [ 0.0118855500000000, 0.0045155900000000, 0.0428186100000000 ] - [ -0.0001306200000000, 0.0000546600000000, -0.0001820800000000 ] - [ 0.0004335700000000, -0.0005964000000000, 0.0005284600000000 ] - [ 0.0005000500000000, 0.0003841400000000, 0.0004898300000000 ] - [ -0.0001623900000000, 0.0000206000000000, 0.0002478300000000 ] - [ -0.0000814100000000, 0.0001747600000000, 0.0003292900000000 ] - [ -0.0001664700000000, -0.0004148700000000, 0.0001604800000000 ] - [ 0.0036294300000000, -0.0015140300000000, -0.0018908100000000 ] - [ -0.0016755100000000, 0.0002645400000000, -0.0014474600000000 ] - [ 0.0000870500000000, 0.0000352500000000, -0.0001471400000000 ] - [ -0.0001136300000000, 0.0001911500000000, 0.0006205500000000 ] - [ -0.0001935100000000, -0.0000982900000000, -0.0000344300000000 ] - [ -0.0000839500000000, 0.0004214100000000, 0.0010680100000000 ] - [ -0.0000008200000000, -0.0004403200000000, 0.0003276200000000 ] - [ 0.0000930300000000, -0.0003525400000000, 0.0000984400000000 ] - [ 0.0006059000000000, 0.0003263000000000, 0.0009320300000000 ] - [ -0.0001354500000000, -0.0002211000000000, -0.0000627300000000 ] - [ 0.0004017300000000, -0.0001928300000000, -0.0002675100000000 ] - [ 0.0001398500000000, 0.0001952700000000, 0.0000134200000000 ] - [ -0.0003097900000000, 0.0001290600000000, -0.0002552100000000 ] - [ -0.0000184200000000, -0.0000835000000000, -0.0000429300000000 ] - [ 0.0014328200000000, 0.0020338100000000, 0.0002109400000000 ] - [ 0.0002301700000000, 0.0002588700000000, -0.0001003300000000 ] - [ 0.0004328400000000, 0.0009032400000000, 0.0008998500000000 ] - [ 0.0002298100000000, 0.0000246600000000, -0.0001266800000000 ] - [ 0.0004384800000000, 0.0001470000000000, 0.0000068400000000 ] - [ 0.0000794100000000, 0.0002015300000000, -0.0000737500000000 ] - [ 0.0024506100000000, -0.0008675200000000, 0.0031932600000000 ] - [ -0.0026334700000000, -0.0007873100000000, 0.0009108800000000 ] - [ -0.0000320700000000, 0.0002025800000000, 0.0000536300000000 ] - [ -0.0001526900000000, -0.0006006200000000, 0.0008153300000000 ] - [ 0.0002113200000000, -0.0000427400000000, 0.0002124600000000 ] - [ 0.0000736000000000, -0.0000132300000000, -0.0001456500000000 ] - [ -0.0000605900000000, -0.0000207400000000, -0.0001935800000000 ] - [ 0.0002453200000000, 0.0000030400000000, 0.0001581900000000 ] - [ -0.0000037800000000, 0.0004365800000000, 0.0003390500000000 ] - [ -0.0002297900000000, -0.0000126400000000, 0.0000666300000000 ] - [ -0.0000023000000000, 0.0002306000000000, 0.0003260900000000 ] - [ -0.0002291400000000, -0.0003387800000000, 0.0001560700000000 ] - [ 0.0004699300000000, -0.0001263000000000, 0.0000556700000000 ] - [ 0.0000917200000000, -0.0001894400000000, -0.0000689500000000 ] - [ 0.0001327700000000, 0.0000235800000000, -0.0003714100000000 ] - [ -0.0001252100000000, -0.0000167300000000, 0.0002255000000000 ] - [ -0.0002224300000000, -0.0000160900000000, -0.0000047800000000 ] - [ 0.0001123700000000, 0.0002271000000000, 0.0000610600000000 ] - [ -0.0074004600000000, 0.0004681800000000, -0.0031626600000000 ] - [ 0.0000314000000000, -0.0003279800000000, -0.0002707100000000 ] - [ 0.0001291300000000, 0.0000391900000000, -0.0000091400000000 ] - [ -0.0003280000000000, -0.0001672900000000, -0.0002726900000000 ] - [ 0.0002239500000000, -0.0002152900000000, -0.0001185400000000 ] - [ 0.0014954000000000, 0.0001148700000000, -0.0014142700000000 ] - [ -0.0005676300000000, 0.0001370500000000, -0.0004384500000000 ] - [ 0.0000708100000000, 0.0000169500000000, -0.0000746900000000 ] - [ -0.0000867300000000, -0.0000531900000000, -0.0001728200000000 ] - [ 0.0004787800000000, 0.0002665300000000, 0.0023611000000000 ] - [ -0.0002131100000000, 0.0001016900000000, -0.0000626000000000 ] - [ 0.0000416800000000, 0.0001355800000000, -0.0001478800000000 ] - [ 0.0002671800000000, -0.0005267500000000, -0.0014638400000000 ] - [ 0.0002026600000000, 0.0002666300000000, -0.0002627200000000 ] - [ 0.0001593900000000, -0.0001648000000000, 0.0000249700000000 ] - [ -0.0001938200000000, 0.0004168300000000, 0.0001653100000000 ] - [ -0.0000247900000000, 0.0003317900000000, -0.0000761000000000 ] - [ -0.0000775700000000, -0.0001958600000000, 0.0003338700000000 ] - [ 0.0002552200000000, 0.0000737400000000, 0.0001461700000000 ]- atom: 42 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0000813200000000, -0.0003019800000000, -0.0000501300000000 ] - [ -0.0005865900000000, -0.0001539800000000, 0.0003229500000000 ] - [ 0.0006364600000000, -0.0001038500000000, 0.0000738600000000 ] - [ 0.0072250900000000, -0.0021742200000000, 0.0007965400000000 ] - [ -0.0000632600000000, 0.0002568300000000, 0.0002112100000000 ] - [ -0.0000351800000000, 0.0000413300000000, -0.0002388300000000 ] - [ -0.0000398600000000, -0.0001953200000000, -0.0001739500000000 ] - [ 0.0031223000000000, 0.0007796300000000, -0.0008270800000000 ] - [ -0.0000595800000000, -0.0001448600000000, 0.0001363200000000 ] - [ -0.0000159100000000, -0.0001339000000000, -0.0000493500000000 ] - [ -0.0000354100000000, -0.0001100700000000, 0.0001291200000000 ] - [ -0.0000517400000000, 0.0002468200000000, -0.0000802300000000 ] - [ -0.0001996800000000, 0.0002383500000000, 0.0003500000000000 ] - [ -0.0000353300000000, 0.0000942600000000, -0.0002119800000000 ] - [ -0.0000037500000000, -0.0001339100000000, -0.0002591200000000 ] - [ 0.0000275500000000, 0.0001282200000000, 0.0000950800000000 ] - [ 0.0005889900000000, 0.0003246000000000, 0.0000066200000000 ] - [ -0.0012886000000000, 0.0003964700000000, -0.0009792300000000 ] - [ -0.0010616700000000, -0.0000489600000000, 0.0006881300000000 ] - [ -0.0007420100000000, 0.0008710400000000, 0.0004555400000000 ] - [ 0.0001859800000000, 0.0001514000000000, -0.0001887600000000 ] - [ 0.0000017700000000, 0.0002364700000000, 0.0001223400000000 ] - [ 0.0001117600000000, -0.0000741200000000, -0.0001648500000000 ] - [ 0.0000005500000000, -0.0001657700000000, 0.0001479500000000 ] - [ -0.0003919500000000, -0.0006051900000000, -0.0000795500000000 ] - [ -0.0001070300000000, -0.0004535500000000, 0.0001111300000000 ] - [ 0.0015556400000000, -0.0015836800000000, -0.0008909700000000 ] - [ -0.0006167000000000, 0.0000129800000000, -0.0000019100000000 ] - [ 0.0072211100000000, -0.0007320500000000, -0.0025027500000000 ] - [ -0.0003373800000000, 0.0007410700000000, -0.0000532700000000 ] - [ -0.0008424200000000, 0.0001775600000000, -0.0001431600000000 ] - [ 0.0000429700000000, -0.0011363800000000, -0.0004339800000000 ] - [ -0.0005047100000000, -0.0006326000000000, 0.0000364100000000 ] - [ -0.0003782800000000, -0.0004184500000000, -0.0002917600000000 ] - [ -0.0000407600000000, -0.0000832200000000, -0.0004158200000000 ] - [ 0.0003845700000000, -0.0001509400000000, -0.0000487900000000 ] - [ -0.0000525200000000, 0.0001268000000000, -0.0004040100000000 ] - [ 0.0027177300000000, 0.0011462000000000, 0.0005722500000000 ] - [ -0.0002019000000000, 0.0002813200000000, -0.0000525300000000 ] - [ 0.0003946700000000, 0.0002441400000000, 0.0001633400000000 ] - [ 0.0000253000000000, -0.0001638700000000, -0.0001197000000000 ] - [ -0.0300846300000000, 0.0036913200000000, -0.0010886500000000 ] - [ -0.0000909800000000, 0.0007316100000000, 0.0031455300000000 ] - [ 0.0000062600000000, 0.0004398200000000, 0.0003377900000000 ] - [ 0.0001665500000000, -0.0000841900000000, 0.0006560900000000 ] - [ 0.0025568800000000, -0.0011510800000000, -0.0080754000000000 ] - [ 0.0075271900000000, -0.0012114100000000, 0.0001262400000000 ] - [ 0.0003468400000000, -0.0001522000000000, -0.0001456000000000 ] - [ 0.0001224800000000, -0.0002801700000000, 0.0000299800000000 ] - [ 0.0006782700000000, -0.0037142900000000, -0.0015420500000000 ] - [ -0.0005289600000000, 0.0003974400000000, 0.0004265800000000 ] - [ -0.0001216600000000, 0.0000315800000000, 0.0000178200000000 ] - [ -0.0000925900000000, 0.0002341500000000, 0.0000184800000000 ] - [ -0.0000756000000000, -0.0004474000000000, 0.0005830900000000 ] - [ 0.0001975800000000, 0.0007122200000000, 0.0007468100000000 ] - [ 0.0004929900000000, 0.0002372500000000, 0.0000930600000000 ] - [ 0.0000077600000000, -0.0000116500000000, -0.0004147500000000 ] - [ 0.0003779900000000, -0.0002979300000000, -0.0001059500000000 ] - [ 0.0003074800000000, 0.0013595400000000, 0.0004741700000000 ] - [ 0.0001715300000000, 0.0000702100000000, -0.0004408000000000 ] - [ 0.0007083900000000, 0.0002128000000000, 0.0002286300000000 ] - [ -0.0007753900000000, 0.0000210700000000, -0.0002441100000000 ] - [ 0.0001738200000000, 0.0001985000000000, -0.0001268900000000 ] - [ -0.0002478700000000, 0.0002285500000000, -0.0000560300000000 ] - [ 0.0005855600000000, -0.0000042000000000, 0.0001086000000000 ] - [ 0.0009319200000000, 0.0001228300000000, -0.0000144900000000 ] - [ -0.0003566400000000, 0.0000704700000000, 0.0001856400000000 ] - [ 0.0002533200000000, -0.0001966400000000, 0.0000369700000000 ] - [ -0.0000760100000000, 0.0006178200000000, 0.0001995300000000 ] - [ 0.0000447700000000, 0.0002626200000000, 0.0001457400000000 ] - [ -0.0004613300000000, -0.0002210800000000, 0.0004837100000000 ] - [ 0.0013671600000000, 0.0019888100000000, 0.0076043500000000 ] - [ 0.0000189700000000, -0.0000506400000000, -0.0001961300000000 ] - [ -0.0001014800000000, 0.0000484600000000, -0.0001593300000000 ] - [ 0.0002442800000000, -0.0000266200000000, 0.0001711600000000 ] - [ -0.0004632700000000, 0.0003985500000000, 0.0003183900000000 ] - [ -0.0001761200000000, -0.0000022100000000, 0.0002557200000000 ] - [ -0.0000725800000000, 0.0002070100000000, 0.0003548400000000 ] - [ -0.0001864600000000, -0.0004179400000000, 0.0001623900000000 ] - [ 0.0004419700000000, -0.0001021800000000, 0.0000788300000000 ] - [ 0.0000995100000000, -0.0002293500000000, -0.0001548900000000 ] - [ 0.0000693600000000, 0.0000192900000000, -0.0001508700000000 ] - [ -0.0001186300000000, -0.0000406200000000, 0.0002689200000000 ] - [ -0.0002416100000000, -0.0000935200000000, 0.0000070500000000 ] - [ 0.0000318900000000, -0.0000081100000000, 0.0000065900000000 ] - [ -0.0000920800000000, -0.0005094800000000, 0.0003468300000000 ] - [ 0.0000066800000000, -0.0002762600000000, -0.0000032900000000 ] - [ 0.0001853000000000, 0.0000183700000000, -0.0000221100000000 ] - [ -0.0003029200000000, -0.0001673900000000, -0.0002335300000000 ] - [ -0.0006855700000000, -0.0004879900000000, -0.0003432900000000 ] - [ 0.0001387300000000, 0.0001322600000000, 0.0000356300000000 ] - [ -0.0002850000000000, 0.0001337200000000, -0.0002385400000000 ] - [ 0.0000761400000000, -0.0000622900000000, 0.0000112000000000 ] - [ -0.0001124800000000, -0.0000402500000000, -0.0001526000000000 ] - [ 0.0002515800000000, 0.0001659000000000, -0.0001994400000000 ] - [ -0.0002035700000000, 0.0002249000000000, 0.0001062600000000 ] - [ 0.0001971800000000, -0.0000006600000000, -0.0000503800000000 ] - [ 0.0004102400000000, 0.0001339400000000, 0.0000100800000000 ] - [ 0.0000951000000000, 0.0001923200000000, -0.0000638700000000 ] - [ 0.0002242600000000, -0.0001733800000000, -0.0000673400000000 ] - [ -0.0001738500000000, 0.0004033400000000, 0.0001368200000000 ] - [ 0.0000218700000000, 0.0001865700000000, 0.0000867100000000 ] - [ -0.0001134400000000, -0.0002427900000000, 0.0003546000000000 ] - [ 0.0002340000000000, 0.0000160700000000, 0.0001724300000000 ]- atom: 42 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0001334300000000, -0.0000410600000000, 0.0003325300000000 ] - [ 0.0005181100000000, -0.0001690500000000, -0.0004455700000000 ] - [ -0.0006713000000000, -0.0001716100000000, 0.0001773200000000 ] - [ -0.0075325700000000, 0.0026044800000000, -0.0009374700000000 ] - [ -0.0001443200000000, 0.0000899000000000, 0.0000755000000000 ] - [ 0.0000259800000000, 0.0001497800000000, -0.0001598600000000 ] - [ 0.0000264100000000, 0.0000035500000000, -0.0002241100000000 ] - [ -0.0030287300000000, -0.0004593100000000, 0.0010561900000000 ] - [ -0.0001505100000000, -0.0002017400000000, 0.0001502100000000 ] - [ -0.0000500500000000, -0.0001875100000000, -0.0000736100000000 ] - [ -0.0000011000000000, -0.0001643100000000, 0.0001221200000000 ] - [ -0.0000141200000000, 0.0000736300000000, -0.0000424200000000 ] - [ -0.0000100300000000, 0.0001076300000000, -0.0000653600000000 ] - [ 0.0000248100000000, 0.0000962300000000, -0.0001862600000000 ] - [ -0.0000064600000000, -0.0000577100000000, -0.0001399700000000 ] - [ -0.0000643000000000, 0.0001452700000000, 0.0001567600000000 ] - [ -0.0004127800000000, -0.0000773500000000, -0.0003590700000000 ] - [ 0.0013625000000000, -0.0000550400000000, 0.0012221900000000 ] - [ 0.0012242500000000, -0.0002010000000000, -0.0010455400000000 ] - [ 0.0008031500000000, -0.0012000600000000, -0.0002091600000000 ] - [ -0.0000152100000000, 0.0000943200000000, -0.0001621700000000 ] - [ 0.0000676500000000, 0.0001082300000000, 0.0001270100000000 ] - [ 0.0000601100000000, -0.0001710300000000, -0.0001863500000000 ] - [ 0.0000696300000000, -0.0001802900000000, 0.0001012500000000 ] - [ -0.0004427400000000, -0.0007760600000000, -0.0000885900000000 ] - [ -0.0003846200000000, -0.0001528100000000, -0.0003810500000000 ] - [ -0.0016688000000000, 0.0013602700000000, 0.0000741800000000 ] - [ 0.0013731200000000, -0.0004316400000000, 0.0001555600000000 ] - [ -0.0074060700000000, 0.0009587300000000, 0.0020339100000000 ] - [ -0.0004967700000000, 0.0006446400000000, -0.0001141500000000 ] - [ 0.0003363600000000, 0.0004396600000000, -0.0001200700000000 ] - [ 0.0007119600000000, 0.0015500000000000, 0.0005780400000000 ] - [ -0.0003309100000000, -0.0007533500000000, -0.0002028200000000 ] - [ -0.0001268600000000, -0.0001940400000000, 0.0000265400000000 ] - [ -0.0001031500000000, -0.0001305800000000, -0.0003863100000000 ] - [ 0.0003747000000000, -0.0002540400000000, 0.0002012400000000 ] - [ -0.0000913800000000, 0.0000859200000000, -0.0003984000000000 ] - [ -0.0035583800000000, 0.0002395100000000, -0.0007469200000000 ] - [ -0.0003032700000000, 0.0003282900000000, -0.0002089400000000 ] - [ 0.0003655800000000, 0.0001594700000000, -0.0000112800000000 ] - [ 0.0001144300000000, 0.0001117200000000, -0.0001516700000000 ] - [ 0.0301410400000000, -0.0041057800000000, 0.0006349800000000 ] - [ 0.0004931200000000, -0.0008150700000000, -0.0028021900000000 ] - [ -0.0000058500000000, 0.0004428100000000, 0.0003092300000000 ] - [ -0.0004830100000000, 0.0001212000000000, -0.0001683800000000 ] - [ -0.0027046600000000, 0.0016074400000000, 0.0087226200000000 ] - [ -0.0079149900000000, 0.0007374100000000, 0.0002689100000000 ] - [ 0.0005067800000000, -0.0001513500000000, 0.0001907000000000 ] - [ 0.0000639600000000, -0.0001098400000000, -0.0001475800000000 ] - [ -0.0005357200000000, 0.0037733700000000, 0.0012807900000000 ] - [ 0.0002148500000000, -0.0004343800000000, 0.0000678700000000 ] - [ -0.0003120500000000, -0.0003009700000000, 0.0000122900000000 ] - [ 0.0001814400000000, -0.0001558800000000, -0.0000189900000000 ] - [ 0.0000769700000000, -0.0004349400000000, 0.0000649700000000 ] - [ -0.0001816700000000, -0.0012466500000000, -0.0007283500000000 ] - [ -0.0001482300000000, -0.0002254400000000, -0.0001767700000000 ] - [ -0.0006050900000000, -0.0003123800000000, -0.0000776100000000 ] - [ 0.0000853200000000, -0.0001318100000000, -0.0001257300000000 ] - [ -0.0000134800000000, -0.0010187900000000, -0.0004138200000000 ] - [ -0.0007720200000000, 0.0002518600000000, -0.0000577900000000 ] - [ -0.0006102100000000, -0.0002700000000000, -0.0002649400000000 ] - [ 0.0005637400000000, -0.0001070800000000, -0.0000801300000000 ] - [ 0.0002884500000000, 0.0002289500000000, -0.0001026500000000 ] - [ -0.0001887100000000, 0.0000410400000000, 0.0000921500000000 ] - [ -0.0002265000000000, -0.0000089500000000, -0.0002017800000000 ] - [ -0.0000795100000000, 0.0001796500000000, 0.0000587300000000 ] - [ 0.0005424100000000, 0.0003169200000000, -0.0003164100000000 ] - [ 0.0000389000000000, -0.0001401200000000, 0.0000193100000000 ] - [ -0.0002779700000000, 0.0002001600000000, 0.0001361800000000 ] - [ -0.0000300500000000, 0.0002623200000000, -0.0001195700000000 ] - [ 0.0002993300000000, -0.0002468400000000, 0.0002203300000000 ] - [ -0.0009061400000000, -0.0019310900000000, -0.0073031000000000 ] - [ 0.0001208200000000, -0.0000003700000000, -0.0000755000000000 ] - [ -0.0001003900000000, 0.0000375600000000, -0.0001559000000000 ] - [ 0.0002271900000000, -0.0000443600000000, 0.0001776300000000 ] - [ 0.0004635000000000, 0.0004869100000000, 0.0003289800000000 ] - [ -0.0001398400000000, 0.0000390500000000, 0.0002374500000000 ] - [ -0.0000908600000000, 0.0002604800000000, 0.0003472800000000 ] - [ -0.0001675900000000, -0.0003954000000000, 0.0001730400000000 ] - [ 0.0004134200000000, -0.0001999900000000, -0.0000341300000000 ] - [ 0.0000862100000000, -0.0001606400000000, 0.0000354000000000 ] - [ 0.0000704100000000, 0.0000313000000000, -0.0001206800000000 ] - [ -0.0001969000000000, 0.0000043400000000, 0.0002241000000000 ] - [ -0.0001920800000000, -0.0001700500000000, 0.0000234500000000 ] - [ 0.0000583600000000, 0.0000830800000000, -0.0000074000000000 ] - [ 0.0000919700000000, -0.0003732000000000, 0.0002997900000000 ] - [ 0.0000090300000000, -0.0002470900000000, 0.0000309400000000 ] - [ 0.0001713600000000, -0.0000053000000000, -0.0000696600000000 ] - [ -0.0002973000000000, -0.0001524600000000, -0.0002572200000000 ] - [ 0.0011511000000000, 0.0000594400000000, 0.0001150100000000 ] - [ 0.0001531400000000, 0.0002043400000000, 0.0000200300000000 ] - [ -0.0003146600000000, 0.0001864900000000, -0.0002521600000000 ] - [ 0.0000140100000000, -0.0000120800000000, -0.0000121300000000 ] - [ -0.0000893400000000, -0.0000460900000000, -0.0001628300000000 ] - [ 0.0002117000000000, 0.0002636000000000, -0.0000317100000000 ] - [ -0.0002294400000000, 0.0000425800000000, -0.0000755100000000 ] - [ 0.0001602500000000, -0.0000116500000000, -0.0000410500000000 ] - [ 0.0004440300000000, 0.0001686700000000, 0.0000347400000000 ] - [ 0.0000913000000000, 0.0001975000000000, -0.0000559200000000 ] - [ 0.0000673600000000, -0.0001646500000000, 0.0001240200000000 ] - [ -0.0001801500000000, 0.0004100100000000, 0.0001991300000000 ] - [ -0.0000062800000000, 0.0003396600000000, -0.0000599300000000 ] - [ -0.0000496900000000, -0.0002242200000000, 0.0003477500000000 ] - [ 0.0002380600000000, 0.0000551400000000, 0.0001762900000000 ]- atom: 42 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006032800000000, 0.0006176000000000, -0.0005611100000000 ] - [ -0.0000137300000000, -0.0002249800000000, -0.0001254600000000 ] - [ -0.0000318500000000, -0.0002024200000000, 0.0001927700000000 ] - [ -0.0026030700000000, 0.0005206300000000, -0.0003641300000000 ] - [ -0.0001591500000000, 0.0003000000000000, 0.0001464800000000 ] - [ 0.0000295100000000, 0.0001509000000000, -0.0001889800000000 ] - [ 0.0000402900000000, 0.0000249700000000, -0.0001166100000000 ] - [ 0.0007442500000000, 0.0000867200000000, 0.0000175700000000 ] - [ -0.0001154900000000, -0.0001350600000000, 0.0001274200000000 ] - [ -0.0000258400000000, -0.0001399300000000, -0.0000704400000000 ] - [ -0.0000251100000000, -0.0001163000000000, 0.0001210500000000 ] - [ -0.0000179600000000, 0.0000938800000000, -0.0000150100000000 ] - [ 0.0000229500000000, 0.0001036500000000, -0.0001603500000000 ] - [ 0.0000121100000000, 0.0002009700000000, -0.0002609500000000 ] - [ -0.0000213900000000, -0.0000827900000000, -0.0002690100000000 ] - [ -0.0000482200000000, 0.0001121300000000, 0.0001911500000000 ] - [ -0.0001539600000000, 0.0001158500000000, -0.0002504200000000 ] - [ 0.0034413400000000, 0.0026872300000000, 0.0034382000000000 ] - [ -0.0038682900000000, 0.0035583800000000, 0.0031810300000000 ] - [ 0.0003419100000000, -0.0003767800000000, 0.0002884900000000 ] - [ -0.0000084800000000, 0.0002371700000000, -0.0001837700000000 ] - [ 0.0000271900000000, 0.0001771400000000, 0.0001376300000000 ] - [ 0.0000988500000000, -0.0001202300000000, -0.0001636800000000 ] - [ 0.0001222400000000, -0.0000454100000000, 0.0000787900000000 ] - [ -0.0003974200000000, -0.0001859200000000, -0.0002551300000000 ] - [ -0.0008959100000000, -0.0001725300000000, 0.0001746300000000 ] - [ -0.0001628500000000, -0.0006346000000000, -0.0001376900000000 ] - [ 0.0002422300000000, -0.0006135200000000, 0.0008598800000000 ] - [ -0.0005895500000000, -0.0002753100000000, -0.0054231600000000 ] - [ -0.0004079600000000, 0.0005437000000000, -0.0001223000000000 ] - [ -0.0002143400000000, 0.0007203200000000, -0.0002348800000000 ] - [ 0.0008058000000000, 0.0002679900000000, 0.0001495600000000 ] - [ -0.0003718500000000, -0.0006417800000000, -0.0001282800000000 ] - [ -0.0002221100000000, -0.0002081100000000, -0.0000895100000000 ] - [ -0.0001166900000000, -0.0000464500000000, -0.0004237600000000 ] - [ 0.0003696700000000, -0.0002342700000000, 0.0001106100000000 ] - [ -0.0000874400000000, 0.0000408900000000, -0.0004001400000000 ] - [ -0.0020658200000000, 0.0003537000000000, -0.0010458400000000 ] - [ -0.0002680600000000, 0.0001139700000000, 0.0002139900000000 ] - [ 0.0003841900000000, 0.0002315900000000, 0.0001026100000000 ] - [ 0.0000907700000000, -0.0000239100000000, -0.0001417600000000 ] - [ 0.0037456700000000, -0.1044257200000000, -0.0060828900000000 ] - [ 0.0006424600000000, 0.0001698500000000, 0.0009171600000000 ] - [ -0.0000061800000000, 0.0004413400000000, 0.0004066800000000 ] - [ -0.0007330700000000, -0.0000191300000000, -0.0008137600000000 ] - [ -0.0000006900000000, 0.0014489500000000, 0.0005016700000000 ] - [ 0.0000562000000000, 0.0822931800000000, 0.0089061800000000 ] - [ 0.0005331400000000, -0.0001290200000000, 0.0000686900000000 ] - [ -0.0000088700000000, -0.0001954000000000, -0.0000327200000000 ] - [ -0.0010494100000000, 0.0026815900000000, 0.0016696200000000 ] - [ -0.0002793600000000, -0.0000701100000000, 0.0004373500000000 ] - [ -0.0002512500000000, -0.0003640000000000, 0.0000771500000000 ] - [ 0.0001967300000000, 0.0002459600000000, 0.0000888700000000 ] - [ 0.0001623500000000, -0.0003869700000000, 0.0003373300000000 ] - [ 0.0001414800000000, -0.0002636100000000, -0.0002970400000000 ] - [ 0.0002867100000000, 0.0000004800000000, -0.0000957000000000 ] - [ -0.0002744300000000, -0.0000794000000000, -0.0003528700000000 ] - [ 0.0002282100000000, -0.0001071000000000, -0.0001478100000000 ] - [ 0.0003834200000000, 0.0003156300000000, 0.0002910700000000 ] - [ 0.0005948900000000, 0.0000546200000000, -0.0014635400000000 ] - [ 0.0004980300000000, 0.0096854800000000, -0.0041898600000000 ] - [ -0.0001637800000000, -0.0000596800000000, -0.0002663000000000 ] - [ 0.0001027100000000, -0.0001863200000000, 0.0001859300000000 ] - [ -0.0001272000000000, 0.0000487500000000, -0.0001394100000000 ] - [ 0.0001158600000000, -0.0001176500000000, -0.0002164800000000 ] - [ 0.0003801600000000, 0.0000008100000000, -0.0000623700000000 ] - [ -0.0000903600000000, 0.0001560300000000, -0.0002822700000000 ] - [ 0.0001305500000000, -0.0002123200000000, -0.0000096200000000 ] - [ -0.0000918800000000, 0.0003949300000000, 0.0002028100000000 ] - [ -0.0000784200000000, 0.0003200900000000, -0.0002177400000000 ] - [ -0.0001045800000000, -0.0001227700000000, 0.0003664200000000 ] - [ 0.0006051800000000, 0.0010910600000000, 0.0003816100000000 ] - [ 0.0000817900000000, -0.0001601400000000, -0.0000627000000000 ] - [ -0.0000949100000000, 0.0000481400000000, -0.0001431100000000 ] - [ 0.0002304600000000, -0.0001408000000000, 0.0002033200000000 ] - [ 0.0000157200000000, 0.0005759700000000, 0.0001756500000000 ] - [ -0.0001604500000000, 0.0000280200000000, 0.0002516700000000 ] - [ -0.0000827400000000, 0.0002481600000000, 0.0003461700000000 ] - [ -0.0001792000000000, -0.0004019100000000, 0.0001617000000000 ] - [ 0.0004640000000000, -0.0002393500000000, 0.0000355400000000 ] - [ -0.0000211600000000, -0.0002004500000000, 0.0000650700000000 ] - [ 0.0000827600000000, 0.0000483500000000, -0.0001425600000000 ] - [ -0.0001632700000000, -0.0000340700000000, 0.0002291400000000 ] - [ -0.0001979400000000, 0.0007285500000000, 0.0000322300000000 ] - [ 0.0000558100000000, 0.0000147000000000, -0.0000118700000000 ] - [ 0.0000046800000000, -0.0004248800000000, 0.0003051200000000 ] - [ 0.0000093800000000, -0.0003001500000000, -0.0000033500000000 ] - [ 0.0001647600000000, -0.0000185300000000, -0.0000674400000000 ] - [ -0.0003098000000000, -0.0001945400000000, -0.0002481800000000 ] - [ 0.0007177600000000, -0.0000616000000000, 0.0000581900000000 ] - [ 0.0001283200000000, 0.0001945400000000, 0.0000245800000000 ] - [ -0.0003008900000000, 0.0001823600000000, -0.0002486400000000 ] - [ 0.0000352100000000, 0.0000181400000000, -0.0000004700000000 ] - [ -0.0001035100000000, -0.0000690900000000, -0.0001348200000000 ] - [ 0.0002104900000000, 0.0002053200000000, -0.0001029100000000 ] - [ -0.0001967500000000, 0.0000295500000000, 0.0000154100000000 ] - [ 0.0001949800000000, -0.0000086700000000, -0.0000658900000000 ] - [ 0.0004079900000000, 0.0001600800000000, 0.0000116700000000 ] - [ 0.0000938600000000, 0.0002256600000000, -0.0000781200000000 ] - [ 0.0000509800000000, -0.0003455300000000, 0.0001604900000000 ] - [ -0.0001531800000000, 0.0003975000000000, 0.0002108200000000 ] - [ 0.0000232100000000, 0.0003472100000000, -0.0000701800000000 ] - [ -0.0000653300000000, -0.0002877700000000, 0.0003578500000000 ] - [ 0.0002352000000000, 0.0000466100000000, 0.0001679900000000 ]- atom: 42 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003901100000000, -0.0009695800000000, 0.0008384300000000 ] - [ -0.0000519300000000, -0.0001007400000000, 0.0000038900000000 ] - [ -0.0000033600000000, -0.0000795100000000, 0.0000586000000000 ] - [ 0.0025119300000000, -0.0002184400000000, 0.0002435300000000 ] - [ -0.0000685300000000, 0.0000586200000000, 0.0001354400000000 ] - [ -0.0000378000000000, 0.0000408600000000, -0.0002122300000000 ] - [ -0.0000342900000000, -0.0002034000000000, -0.0002881700000000 ] - [ -0.0007675800000000, 0.0001763100000000, 0.0002368600000000 ] - [ -0.0000949700000000, -0.0002086600000000, 0.0001591500000000 ] - [ -0.0000396500000000, -0.0001786100000000, -0.0000538400000000 ] - [ -0.0000116400000000, -0.0001552100000000, 0.0001290700000000 ] - [ -0.0000494800000000, 0.0002333300000000, -0.0001090200000000 ] - [ -0.0002373400000000, 0.0002448100000000, 0.0004511200000000 ] - [ -0.0000216900000000, -0.0000049300000000, -0.0001359500000000 ] - [ 0.0000152500000000, -0.0001067900000000, -0.0001239500000000 ] - [ 0.0000134800000000, 0.0001683300000000, 0.0000590200000000 ] - [ 0.0003129600000000, 0.0001271700000000, -0.0001063900000000 ] - [ -0.0033388300000000, -0.0024133100000000, -0.0031337300000000 ] - [ 0.0040361800000000, -0.0038644100000000, -0.0035126300000000 ] - [ -0.0002602700000000, 0.0000192400000000, -0.0000383300000000 ] - [ 0.0001785600000000, 0.0000144800000000, -0.0001702800000000 ] - [ 0.0000455200000000, 0.0001757500000000, 0.0001133200000000 ] - [ 0.0000702400000000, -0.0001168800000000, -0.0001861400000000 ] - [ -0.0000506700000000, -0.0002938400000000, 0.0001689000000000 ] - [ -0.0004417300000000, -0.0012110800000000, 0.0000852100000000 ] - [ 0.0003750000000000, -0.0004368700000000, -0.0004310400000000 ] - [ 0.0000134200000000, 0.0004249200000000, -0.0006695200000000 ] - [ 0.0005235700000000, 0.0002072600000000, -0.0006785900000000 ] - [ 0.0004601700000000, 0.0001602300000000, 0.0046567400000000 ] - [ -0.0004253700000000, 0.0008437300000000, -0.0000450500000000 ] - [ -0.0002924100000000, -0.0001059300000000, -0.0000203600000000 ] - [ -0.0000278100000000, 0.0001205300000000, -0.0000042900000000 ] - [ -0.0004627200000000, -0.0007420500000000, -0.0000418500000000 ] - [ -0.0002862000000000, -0.0004060200000000, -0.0001792100000000 ] - [ -0.0000268400000000, -0.0001596600000000, -0.0003802400000000 ] - [ 0.0003897200000000, -0.0001633500000000, 0.0000392900000000 ] - [ -0.0000561100000000, 0.0001775400000000, -0.0003998600000000 ] - [ 0.0012307300000000, 0.0010600400000000, 0.0009029900000000 ] - [ -0.0002391600000000, 0.0005162100000000, -0.0004899200000000 ] - [ 0.0003773300000000, 0.0001775100000000, 0.0000537800000000 ] - [ 0.0000512000000000, -0.0000294200000000, -0.0001297600000000 ] - [ -0.0040921100000000, 0.1093026100000000, 0.0059986700000000 ] - [ -0.0001751600000000, -0.0002428600000000, -0.0005725600000000 ] - [ 0.0000065200000000, 0.0004412800000000, 0.0002408700000000 ] - [ 0.0004323300000000, 0.0000588300000000, 0.0013068900000000 ] - [ -0.0001737800000000, -0.0009434900000000, 0.0002043100000000 ] - [ -0.0003242400000000, -0.0875698900000000, -0.0089673500000000 ] - [ 0.0003236300000000, -0.0001732200000000, -0.0000217100000000 ] - [ 0.0001925900000000, -0.0001935500000000, -0.0000875900000000 ] - [ 0.0012138000000000, -0.0027070100000000, -0.0019675600000000 ] - [ -0.0000465100000000, 0.0000358900000000, 0.0000685000000000 ] - [ -0.0001827700000000, 0.0000985000000000, -0.0000496700000000 ] - [ -0.0001060100000000, -0.0001656100000000, -0.0000885100000000 ] - [ -0.0001585100000000, -0.0004948100000000, 0.0002957300000000 ] - [ -0.0001231700000000, -0.0002405600000000, 0.0003288400000000 ] - [ 0.0000692500000000, 0.0000186200000000, 0.0000126900000000 ] - [ -0.0003269400000000, -0.0002377600000000, -0.0001364800000000 ] - [ 0.0002352300000000, -0.0003280000000000, -0.0000831500000000 ] - [ -0.0001055000000000, -0.0000290500000000, -0.0002450500000000 ] - [ -0.0012180100000000, 0.0002727600000000, 0.0009750800000000 ] - [ -0.0004001200000000, -0.0096247200000000, 0.0042318000000000 ] - [ -0.0000372000000000, -0.0000272900000000, -0.0000413500000000 ] - [ 0.0003629200000000, 0.0006203300000000, -0.0004178500000000 ] - [ -0.0003033600000000, 0.0002160000000000, 0.0001668800000000 ] - [ 0.0002497300000000, 0.0001112300000000, 0.0001267300000000 ] - [ 0.0004638700000000, 0.0003096900000000, 0.0001100700000000 ] - [ 0.0002866600000000, 0.0002288700000000, 0.0001389700000000 ] - [ 0.0001614000000000, -0.0001292800000000, 0.0000645400000000 ] - [ -0.0002584900000000, 0.0004188700000000, 0.0001372400000000 ] - [ 0.0000940300000000, 0.0002126000000000, 0.0002364400000000 ] - [ -0.0000530700000000, -0.0003379200000000, 0.0003379200000000 ] - [ -0.0001191400000000, -0.0009758600000000, -0.0000086200000000 ] - [ 0.0000586500000000, 0.0001092000000000, -0.0002053000000000 ] - [ -0.0001065400000000, 0.0000369800000000, -0.0001728500000000 ] - [ 0.0002425100000000, 0.0000655300000000, 0.0001463300000000 ] - [ -0.0000146700000000, 0.0003100300000000, 0.0004724500000000 ] - [ -0.0001541000000000, 0.0000045400000000, 0.0002410200000000 ] - [ -0.0000792300000000, 0.0002141900000000, 0.0003555200000000 ] - [ -0.0001764200000000, -0.0004120900000000, 0.0001735200000000 ] - [ 0.0003919300000000, -0.0000639100000000, 0.0000105900000000 ] - [ 0.0002073100000000, -0.0001874700000000, -0.0001804700000000 ] - [ 0.0000564100000000, 0.0000009700000000, -0.0001302000000000 ] - [ -0.0001513300000000, -0.0000046100000000, 0.0002639600000000 ] - [ -0.0002345500000000, -0.0010071300000000, -0.0000024200000000 ] - [ 0.0000348100000000, 0.0000556400000000, 0.0000107300000000 ] - [ -0.0000032400000000, -0.0004573900000000, 0.0003421000000000 ] - [ 0.0000067600000000, -0.0002280900000000, 0.0000280800000000 ] - [ 0.0001918800000000, 0.0000295300000000, -0.0000231000000000 ] - [ -0.0002905900000000, -0.0001270600000000, -0.0002428700000000 ] - [ -0.0002496200000000, -0.0003841000000000, -0.0002907300000000 ] - [ 0.0001664700000000, 0.0001418500000000, 0.0000313000000000 ] - [ -0.0002994900000000, 0.0001336700000000, -0.0002425400000000 ] - [ 0.0000554900000000, -0.0000987700000000, 0.0000001100000000 ] - [ -0.0000983600000000, -0.0000152400000000, -0.0001791300000000 ] - [ 0.0002520300000000, 0.0002249300000000, -0.0001267100000000 ] - [ -0.0002353100000000, 0.0002370700000000, 0.0000164700000000 ] - [ 0.0001593200000000, -0.0000096200000000, -0.0000246700000000 ] - [ 0.0004493900000000, 0.0001369500000000, 0.0000346900000000 ] - [ 0.0000928400000000, 0.0001632100000000, -0.0000423600000000 ] - [ 0.0002423100000000, 0.0000090200000000, -0.0001038700000000 ] - [ -0.0002005000000000, 0.0004138600000000, 0.0001251500000000 ] - [ -0.0000078300000000, 0.0001689400000000, 0.0001006300000000 ] - [ -0.0000990800000000, -0.0001832900000000, 0.0003441800000000 ] - [ 0.0002359200000000, 0.0000192600000000, 0.0001807100000000 ]- atom: 42 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0004572900000000, -0.0000060300000000, -0.0004456000000000 ] - [ 0.0003696000000000, -0.0002752600000000, -0.0003678900000000 ] - [ -0.0001661600000000, -0.0001869700000000, -0.0001523500000000 ] - [ -0.0015142500000000, 0.0006213200000000, -0.0006072100000000 ] - [ 0.0004400400000000, -0.0001167300000000, 0.0003457100000000 ] - [ 0.0000311200000000, 0.0000737800000000, -0.0001855600000000 ] - [ -0.0005002600000000, -0.0003294300000000, 0.0001581600000000 ] - [ -0.0018348800000000, -0.0001522000000000, 0.0003776800000000 ] - [ -0.0001174700000000, -0.0001601500000000, 0.0001082000000000 ] - [ -0.0000304900000000, -0.0001949600000000, -0.0000272800000000 ] - [ -0.0000206200000000, -0.0001576400000000, 0.0001508000000000 ] - [ -0.0000193200000000, 0.0000652200000000, -0.0000626000000000 ] - [ -0.0000542800000000, 0.0001059100000000, 0.0000612200000000 ] - [ 0.0000137000000000, 0.0001860000000000, -0.0003264700000000 ] - [ -0.0000316700000000, -0.0001413400000000, -0.0002113100000000 ] - [ -0.0000454100000000, 0.0000800600000000, 0.0001349700000000 ] - [ 0.0001224100000000, 0.0002117000000000, -0.0001372700000000 ] - [ 0.0002000300000000, 0.0001515300000000, 0.0016535400000000 ] - [ 0.0005372100000000, 0.0000703800000000, 0.0006940300000000 ] - [ 0.0004085900000000, 0.0000011600000000, 0.0004265900000000 ] - [ 0.0000153700000000, 0.0000651200000000, -0.0001897900000000 ] - [ -0.0000460000000000, 0.0000537500000000, 0.0001105700000000 ] - [ 0.0001707200000000, -0.0002233300000000, -0.0002075700000000 ] - [ 0.0001042100000000, -0.0002645700000000, 0.0000613400000000 ] - [ -0.0004036300000000, -0.0008813500000000, -0.0002242600000000 ] - [ -0.0009160500000000, -0.0003005600000000, 0.0000858900000000 ] - [ 0.0007750000000000, -0.0000973900000000, 0.0003202000000000 ] - [ 0.0008106600000000, -0.0006625500000000, 0.0006691600000000 ] - [ -0.0053345600000000, -0.0021038500000000, 0.0787326200000000 ] - [ -0.0004603400000000, 0.0006517600000000, -0.0000927500000000 ] - [ -0.0000619500000000, 0.0003974200000000, 0.0002296300000000 ] - [ 0.0000773300000000, 0.0008787800000000, 0.0008211100000000 ] - [ -0.0003172900000000, -0.0007188500000000, -0.0001100700000000 ] - [ -0.0001995900000000, -0.0002924500000000, -0.0001349700000000 ] - [ -0.0001196500000000, -0.0001092000000000, -0.0003997000000000 ] - [ 0.0003725300000000, -0.0003191300000000, 0.0000397300000000 ] - [ -0.0000816400000000, 0.0000193600000000, -0.0004347800000000 ] - [ -0.0013476100000000, 0.0005946400000000, -0.0001563500000000 ] - [ -0.0002333400000000, -0.0002888000000000, 0.0004494700000000 ] - [ 0.0003689700000000, 0.0001620000000000, 0.0000436800000000 ] - [ 0.0000323000000000, -0.0000414500000000, -0.0001357200000000 ] - [ 0.0092590400000000, -0.0074555300000000, -0.1038564300000000 ] - [ 0.0024604300000000, 0.0000890800000000, 0.0011499800000000 ] - [ -0.0000140100000000, 0.0004597900000000, 0.0004121600000000 ] - [ -0.0002061200000000, 0.0001697100000000, -0.0002920600000000 ] - [ -0.0057629900000000, 0.0014092500000000, 0.0101715100000000 ] - [ -0.0021919400000000, 0.0052000800000000, 0.0100228200000000 ] - [ 0.0005608400000000, -0.0001482700000000, 0.0000829000000000 ] - [ 0.0002479900000000, -0.0001543100000000, -0.0001463200000000 ] - [ -0.0006667400000000, 0.0016816700000000, -0.0002355300000000 ] - [ 0.0001332400000000, -0.0000347000000000, 0.0000787900000000 ] - [ -0.0002220200000000, -0.0001193200000000, -0.0001327400000000 ] - [ 0.0000322500000000, 0.0000468100000000, -0.0000018300000000 ] - [ 0.0001777000000000, -0.0005260400000000, 0.0002475400000000 ] - [ 0.0001511000000000, -0.0007920700000000, -0.0006211700000000 ] - [ 0.0004281900000000, -0.0005712900000000, -0.0007940000000000 ] - [ -0.0004405700000000, -0.0002676200000000, -0.0000774800000000 ] - [ 0.0001443600000000, -0.0000605800000000, -0.0001429600000000 ] - [ 0.0002824900000000, -0.0001019600000000, 0.0000238300000000 ] - [ -0.0005829900000000, 0.0004205000000000, -0.0009057700000000 ] - [ 0.0000177500000000, 0.0009041100000000, -0.0043233200000000 ] - [ 0.0000424200000000, 0.0000420800000000, 0.0019770000000000 ] - [ 0.0002263800000000, 0.0004114700000000, 0.0000313900000000 ] - [ -0.0001102300000000, 0.0000062900000000, -0.0001192300000000 ] - [ 0.0001789200000000, -0.0000577300000000, -0.0000765200000000 ] - [ -0.0000513100000000, 0.0002172100000000, 0.0000344500000000 ] - [ 0.0002414600000000, 0.0000389400000000, -0.0002265200000000 ] - [ 0.0000964600000000, -0.0002330800000000, -0.0000092000000000 ] - [ -0.0001880000000000, 0.0002205500000000, 0.0002552700000000 ] - [ -0.0000492400000000, 0.0004594300000000, -0.0003418400000000 ] - [ -0.0002126700000000, -0.0002971400000000, 0.0001918700000000 ] - [ 0.0045325800000000, 0.0009573400000000, 0.0052469400000000 ] - [ 0.0000597700000000, 0.0000017900000000, -0.0000894100000000 ] - [ -0.0001024900000000, 0.0000540700000000, -0.0001326800000000 ] - [ 0.0002227800000000, -0.0000708900000000, 0.0001853900000000 ] - [ 0.0000084700000000, 0.0005351100000000, 0.0003971000000000 ] - [ -0.0001937100000000, 0.0000916800000000, 0.0002694300000000 ] - [ -0.0001055300000000, 0.0002899300000000, 0.0003522400000000 ] - [ -0.0001562000000000, -0.0004015200000000, 0.0001642400000000 ] - [ 0.0004518800000000, -0.0001701100000000, -0.0000024600000000 ] - [ -0.0000358600000000, -0.0000828700000000, 0.0000974500000000 ] - [ 0.0000554100000000, 0.0000442200000000, -0.0001210900000000 ] - [ -0.0001707800000000, 0.0000087900000000, 0.0002361400000000 ] - [ -0.0001847200000000, 0.0004284900000000, -0.0001054600000000 ] - [ 0.0000632800000000, 0.0000782200000000, 0.0000066700000000 ] - [ -0.0000611500000000, -0.0004754300000000, 0.0002660800000000 ] - [ 0.0000099100000000, -0.0002175800000000, 0.0000337500000000 ] - [ 0.0001635500000000, 0.0000263300000000, -0.0000468400000000 ] - [ -0.0002950700000000, -0.0001407400000000, -0.0002529300000000 ] - [ 0.0006478400000000, -0.0003585600000000, -0.0002023700000000 ] - [ 0.0000895500000000, 0.0001944900000000, 0.0000324800000000 ] - [ -0.0002677900000000, 0.0002394400000000, -0.0002117400000000 ] - [ 0.0000389200000000, 0.0000304000000000, -0.0000072400000000 ] - [ -0.0000923800000000, -0.0000635200000000, -0.0001435300000000 ] - [ 0.0002166200000000, 0.0001768900000000, -0.0001260100000000 ] - [ -0.0001921800000000, 0.0001249100000000, 0.0000255200000000 ] - [ 0.0002659700000000, 0.0001213500000000, -0.0000888500000000 ] - [ 0.0003510200000000, 0.0002863700000000, -0.0000092200000000 ] - [ 0.0000958700000000, 0.0002101400000000, -0.0000678300000000 ] - [ 0.0000628100000000, -0.0001248600000000, 0.0001668300000000 ] - [ -0.0001835500000000, 0.0004126000000000, 0.0001768900000000 ] - [ -0.0000115800000000, 0.0005945300000000, -0.0000240100000000 ] - [ -0.0000581700000000, -0.0002119300000000, 0.0003553000000000 ] - [ 0.0002567300000000, 0.0000878700000000, 0.0001778400000000 ]- atom: 42 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ 0.0002463400000000, -0.0003376400000000, 0.0007299800000000 ] - [ -0.0004401100000000, -0.0000465800000000, 0.0002520600000000 ] - [ 0.0001294300000000, -0.0000891900000000, 0.0004079600000000 ] - [ 0.0014613900000000, -0.0003096500000000, 0.0004731300000000 ] - [ -0.0006586000000000, 0.0004632500000000, -0.0000622300000000 ] - [ -0.0000406700000000, 0.0001183600000000, -0.0002127800000000 ] - [ 0.0004960700000000, 0.0001369400000000, -0.0005594900000000 ] - [ 0.0018109200000000, 0.0004299200000000, -0.0001253500000000 ] - [ -0.0000939700000000, -0.0001859300000000, 0.0001785500000000 ] - [ -0.0000355200000000, -0.0001252900000000, -0.0000971000000000 ] - [ -0.0000155700000000, -0.0001155600000000, 0.0000995400000000 ] - [ -0.0000464400000000, 0.0002581100000000, -0.0000601500000000 ] - [ -0.0001566600000000, 0.0002420200000000, 0.0002251700000000 ] - [ -0.0000226900000000, 0.0000080900000000, -0.0000691000000000 ] - [ 0.0000227000000000, -0.0000487800000000, -0.0001859200000000 ] - [ 0.0000090000000000, 0.0001960900000000, 0.0001165000000000 ] - [ 0.0000442600000000, 0.0000273700000000, -0.0002122100000000 ] - [ -0.0001050900000000, 0.0001871700000000, -0.0013817200000000 ] - [ -0.0003776300000000, -0.0003181000000000, -0.0010450300000000 ] - [ -0.0003283100000000, -0.0003554200000000, -0.0001671300000000 ] - [ 0.0001554800000000, 0.0001835900000000, -0.0001619100000000 ] - [ 0.0001194100000000, 0.0002921800000000, 0.0001396900000000 ] - [ -0.0000025300000000, -0.0000195300000000, -0.0001430900000000 ] - [ -0.0000340600000000, -0.0000780400000000, 0.0001881200000000 ] - [ -0.0004325200000000, -0.0005052300000000, 0.0000575900000000 ] - [ 0.0003936500000000, -0.0003174600000000, -0.0003472200000000 ] - [ -0.0009006400000000, -0.0000963300000000, -0.0010995500000000 ] - [ -0.0000473000000000, 0.0002539300000000, -0.0005155300000000 ] - [ 0.0051378000000000, 0.0031108100000000, -0.0833930900000000 ] - [ -0.0003746700000000, 0.0007358200000000, -0.0000757200000000 ] - [ -0.0004470100000000, 0.0002186100000000, -0.0004964200000000 ] - [ 0.0006880700000000, -0.0004634900000000, -0.0006463800000000 ] - [ -0.0005159600000000, -0.0006697300000000, -0.0000583800000000 ] - [ -0.0003059700000000, -0.0003201000000000, -0.0001279100000000 ] - [ -0.0000239600000000, -0.0000988800000000, -0.0004027500000000 ] - [ 0.0003867800000000, -0.0000830900000000, 0.0001154000000000 ] - [ -0.0000618700000000, 0.0001934800000000, -0.0003655600000000 ] - [ 0.0005068100000000, 0.0007999800000000, -0.0000100900000000 ] - [ -0.0002736400000000, 0.0009190600000000, -0.0007344600000000 ] - [ 0.0003914800000000, 0.0002445400000000, 0.0001078300000000 ] - [ 0.0001062300000000, -0.0000097000000000, -0.0001377800000000 ] - [ -0.0095604500000000, 0.0065076800000000, 0.1077380500000000 ] - [ -0.0019669100000000, -0.0001678500000000, -0.0008267300000000 ] - [ 0.0000145200000000, 0.0004243800000000, 0.0002358800000000 ] - [ -0.0001105400000000, -0.0001296800000000, 0.0007829900000000 ] - [ 0.0057088000000000, -0.0009433900000000, -0.0096919100000000 ] - [ 0.0017978500000000, -0.0057748300000000, -0.0096954100000000 ] - [ 0.0002964000000000, -0.0001533400000000, -0.0000362200000000 ] - [ -0.0000596300000000, -0.0002302000000000, 0.0000241900000000 ] - [ 0.0008093100000000, -0.0016366200000000, -0.0000334500000000 ] - [ -0.0004495400000000, -0.0000004800000000, 0.0004110900000000 ] - [ -0.0002102900000000, -0.0001480700000000, 0.0001652800000000 ] - [ 0.0000585300000000, 0.0000311500000000, 0.0000002400000000 ] - [ -0.0001758500000000, -0.0003556400000000, 0.0003965700000000 ] - [ -0.0001301800000000, 0.0002663600000000, 0.0006335900000000 ] - [ -0.0000677900000000, 0.0005752900000000, 0.0006849400000000 ] - [ -0.0001602400000000, -0.0000492600000000, -0.0004169800000000 ] - [ 0.0003183800000000, -0.0003705700000000, -0.0000875100000000 ] - [ 0.0000090100000000, 0.0004345800000000, 0.0000318400000000 ] - [ -0.0000126400000000, -0.0000934600000000, 0.0004045400000000 ] - [ 0.0001076200000000, -0.0009537200000000, 0.0042708100000000 ] - [ -0.0002289600000000, -0.0001289700000000, -0.0022499000000000 ] - [ 0.0002380400000000, 0.0000142200000000, -0.0002641300000000 ] - [ -0.0003187900000000, 0.0002545400000000, 0.0001447600000000 ] - [ 0.0001779100000000, 0.0000466400000000, -0.0000132000000000 ] - [ 0.0009047200000000, 0.0000864300000000, 0.0000141200000000 ] - [ -0.0000573400000000, 0.0003459900000000, 0.0001028800000000 ] - [ 0.0001970300000000, -0.0001075600000000, 0.0000638700000000 ] - [ -0.0001670800000000, 0.0005857200000000, 0.0000805700000000 ] - [ 0.0000658200000000, 0.0000609800000000, 0.0003718200000000 ] - [ 0.0000557500000000, -0.0001659400000000, 0.0005044400000000 ] - [ -0.0041133900000000, -0.0008644700000000, -0.0049677500000000 ] - [ 0.0000782100000000, -0.0000549500000000, -0.0001824000000000 ] - [ -0.0000996300000000, 0.0000299700000000, -0.0001835300000000 ] - [ 0.0002499400000000, -0.0000007100000000, 0.0001642000000000 ] - [ -0.0000075400000000, 0.0003493400000000, 0.0002466400000000 ] - [ -0.0001203700000000, -0.0000567300000000, 0.0002208000000000 ] - [ -0.0000581500000000, 0.0001737000000000, 0.0003504300000000 ] - [ -0.0001987600000000, -0.0004097700000000, 0.0001701400000000 ] - [ 0.0004031000000000, -0.0001338600000000, 0.0000486400000000 ] - [ 0.0002224700000000, -0.0003054400000000, -0.0002146300000000 ] - [ 0.0000822000000000, 0.0000090300000000, -0.0001519600000000 ] - [ -0.0001445600000000, -0.0000463500000000, 0.0002548700000000 ] - [ -0.0002496500000000, -0.0007265600000000, 0.0001387800000000 ] - [ 0.0000274500000000, -0.0000042000000000, -0.0000079800000000 ] - [ 0.0000616100000000, -0.0004084200000000, 0.0003817500000000 ] - [ 0.0000064700000000, -0.0003050300000000, -0.0000070000000000 ] - [ 0.0001939400000000, -0.0000154500000000, -0.0000426000000000 ] - [ -0.0003044200000000, -0.0001795700000000, -0.0002394200000000 ] - [ -0.0001826300000000, -0.0000715100000000, -0.0000261900000000 ] - [ 0.0002070600000000, 0.0001463000000000, 0.0000236200000000 ] - [ -0.0003327800000000, 0.0000780800000000, -0.0002812900000000 ] - [ 0.0000515600000000, -0.0001075800000000, 0.0000063300000000 ] - [ -0.0001097200000000, -0.0000202000000000, -0.0001720500000000 ] - [ 0.0002463600000000, 0.0002542700000000, -0.0001037400000000 ] - [ -0.0002401800000000, 0.0001377100000000, 0.0000037800000000 ] - [ 0.0000888900000000, -0.0001353200000000, 0.0000003800000000 ] - [ 0.0005064100000000, 0.0000137900000000, 0.0000573600000000 ] - [ 0.0000908800000000, 0.0001770200000000, -0.0000508400000000 ] - [ 0.0002310300000000, -0.0002157900000000, -0.0001101500000000 ] - [ -0.0001706000000000, 0.0003980800000000, 0.0001577800000000 ] - [ 0.0000280100000000, -0.0000804300000000, 0.0000523500000000 ] - [ -0.0001064300000000, -0.0002551100000000, 0.0003476800000000 ] - [ 0.0002153100000000, -0.0000197600000000, 0.0001715000000000 ]- atom: 43 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ 0.0000056300000000, -0.0003540900000000, 0.0001642500000000 ] - [ -0.0000415800000000, -0.0005429500000000, 0.0002043600000000 ] - [ -0.0001393900000000, 0.0000845100000000, -0.0004948800000000 ] - [ -0.0002737400000000, -0.0000359700000000, 0.0001416600000000 ] - [ -0.0001551700000000, 0.0001546200000000, 0.0000788700000000 ] - [ -0.0000779900000000, 0.0002530000000000, -0.0000899200000000 ] - [ -0.0000956200000000, 0.0001019300000000, -0.0000361900000000 ] - [ 0.0014066200000000, 0.0002825000000000, -0.0011711600000000 ] - [ -0.0002010900000000, -0.0000988800000000, 0.0001352100000000 ] - [ -0.0000630000000000, -0.0001377900000000, -0.0000894800000000 ] - [ 0.0000186600000000, -0.0001186300000000, 0.0001002900000000 ] - [ -0.0000283400000000, 0.0001892200000000, -0.0000351900000000 ] - [ -0.0000964200000000, 0.0001818200000000, 0.0001353100000000 ] - [ 0.0001160100000000, 0.0002936100000000, -0.0001682900000000 ] - [ -0.0000127900000000, -0.0000685900000000, -0.0002267100000000 ] - [ -0.0000200300000000, 0.0001630600000000, 0.0001393800000000 ] - [ -0.0004179200000000, -0.0028877000000000, -0.0005519800000000 ] - [ -0.0002586900000000, 0.0000931900000000, 0.0000755300000000 ] - [ 0.0003455300000000, -0.0003322100000000, -0.0001187400000000 ] - [ 0.0014564100000000, 0.0072425500000000, 0.0036564000000000 ] - [ 0.0001330800000000, 0.0001926500000000, -0.0001715700000000 ] - [ 0.0000936800000000, 0.0002250500000000, 0.0001673600000000 ] - [ 0.0000470500000000, -0.0000375500000000, -0.0001632400000000 ] - [ -0.0000138800000000, -0.0000908700000000, 0.0001271500000000 ] - [ -0.0003790500000000, -0.0007147600000000, -0.0000631100000000 ] - [ -0.0018587300000000, -0.0003537200000000, 0.0017752700000000 ] - [ 0.0769670900000000, -0.0265281300000000, 0.0332098900000000 ] - [ 0.0002623700000000, -0.0002581700000000, 0.0001573400000000 ] - [ 0.0005623000000000, -0.0000269000000000, -0.0002325000000000 ] - [ -0.0004610200000000, 0.0006518000000000, -0.0000886600000000 ] - [ -0.0000095200000000, 0.0003804300000000, -0.0001101600000000 ] - [ -0.0010825600000000, -0.0026357900000000, -0.0022110100000000 ] - [ -0.0001793200000000, -0.0004647900000000, -0.0004547700000000 ] - [ -0.0002839000000000, -0.0002189700000000, 0.0001246400000000 ] - [ -0.0000763500000000, -0.0000174400000000, -0.0004430800000000 ] - [ 0.0004115400000000, -0.0001375400000000, 0.0000787000000000 ] - [ -0.0000645000000000, 0.0001386900000000, -0.0003712300000000 ] - [ -0.0004258200000000, 0.0006827700000000, -0.0000743900000000 ] - [ -0.0003361300000000, 0.0004861100000000, -0.0001911800000000 ] - [ 0.0003797600000000, 0.0002435300000000, 0.0000087800000000 ] - [ 0.0002125700000000, -0.0001399700000000, -0.0002997400000000 ] - [ -0.0003676500000000, 0.0004566100000000, 0.0020863000000000 ] - [ -0.0966811900000000, 0.0293481000000000, -0.0456028200000000 ] - [ 0.0000247900000000, 0.0004565700000000, 0.0003221400000000 ] - [ -0.0002035000000000, -0.0000089700000000, 0.0001140700000000 ] - [ -0.0000932300000000, 0.0003691300000000, 0.0003374400000000 ] - [ 0.0000504800000000, -0.0003511700000000, 0.0003986700000000 ] - [ 0.0014771500000000, 0.0001435900000000, -0.0004477500000000 ] - [ -0.0012196800000000, 0.0005888200000000, -0.0007342300000000 ] - [ 0.0000325000000000, 0.0000727100000000, -0.0001229200000000 ] - [ 0.0006103200000000, 0.0007058600000000, 0.0008629500000000 ] - [ -0.0002584900000000, -0.0001841600000000, 0.0000251700000000 ] - [ 0.0001082100000000, -0.0021390300000000, 0.0013627900000000 ] - [ -0.0000048000000000, -0.0004557600000000, 0.0003494700000000 ] - [ 0.0029149600000000, 0.0006816600000000, 0.0013978100000000 ] - [ 0.0035966400000000, -0.0023026800000000, 0.0001943200000000 ] - [ 0.0026504800000000, -0.0013956500000000, -0.0023713900000000 ] - [ 0.0001813800000000, -0.0002262800000000, -0.0001128600000000 ] - [ 0.0001932200000000, 0.0002236000000000, 0.0000418300000000 ] - [ -0.0002543700000000, 0.0001291500000000, -0.0004213400000000 ] - [ 0.0000785100000000, 0.0000845000000000, 0.0001698800000000 ] - [ 0.0010402800000000, -0.0004150600000000, 0.0048672900000000 ] - [ 0.0003010400000000, 0.0002617300000000, -0.0000757000000000 ] - [ -0.0000846600000000, 0.0000632700000000, -0.0003491100000000 ] - [ 0.0001199800000000, -0.0000099700000000, -0.0000570100000000 ] - [ 0.0003852700000000, 0.0001876800000000, -0.0001067800000000 ] - [ 0.0001170200000000, 0.0001640300000000, 0.0000266200000000 ] - [ -0.0000784800000000, -0.0001344200000000, 0.0000512300000000 ] - [ -0.0011769800000000, -0.0006526100000000, 0.0003212100000000 ] - [ 0.0000466300000000, 0.0002505600000000, -0.0000304900000000 ] - [ 0.0088855500000000, -0.0013759600000000, 0.0028272600000000 ] - [ 0.0012068300000000, 0.0003819500000000, 0.0011684000000000 ] - [ 0.0000921900000000, -0.0000786600000000, -0.0001376400000000 ] - [ -0.0000924500000000, 0.0000372400000000, -0.0001688400000000 ] - [ 0.0002463500000000, -0.0000809000000000, 0.0001792200000000 ] - [ 0.0000132900000000, 0.0004803700000000, 0.0003161000000000 ] - [ -0.0001477100000000, -0.0000193000000000, 0.0002478700000000 ] - [ -0.0000732500000000, 0.0001973100000000, 0.0003485800000000 ] - [ -0.0001805000000000, -0.0004015800000000, 0.0001636900000000 ] - [ 0.0003991900000000, -0.0001999400000000, -0.0000040300000000 ] - [ 0.0001003900000000, -0.0002084700000000, -0.0000668200000000 ] - [ 0.0000716500000000, 0.0000183300000000, -0.0001556400000000 ] - [ -0.0001871800000000, -0.0000418800000000, 0.0002763100000000 ] - [ -0.0001578000000000, -0.0002913700000000, 0.0000104700000000 ] - [ 0.0000542100000000, -0.0000029600000000, 0.0000035700000000 ] - [ 0.0001992200000000, -0.0002068200000000, 0.0000355100000000 ] - [ 0.0000169300000000, -0.0003939600000000, -0.0001360000000000 ] - [ 0.0002060500000000, -0.0000433700000000, -0.0000617900000000 ] - [ -0.0002746600000000, -0.0001813700000000, -0.0002191000000000 ] - [ 0.0002330200000000, -0.0002057800000000, -0.0001256400000000 ] - [ 0.0001685900000000, 0.0001921900000000, 0.0000203000000000 ] - [ -0.0003231800000000, 0.0001303400000000, -0.0002551400000000 ] - [ 0.0000396800000000, -0.0000657600000000, 0.0000041200000000 ] - [ -0.0001031400000000, -0.0000423900000000, -0.0001363300000000 ] - [ 0.0001532500000000, 0.0002537400000000, 0.0003170500000000 ] - [ -0.0001812400000000, 0.0000811800000000, -0.0002153300000000 ] - [ 0.0001325800000000, -0.0000991700000000, -0.0000484100000000 ] - [ 0.0004649300000000, 0.0001102500000000, 0.0000243000000000 ] - [ 0.0000698400000000, 0.0001998900000000, -0.0000695100000000 ] - [ 0.0001358500000000, -0.0001944200000000, 0.0000228700000000 ] - [ -0.0001689500000000, 0.0003836400000000, 0.0001647000000000 ] - [ -0.0000002600000000, 0.0001932200000000, 0.0000293400000000 ] - [ -0.0000914500000000, -0.0002832700000000, 0.0003510800000000 ] - [ 0.0002206300000000, 0.0000062600000000, 0.0001694900000000 ]- atom: 43 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0002135200000000, 0.0000084400000000, 0.0001238300000000 ] - [ -0.0000230000000000, 0.0002130200000000, -0.0003150400000000 ] - [ 0.0000921100000000, -0.0003612100000000, 0.0007438000000000 ] - [ 0.0002050700000000, 0.0003541500000000, -0.0002647400000000 ] - [ -0.0000548600000000, 0.0001928000000000, 0.0002112200000000 ] - [ 0.0000657400000000, -0.0000586000000000, -0.0003047600000000 ] - [ 0.0000849100000000, -0.0002938200000000, -0.0003608500000000 ] - [ -0.0014375000000000, -0.0000090300000000, 0.0013922900000000 ] - [ -0.0000060500000000, -0.0002467400000000, 0.0001517200000000 ] - [ -0.0000020700000000, -0.0001817000000000, -0.0000336200000000 ] - [ -0.0000560500000000, -0.0001535700000000, 0.0001506800000000 ] - [ -0.0000379700000000, 0.0001335600000000, -0.0000875800000000 ] - [ -0.0001149200000000, 0.0001657400000000, 0.0001515700000000 ] - [ -0.0001284400000000, -0.0001001100000000, -0.0002304100000000 ] - [ 0.0000035000000000, -0.0001217300000000, -0.0001717600000000 ] - [ -0.0000159600000000, 0.0001123100000000, 0.0001118600000000 ] - [ 0.0006024100000000, 0.0030905700000000, 0.0001906500000000 ] - [ 0.0003284700000000, 0.0002546700000000, 0.0001742300000000 ] - [ -0.0001760000000000, 0.0000891300000000, -0.0002322300000000 ] - [ -0.0014571700000000, -0.0075691500000000, -0.0033966100000000 ] - [ 0.0000394800000000, 0.0000552300000000, -0.0001804200000000 ] - [ -0.0000250800000000, 0.0001235900000000, 0.0000819500000000 ] - [ 0.0001250100000000, -0.0002049600000000, -0.0001876400000000 ] - [ 0.0000821400000000, -0.0002524800000000, 0.0001220600000000 ] - [ -0.0004576600000000, -0.0006754800000000, -0.0001030900000000 ] - [ 0.0013557300000000, -0.0002429700000000, -0.0020568800000000 ] - [ -0.0743499500000000, 0.0246998500000000, -0.0323612100000000 ] - [ 0.0004984700000000, -0.0001457300000000, -0.0000034100000000 ] - [ -0.0007263700000000, 0.0002187500000000, -0.0005865100000000 ] - [ -0.0003714700000000, 0.0007356900000000, -0.0000781800000000 ] - [ -0.0004939100000000, 0.0002353700000000, -0.0001563600000000 ] - [ 0.0018448700000000, 0.0030778600000000, 0.0023837300000000 ] - [ -0.0006561100000000, -0.0009236400000000, 0.0003014400000000 ] - [ -0.0002226600000000, -0.0003920700000000, -0.0003774600000000 ] - [ -0.0000672000000000, -0.0001923400000000, -0.0003597800000000 ] - [ 0.0003473300000000, -0.0002657000000000, 0.0000702700000000 ] - [ -0.0000794200000000, 0.0000749600000000, -0.0004304900000000 ] - [ -0.0004097900000000, 0.0007063700000000, -0.0000920800000000 ] - [ -0.0001685400000000, 0.0001277400000000, -0.0000705700000000 ] - [ 0.0003812600000000, 0.0001641100000000, 0.0001404500000000 ] - [ -0.0000696000000000, 0.0000881200000000, 0.0000233600000000 ] - [ 0.0002120600000000, -0.0003665000000000, -0.0024054100000000 ] - [ 0.0942167600000000, -0.0276646300000000, 0.0442371700000000 ] - [ -0.0000250400000000, 0.0004269300000000, 0.0003258900000000 ] - [ -0.0001127000000000, 0.0000448700000000, 0.0003791700000000 ] - [ -0.0000661900000000, 0.0001001100000000, 0.0003632500000000 ] - [ -0.0004095800000000, -0.0004651800000000, -0.0000683900000000 ] - [ -0.0006273100000000, -0.0004455500000000, 0.0004937100000000 ] - [ 0.0014012200000000, -0.0010106100000000, 0.0006142400000000 ] - [ 0.0001060600000000, -0.0000228900000000, -0.0001487900000000 ] - [ -0.0009117500000000, -0.0007528100000000, -0.0003711700000000 ] - [ -0.0001746600000000, -0.0000845600000000, 0.0000069100000000 ] - [ 0.0000254800000000, 0.0021552600000000, -0.0013104000000000 ] - [ 0.0000053800000000, -0.0004278300000000, 0.0002948900000000 ] - [ -0.0028888700000000, -0.0012139700000000, -0.0013930300000000 ] - [ -0.0032727600000000, 0.0023331600000000, -0.0002861400000000 ] - [ -0.0032544400000000, 0.0010826400000000, 0.0019017800000000 ] - [ 0.0002797700000000, -0.0002068800000000, -0.0001172600000000 ] - [ 0.0000998700000000, 0.0001113400000000, 0.0000147500000000 ] - [ -0.0003462300000000, 0.0001912100000000, -0.0000698900000000 ] - [ 0.0000134600000000, -0.0001533900000000, -0.0001727700000000 ] - [ -0.0012487400000000, 0.0003111100000000, -0.0051155600000000 ] - [ 0.0001635300000000, 0.0001673800000000, -0.0001552100000000 ] - [ -0.0003477100000000, 0.0002030200000000, 0.0003874000000000 ] - [ 0.0002362500000000, -0.0000024300000000, -0.0000346000000000 ] - [ 0.0004687400000000, 0.0001145700000000, 0.0001533400000000 ] - [ 0.0000704800000000, 0.0002243300000000, -0.0001462400000000 ] - [ 0.0003726400000000, -0.0002066500000000, 0.0000003200000000 ] - [ 0.0007901700000000, 0.0014478300000000, -0.0000153900000000 ] - [ -0.0000311700000000, 0.0002736700000000, 0.0000589500000000 ] - [ -0.0087752000000000, 0.0008982400000000, -0.0020956000000000 ] - [ -0.0007481100000000, -0.0003113300000000, -0.0008403400000000 ] - [ 0.0000465700000000, 0.0000283200000000, -0.0001335200000000 ] - [ -0.0001098900000000, 0.0000484800000000, -0.0001456400000000 ] - [ 0.0002261500000000, 0.0000088100000000, 0.0001698500000000 ] - [ -0.0000126200000000, 0.0004033600000000, 0.0003301700000000 ] - [ -0.0001687100000000, 0.0000549400000000, 0.0002448700000000 ] - [ -0.0000901300000000, 0.0002671500000000, 0.0003539200000000 ] - [ -0.0001745200000000, -0.0004119900000000, 0.0001710700000000 ] - [ 0.0004542400000000, -0.0001047200000000, 0.0000491400000000 ] - [ 0.0000861900000000, -0.0001799100000000, -0.0000516000000000 ] - [ 0.0000662900000000, 0.0000328300000000, -0.0001168900000000 ] - [ -0.0001296900000000, 0.0000040900000000, 0.0002168500000000 ] - [ -0.0002753200000000, 0.0000238000000000, 0.0000201600000000 ] - [ 0.0000360700000000, 0.0000762100000000, -0.0000046900000000 ] - [ -0.0002264100000000, -0.0006761200000000, 0.0006076800000000 ] - [ -0.0000008100000000, -0.0001366400000000, 0.0001607200000000 ] - [ 0.0001525600000000, 0.0000534500000000, -0.0000295200000000 ] - [ -0.0003242300000000, -0.0001398400000000, -0.0002715500000000 ] - [ 0.0002303200000000, -0.0002263300000000, -0.0001046800000000 ] - [ 0.0001229600000000, 0.0001448800000000, 0.0000362200000000 ] - [ -0.0002755500000000, 0.0001885800000000, -0.0002358400000000 ] - [ 0.0000507700000000, -0.0000109200000000, -0.0000044200000000 ] - [ -0.0000990600000000, -0.0000425700000000, -0.0001779900000000 ] - [ 0.0003116100000000, 0.0001731600000000, -0.0005531000000000 ] - [ -0.0002502400000000, 0.0001800400000000, 0.0002377700000000 ] - [ 0.0002254500000000, 0.0000864800000000, -0.0000424900000000 ] - [ 0.0003892100000000, 0.0001915400000000, 0.0000210700000000 ] - [ 0.0001165300000000, 0.0001890900000000, -0.0000500800000000 ] - [ 0.0001563300000000, -0.0001424600000000, 0.0000335300000000 ] - [ -0.0001851700000000, 0.0004282200000000, 0.0001702900000000 ] - [ 0.0000161700000000, 0.0003292900000000, -0.0000011500000000 ] - [ -0.0000730300000000, -0.0001848800000000, 0.0003513500000000 ] - [ 0.0002513600000000, 0.0000621700000000, 0.0001794600000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004646900000000, -0.0009489800000000, -0.0001247600000000 ] - [ -0.0005207900000000, 0.0005926700000000, 0.0000283400000000 ] - [ 0.0004469700000000, 0.0004541900000000, 0.0001498700000000 ] - [ -0.0000194900000000, 0.0004110300000000, 0.0000535200000000 ] - [ -0.0001639200000000, 0.0000812700000000, -0.0000568500000000 ] - [ 0.0003586700000000, -0.0002006900000000, -0.0007268400000000 ] - [ 0.0001388800000000, -0.0002619000000000, -0.0003388700000000 ] - [ 0.0002774200000000, 0.0010375800000000, -0.0002718400000000 ] - [ -0.0004841300000000, -0.0003551000000000, 0.0000663300000000 ] - [ -0.0001328500000000, -0.0004036500000000, -0.0000390100000000 ] - [ 0.0000885500000000, -0.0003819600000000, 0.0001616200000000 ] - [ -0.0000036600000000, -0.0000152800000000, -0.0001430200000000 ] - [ -0.0000823400000000, 0.0000606600000000, 0.0001623500000000 ] - [ 0.0002360100000000, -0.0000411000000000, -0.0001961900000000 ] - [ -0.0000272100000000, -0.0002359900000000, -0.0000819000000000 ] - [ -0.0000545200000000, -0.0000116000000000, 0.0000675500000000 ] - [ -0.0010231500000000, 0.0012480200000000, -0.0004446300000000 ] - [ 0.0001497500000000, 0.0003208400000000, 0.0002046700000000 ] - [ -0.0001512400000000, 0.0001789000000000, -0.0002892200000000 ] - [ 0.0012867500000000, 0.0148218000000000, 0.0093578400000000 ] - [ -0.0000504100000000, -0.0002475000000000, -0.0001030100000000 ] - [ 0.0001235000000000, -0.0003334400000000, 0.0001738000000000 ] - [ -0.0000128700000000, -0.0004344900000000, -0.0002009300000000 ] - [ 0.0001634400000000, -0.0006450800000000, 0.0001402700000000 ] - [ -0.0002311000000000, -0.0008485200000000, -0.0001148400000000 ] - [ -0.0006175300000000, -0.0011368500000000, -0.0001327200000000 ] - [ -0.0192755200000000, 0.0246407000000000, -0.0100464000000000 ] - [ 0.0009126800000000, 0.0004564100000000, -0.0002663400000000 ] - [ 0.0001443100000000, 0.0004545900000000, -0.0000984300000000 ] - [ -0.0006875400000000, 0.0007749000000000, -0.0000657800000000 ] - [ -0.0006310500000000, 0.0000899700000000, 0.0000416200000000 ] - [ 0.0014614200000000, 0.0004886700000000, 0.0011418300000000 ] - [ -0.0001745500000000, -0.0004478100000000, -0.0017873100000000 ] - [ -0.0000556800000000, -0.0009298900000000, -0.0014490900000000 ] - [ -0.0000707100000000, -0.0003635500000000, -0.0002890600000000 ] - [ 0.0004841000000000, -0.0004041000000000, 0.0003203900000000 ] - [ -0.0000483800000000, -0.0001169800000000, -0.0004475700000000 ] - [ -0.0004490700000000, 0.0005213100000000, -0.0001459300000000 ] - [ -0.0003386500000000, 0.0001901000000000, -0.0002307800000000 ] - [ 0.0003384400000000, -0.0002239800000000, 0.0002128600000000 ] - [ -0.0002312800000000, -0.0001740600000000, 0.0003563400000000 ] - [ 0.0006747900000000, 0.0002538600000000, 0.0002526100000000 ] - [ 0.0284652200000000, -0.0481597000000000, 0.0051061200000000 ] - [ 0.0000377700000000, 0.0004153200000000, 0.0002052400000000 ] - [ -0.0002996700000000, -0.0003608400000000, 0.0003370500000000 ] - [ -0.0000026300000000, -0.0001169600000000, 0.0003193700000000 ] - [ -0.0002512900000000, -0.0006032200000000, 0.0002902700000000 ] - [ 0.0001366600000000, -0.0002093100000000, 0.0001823700000000 ] - [ -0.0009687600000000, 0.0031383500000000, -0.0007152700000000 ] - [ 0.0001956900000000, 0.0000903400000000, -0.0001739700000000 ] - [ -0.0010087200000000, -0.0001104600000000, -0.0000804500000000 ] - [ -0.0001738900000000, -0.0000170200000000, -0.0001049100000000 ] - [ -0.0081047500000000, 0.0037504800000000, -0.0052460800000000 ] - [ -0.0000055800000000, -0.0004179000000000, 0.0002902700000000 ] - [ -0.0011976600000000, -0.0005947800000000, 0.0000362500000000 ] - [ -0.0007397800000000, 0.0008785200000000, -0.0017618800000000 ] - [ -0.0024929900000000, 0.0006851800000000, 0.0016064500000000 ] - [ 0.0003151100000000, -0.0000639000000000, -0.0001554300000000 ] - [ 0.0001300200000000, 0.0002582600000000, -0.0000047100000000 ] - [ -0.0003810700000000, 0.0000512900000000, -0.0002009900000000 ] - [ -0.0000062800000000, -0.0004045700000000, 0.0000487900000000 ] - [ -0.0020638800000000, 0.0009868500000000, -0.0018129600000000 ] - [ 0.0002477600000000, 0.0006149500000000, -0.0000929700000000 ] - [ -0.0001607500000000, 0.0001460300000000, -0.0001972900000000 ] - [ 0.0001828600000000, -0.0000641200000000, 0.0000475700000000 ] - [ 0.0004739500000000, 0.0001409700000000, -0.0000356800000000 ] - [ 0.0000134400000000, 0.0002184300000000, -0.0001622100000000 ] - [ -0.0001281100000000, -0.0003528800000000, 0.0004238000000000 ] - [ 0.0024709200000000, 0.0007682000000000, 0.0034649100000000 ] - [ -0.0000704100000000, -0.0000829900000000, 0.0001777300000000 ] - [ 0.0006032900000000, -0.0048131000000000, 0.0003697300000000 ] - [ -0.0001118600000000, -0.0003182900000000, 0.0001310400000000 ] - [ 0.0000437400000000, 0.0000735200000000, -0.0001852900000000 ] - [ -0.0000918100000000, -0.0000584800000000, -0.0001909200000000 ] - [ 0.0001903000000000, 0.0001631600000000, 0.0001440800000000 ] - [ -0.0000031000000000, 0.0003672300000000, 0.0004116700000000 ] - [ -0.0001286900000000, 0.0001205700000000, 0.0002344800000000 ] - [ -0.0001276000000000, 0.0004434000000000, 0.0003509100000000 ] - [ -0.0001140700000000, -0.0002989700000000, 0.0001944400000000 ] - [ 0.0005547400000000, 0.0001360600000000, 0.0001340800000000 ] - [ 0.0000777800000000, -0.0001591300000000, -0.0000731500000000 ] - [ 0.0001325200000000, 0.0000859100000000, -0.0000731500000000 ] - [ -0.0000983800000000, 0.0001693300000000, 0.0001970200000000 ] - [ -0.0002165800000000, -0.0000155000000000, 0.0000283400000000 ] - [ 0.0000664400000000, 0.0002626200000000, 0.0000259800000000 ] - [ 0.0029576100000000, 0.0009208100000000, -0.0000166500000000 ] - [ -0.0000034700000000, 0.0004485600000000, 0.0001761300000000 ] - [ 0.0000434800000000, 0.0002499400000000, 0.0000144500000000 ] - [ -0.0003365700000000, 0.0000353100000000, -0.0003072300000000 ] - [ 0.0002241100000000, -0.0001857700000000, -0.0001070200000000 ] - [ 0.0002887200000000, 0.0003073000000000, 0.0000120100000000 ] - [ -0.0003661700000000, 0.0002528500000000, -0.0002648000000000 ] - [ 0.0000401100000000, 0.0001823500000000, -0.0000624700000000 ] - [ -0.0000810500000000, -0.0000323100000000, -0.0002062600000000 ] - [ 0.0000224600000000, 0.0004295200000000, 0.0008289300000000 ] - [ -0.0003931600000000, 0.0010665400000000, 0.0010786100000000 ] - [ 0.0001434900000000, 0.0001046800000000, -0.0000717600000000 ] - [ 0.0004336700000000, 0.0002531400000000, 0.0000359100000000 ] - [ 0.0001109600000000, 0.0001766900000000, -0.0000435400000000 ] - [ 0.0002508100000000, -0.0000127400000000, 0.0000671900000000 ] - [ -0.0002410200000000, 0.0004560800000000, 0.0001551000000000 ] - [ -0.0000074200000000, 0.0004896100000000, -0.0001161700000000 ] - [ -0.0000226900000000, -0.0000418100000000, 0.0003415900000000 ] - [ 0.0002629100000000, 0.0002414200000000, 0.0001948700000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002554200000000, 0.0006039500000000, 0.0004124300000000 ] - [ 0.0004487400000000, -0.0009242500000000, -0.0001308200000000 ] - [ -0.0004836700000000, -0.0007338600000000, 0.0001032400000000 ] - [ -0.0000461000000000, -0.0000897200000000, -0.0001778700000000 ] - [ -0.0000472500000000, 0.0002650700000000, 0.0003423700000000 ] - [ -0.0003699000000000, 0.0003923400000000, 0.0003315100000000 ] - [ -0.0001476200000000, 0.0000700100000000, -0.0000577700000000 ] - [ -0.0003146400000000, -0.0007608200000000, 0.0005212100000000 ] - [ 0.0002681300000000, 0.0000093200000000, 0.0002185100000000 ] - [ 0.0000655800000000, 0.0000816900000000, -0.0000839800000000 ] - [ -0.0001234400000000, 0.0001070800000000, 0.0000898700000000 ] - [ -0.0000622300000000, 0.0003359700000000, 0.0000204900000000 ] - [ -0.0001280800000000, 0.0002850200000000, 0.0001240300000000 ] - [ -0.0002417100000000, 0.0002363300000000, -0.0002026800000000 ] - [ 0.0000174200000000, 0.0000438400000000, -0.0003165300000000 ] - [ 0.0000181000000000, 0.0002855900000000, 0.0001840000000000 ] - [ 0.0011832600000000, -0.0009852800000000, 0.0000961300000000 ] - [ -0.0000782500000000, 0.0000197100000000, 0.0000462800000000 ] - [ 0.0003226300000000, -0.0004264500000000, -0.0000623300000000 ] - [ -0.0012846000000000, -0.0143565700000000, -0.0086374900000000 ] - [ 0.0002229800000000, 0.0004927500000000, -0.0002479600000000 ] - [ -0.0000525100000000, 0.0006764500000000, 0.0000777300000000 ] - [ 0.0001833100000000, 0.0001902500000000, -0.0001493000000000 ] - [ -0.0000944300000000, 0.0002984600000000, 0.0001093100000000 ] - [ -0.0006038600000000, -0.0005359000000000, -0.0000511700000000 ] - [ 0.0000875000000000, 0.0005214700000000, -0.0001100700000000 ] - [ 0.0196161700000000, -0.0249146200000000, 0.0095253200000000 ] - [ -0.0001533100000000, -0.0008636700000000, 0.0004183100000000 ] - [ -0.0002814300000000, -0.0002389200000000, -0.0007025400000000 ] - [ -0.0001498300000000, 0.0006098200000000, -0.0000993500000000 ] - [ 0.0001268500000000, 0.0005215000000000, -0.0003050800000000 ] - [ -0.0006903300000000, -0.0000791200000000, -0.0009753600000000 ] - [ -0.0006439700000000, -0.0009319800000000, 0.0015920300000000 ] - [ -0.0004504600000000, 0.0003159200000000, 0.0011840600000000 ] - [ -0.0000727300000000, 0.0001485200000000, -0.0005140700000000 ] - [ 0.0002773400000000, 0.0000013300000000, -0.0001660600000000 ] - [ -0.0000947000000000, 0.0003324100000000, -0.0003546200000000 ] - [ -0.0003855500000000, 0.0008606900000000, -0.0000205000000000 ] - [ -0.0001686900000000, 0.0004238700000000, -0.0000355700000000 ] - [ 0.0004219700000000, 0.0006244900000000, -0.0000617700000000 ] - [ 0.0003721300000000, 0.0001219500000000, -0.0006215900000000 ] - [ -0.0008693100000000, -0.0001615800000000, -0.0005575700000000 ] - [ -0.0284922800000000, 0.0474003800000000, -0.0055333400000000 ] - [ -0.0000368200000000, 0.0004644900000000, 0.0004418600000000 ] - [ -0.0000145800000000, 0.0004008600000000, 0.0001584500000000 ] - [ -0.0001604900000000, 0.0005864400000000, 0.0003827200000000 ] - [ -0.0001109000000000, -0.0002171600000000, 0.0000394100000000 ] - [ 0.0007228500000000, -0.0000914100000000, -0.0001418900000000 ] - [ 0.0011577600000000, -0.0034897800000000, 0.0005752500000000 ] - [ -0.0000536400000000, -0.0000413300000000, -0.0000964300000000 ] - [ 0.0006921200000000, 0.0000723600000000, 0.0005679500000000 ] - [ -0.0002595800000000, -0.0002525800000000, 0.0001353800000000 ] - [ 0.0083054000000000, -0.0038049100000000, 0.0053170600000000 ] - [ 0.0000062800000000, -0.0004630000000000, 0.0003555300000000 ] - [ 0.0012005500000000, 0.0000502000000000, -0.0000149500000000 ] - [ 0.0010967500000000, -0.0008738300000000, 0.0016229800000000 ] - [ 0.0018701500000000, -0.0010081900000000, -0.0020783400000000 ] - [ 0.0001479500000000, -0.0003682000000000, -0.0000760400000000 ] - [ 0.0001600000000000, 0.0000759600000000, 0.0000593200000000 ] - [ -0.0002193200000000, 0.0002695900000000, -0.0002883700000000 ] - [ 0.0000965900000000, 0.0003298500000000, -0.0000485200000000 ] - [ 0.0018453100000000, -0.0010756400000000, 0.0014726900000000 ] - [ 0.0002156700000000, -0.0001854800000000, -0.0001375000000000 ] - [ -0.0002711500000000, 0.0001209400000000, 0.0002214600000000 ] - [ 0.0001754000000000, 0.0000501200000000, -0.0001434300000000 ] - [ 0.0003812000000000, 0.0001605300000000, 0.0000792200000000 ] - [ 0.0001729200000000, 0.0001734000000000, 0.0000409300000000 ] - [ 0.0004065600000000, -0.0000127900000000, -0.0003728200000000 ] - [ -0.0027955400000000, 0.0000692600000000, -0.0031001900000000 ] - [ 0.0000852200000000, 0.0006112400000000, -0.0001505200000000 ] - [ -0.0007986500000000, 0.0043517100000000, 0.0003206000000000 ] - [ 0.0005821200000000, 0.0003924500000000, 0.0002187700000000 ] - [ 0.0000980600000000, -0.0001212600000000, -0.0000851300000000 ] - [ -0.0001094600000000, 0.0001452200000000, -0.0001240600000000 ] - [ 0.0002808600000000, -0.0002360500000000, 0.0002040200000000 ] - [ 0.0000036600000000, 0.0005136400000000, 0.0002340100000000 ] - [ -0.0001862000000000, -0.0000846900000000, 0.0002605500000000 ] - [ -0.0000343000000000, 0.0000261200000000, 0.0003511300000000 ] - [ -0.0002395800000000, -0.0005168200000000, 0.0001423700000000 ] - [ 0.0003000100000000, -0.0004377900000000, -0.0000912300000000 ] - [ 0.0001082400000000, -0.0002331300000000, -0.0000477700000000 ] - [ 0.0000094700000000, -0.0000382400000000, -0.0001977000000000 ] - [ -0.0002170900000000, -0.0002056100000000, 0.0002982900000000 ] - [ -0.0002157300000000, -0.0002574600000000, 0.0000029500000000 ] - [ 0.0000243500000000, -0.0001875500000000, -0.0000263700000000 ] - [ -0.0029093900000000, -0.0017429000000000, 0.0006458500000000 ] - [ 0.0000193600000000, -0.0009760400000000, -0.0001488200000000 ] - [ 0.0003132000000000, -0.0002362600000000, -0.0001082500000000 ] - [ -0.0002637500000000, -0.0003556500000000, -0.0001816500000000 ] - [ 0.0002388000000000, -0.0002438100000000, -0.0001244300000000 ] - [ 0.0000036300000000, 0.0000280000000000, 0.0000432600000000 ] - [ -0.0002353000000000, 0.0000668100000000, -0.0002246000000000 ] - [ 0.0000500500000000, -0.0002570000000000, 0.0000615000000000 ] - [ -0.0001203800000000, -0.0000559700000000, -0.0001074000000000 ] - [ 0.0004349000000000, 0.0000042100000000, -0.0010454000000000 ] - [ -0.0000369500000000, -0.0007865300000000, -0.0010462900000000 ] - [ 0.0002118200000000, -0.0001198600000000, -0.0000223100000000 ] - [ 0.0004221100000000, 0.0000471900000000, 0.0000078700000000 ] - [ 0.0000750600000000, 0.0002148000000000, -0.0000786800000000 ] - [ 0.0000391100000000, -0.0003209800000000, -0.0000121700000000 ] - [ -0.0001125900000000, 0.0003594100000000, 0.0001815900000000 ] - [ 0.0000224600000000, 0.0000369400000000, 0.0001430800000000 ] - [ -0.0001392900000000, -0.0004282000000000, 0.0003605300000000 ] - [ 0.0002080700000000, -0.0001690400000000, 0.0001532400000000 ]- atom: 43 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0001906900000000, -0.0003112200000000, 0.0001019300000000 ] - [ 0.0000003200000000, -0.0002766700000000, 0.0011079000000000 ] - [ -0.0001949900000000, -0.0001267600000000, 0.0007316700000000 ] - [ 0.0001737600000000, 0.0000981200000000, -0.0002731700000000 ] - [ -0.0001148800000000, -0.0000550100000000, -0.0000200500000000 ] - [ 0.0000543300000000, 0.0000536600000000, -0.0002943500000000 ] - [ 0.0000583100000000, -0.0003548000000000, -0.0003544500000000 ] - [ -0.0013899300000000, -0.0003123800000000, 0.0014763900000000 ] - [ 0.0000182000000000, -0.0001786600000000, 0.0002053100000000 ] - [ 0.0000301500000000, -0.0001416200000000, -0.0000291600000000 ] - [ -0.0000841500000000, -0.0001144100000000, 0.0001468500000000 ] - [ -0.0000522300000000, 0.0001817200000000, -0.0000920600000000 ] - [ -0.0001324400000000, 0.0002210200000000, 0.0001690400000000 ] - [ -0.0000785600000000, 0.0001054800000000, -0.0001897500000000 ] - [ 0.0000133900000000, -0.0000546600000000, -0.0001432100000000 ] - [ -0.0000000800000000, 0.0001615300000000, 0.0001135600000000 ] - [ -0.0003180700000000, 0.0011780100000000, 0.0015359100000000 ] - [ 0.0003430500000000, 0.0006594700000000, 0.0001197800000000 ] - [ -0.0001998800000000, 0.0000083000000000, -0.0003067800000000 ] - [ 0.0009459800000000, 0.0066916200000000, 0.0061047000000000 ] - [ 0.0000238600000000, 0.0001521400000000, -0.0001903800000000 ] - [ -0.0000051600000000, 0.0001945100000000, 0.0000653300000000 ] - [ 0.0001395500000000, -0.0001447800000000, -0.0002090400000000 ] - [ 0.0000943900000000, -0.0001432600000000, 0.0001116100000000 ] - [ -0.0004456600000000, -0.0006692800000000, -0.0001508700000000 ] - [ 0.0000533600000000, -0.0003196200000000, 0.0002558400000000 ] - [ 0.0078479200000000, -0.0035329000000000, 0.0167626500000000 ] - [ 0.0007484100000000, 0.0001626400000000, -0.0000262200000000 ] - [ -0.0009449400000000, -0.0007995700000000, 0.0005421500000000 ] - [ -0.0003932800000000, 0.0006428400000000, -0.0001235500000000 ] - [ -0.0003621200000000, 0.0002545400000000, -0.0003541200000000 ] - [ 0.0020316500000000, 0.0023919900000000, 0.0031042600000000 ] - [ -0.0003944900000000, -0.0011538300000000, 0.0010237500000000 ] - [ -0.0002369200000000, -0.0003420400000000, -0.0004279600000000 ] - [ -0.0000715900000000, -0.0001138500000000, -0.0003845800000000 ] - [ 0.0003316200000000, -0.0001967500000000, -0.0000143300000000 ] - [ -0.0000905500000000, 0.0001373600000000, -0.0004246900000000 ] - [ -0.0004055000000000, 0.0007703900000000, -0.0001161700000000 ] - [ -0.0002280400000000, 0.0002691300000000, -0.0000478100000000 ] - [ 0.0003966600000000, 0.0002479500000000, 0.0002414800000000 ] - [ -0.0000598300000000, 0.0004773500000000, -0.0004667400000000 ] - [ 0.0027952700000000, 0.0006208100000000, 0.0010997900000000 ] - [ -0.0107174500000000, -0.0045308500000000, -0.0323606800000000 ] - [ 0.0000025300000000, 0.0004282100000000, 0.0003658700000000 ] - [ -0.0002422900000000, -0.0001349000000000, 0.0004662200000000 ] - [ 0.0001266700000000, 0.0002519900000000, 0.0003568300000000 ] - [ -0.0004526200000000, -0.0002641200000000, 0.0000281000000000 ] - [ 0.0002075200000000, -0.0002226900000000, -0.0001008500000000 ] - [ 0.0020587000000000, 0.0001730600000000, -0.0004778600000000 ] - [ 0.0001250700000000, -0.0001156000000000, -0.0001631200000000 ] - [ -0.0005777100000000, -0.0005468300000000, -0.0008672300000000 ] - [ -0.0002060500000000, -0.0001647600000000, 0.0001070100000000 ] - [ -0.0002852900000000, 0.0001095000000000, -0.0021500700000000 ] - [ 0.0000043800000000, -0.0004377900000000, 0.0002648200000000 ] - [ -0.0003621900000000, -0.0012425800000000, -0.0013114500000000 ] - [ 0.0000424900000000, -0.0003242100000000, -0.0003906300000000 ] - [ -0.0038241800000000, 0.0011863600000000, 0.0017379100000000 ] - [ 0.0001513600000000, -0.0002779000000000, 0.0000007700000000 ] - [ 0.0001096600000000, 0.0000828900000000, 0.0000316700000000 ] - [ -0.0005385800000000, 0.0001267700000000, -0.0000717000000000 ] - [ 0.0001685200000000, 0.0000857200000000, -0.0000409500000000 ] - [ 0.0065904400000000, -0.0001086700000000, 0.0058082200000000 ] - [ 0.0001968600000000, 0.0000873100000000, -0.0001664000000000 ] - [ -0.0003238700000000, 0.0001582900000000, -0.0000407300000000 ] - [ 0.0000843900000000, -0.0000345000000000, 0.0001284700000000 ] - [ 0.0004337100000000, 0.0000933500000000, 0.0002033100000000 ] - [ 0.0000881700000000, 0.0001577100000000, -0.0001723200000000 ] - [ 0.0001491000000000, 0.0000704500000000, -0.0002869200000000 ] - [ 0.0012933100000000, -0.0000722400000000, 0.0011950200000000 ] - [ -0.0000596000000000, 0.0001647200000000, 0.0002164200000000 ] - [ -0.0046079400000000, 0.0000850000000000, -0.0035034500000000 ] - [ 0.0008601900000000, -0.0000374500000000, 0.0000193100000000 ] - [ 0.0000638400000000, -0.0000132500000000, -0.0001184500000000 ] - [ -0.0001069500000000, 0.0000708500000000, -0.0001445300000000 ] - [ 0.0002370500000000, -0.0000477400000000, 0.0001759700000000 ] - [ 0.0000478900000000, 0.0004119000000000, 0.0003435700000000 ] - [ -0.0001673700000000, 0.0000218300000000, 0.0002657100000000 ] - [ -0.0000762800000000, 0.0002184700000000, 0.0003595700000000 ] - [ -0.0001767600000000, -0.0004421500000000, 0.0001796300000000 ] - [ 0.0004527500000000, -0.0001283300000000, 0.0000471600000000 ] - [ 0.0000950500000000, -0.0001891500000000, -0.0000432700000000 ] - [ 0.0000623000000000, 0.0000690500000000, -0.0001032200000000 ] - [ -0.0001243900000000, -0.0000340700000000, 0.0002189300000000 ] - [ -0.0002159000000000, -0.0000711600000000, -0.0000097500000000 ] - [ 0.0000400900000000, 0.0000221400000000, -0.0000150400000000 ] - [ -0.0011107900000000, -0.0014712300000000, 0.0001136300000000 ] - [ -0.0000055000000000, -0.0002259600000000, 0.0000794900000000 ] - [ 0.0001481500000000, 0.0000179700000000, -0.0000179900000000 ] - [ -0.0003299400000000, -0.0001686700000000, -0.0002709500000000 ] - [ 0.0002406200000000, -0.0002713300000000, -0.0000702400000000 ] - [ 0.0001076200000000, 0.0002096300000000, 0.0000118400000000 ] - [ -0.0002624400000000, 0.0001665200000000, -0.0002177500000000 ] - [ 0.0000494300000000, -0.0000552100000000, 0.0000128800000000 ] - [ -0.0001022000000000, -0.0000361400000000, -0.0001621800000000 ] - [ 0.0002925100000000, 0.0000018000000000, -0.0008577100000000 ] - [ -0.0002378300000000, 0.0002229800000000, 0.0002517800000000 ] - [ 0.0001879800000000, 0.0000169900000000, -0.0000264200000000 ] - [ 0.0004191200000000, 0.0001550700000000, 0.0000367200000000 ] - [ 0.0001000600000000, 0.0001850900000000, -0.0000357900000000 ] - [ 0.0001736500000000, -0.0001610200000000, 0.0000330900000000 ] - [ -0.0001740400000000, 0.0004019000000000, 0.0001725800000000 ] - [ 0.0000180100000000, 0.0002559000000000, 0.0000471900000000 ] - [ -0.0000836300000000, -0.0002414000000000, 0.0003515600000000 ] - [ 0.0002364300000000, 0.0000239700000000, 0.0001859200000000 ]- atom: 43 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0000202300000000, -0.0000347200000000, 0.0001831400000000 ] - [ -0.0000895200000000, -0.0000811900000000, -0.0011621700000000 ] - [ 0.0001582500000000, -0.0001464700000000, -0.0004764700000000 ] - [ -0.0002403200000000, 0.0002253900000000, 0.0001492100000000 ] - [ -0.0000956200000000, 0.0004007300000000, 0.0003066800000000 ] - [ -0.0000631400000000, 0.0001365400000000, -0.0001063300000000 ] - [ -0.0000689500000000, 0.0001637600000000, -0.0000431800000000 ] - [ 0.0014155000000000, 0.0006121500000000, -0.0013348800000000 ] - [ -0.0002285800000000, -0.0001680100000000, 0.0000819200000000 ] - [ -0.0000962800000000, -0.0001807100000000, -0.0000937800000000 ] - [ 0.0000481400000000, -0.0001605200000000, 0.0001043200000000 ] - [ -0.0000136100000000, 0.0001394500000000, -0.0000312500000000 ] - [ -0.0000779400000000, 0.0001253900000000, 0.0001178200000000 ] - [ 0.0000679600000000, 0.0000840400000000, -0.0002081300000000 ] - [ -0.0000233800000000, -0.0001371900000000, -0.0002542700000000 ] - [ -0.0000361600000000, 0.0001123500000000, 0.0001372800000000 ] - [ 0.0004924600000000, -0.0009262800000000, -0.0018832100000000 ] - [ -0.0002740400000000, -0.0003129300000000, 0.0001272900000000 ] - [ 0.0003721300000000, -0.0002503400000000, -0.0000446600000000 ] - [ -0.0008631400000000, -0.0068698100000000, -0.0058950500000000 ] - [ 0.0001471600000000, 0.0000924400000000, -0.0001605000000000 ] - [ 0.0000746100000000, 0.0001496000000000, 0.0001843400000000 ] - [ 0.0000319000000000, -0.0001003900000000, -0.0001420400000000 ] - [ -0.0000243100000000, -0.0002045000000000, 0.0001380000000000 ] - [ -0.0003884000000000, -0.0007198200000000, -0.0000162700000000 ] - [ -0.0005394400000000, -0.0002827600000000, -0.0005419600000000 ] - [ -0.0081523500000000, 0.0034218100000000, -0.0178086000000000 ] - [ 0.0000077400000000, -0.0005696100000000, 0.0001759600000000 ] - [ 0.0008140900000000, 0.0010080600000000, -0.0013634600000000 ] - [ -0.0004413300000000, 0.0007454400000000, -0.0000435700000000 ] - [ -0.0001436500000000, 0.0003606300000000, 0.0000898600000000 ] - [ -0.0012804900000000, -0.0019653600000000, -0.0029366400000000 ] - [ -0.0004374500000000, -0.0002337300000000, -0.0011940600000000 ] - [ -0.0002679100000000, -0.0002742200000000, 0.0001598600000000 ] - [ -0.0000718700000000, -0.0000979600000000, -0.0004168700000000 ] - [ 0.0004284100000000, -0.0002093100000000, 0.0001665000000000 ] - [ -0.0000529400000000, 0.0000731700000000, -0.0003773000000000 ] - [ -0.0004278500000000, 0.0006178800000000, -0.0000509600000000 ] - [ -0.0002776200000000, 0.0003443100000000, -0.0002156900000000 ] - [ 0.0003636300000000, 0.0001560300000000, -0.0000895000000000 ] - [ 0.0001984600000000, -0.0005278100000000, 0.0001951900000000 ] - [ -0.0030068400000000, -0.0005170300000000, -0.0013546100000000 ] - [ 0.0112474300000000, 0.0041163600000000, 0.0328158600000000 ] - [ -0.0000019300000000, 0.0004559000000000, 0.0002814500000000 ] - [ -0.0000722500000000, 0.0001740200000000, 0.0000250300000000 ] - [ -0.0002879700000000, 0.0002128300000000, 0.0003408300000000 ] - [ 0.0001074700000000, -0.0005479600000000, 0.0003098900000000 ] - [ 0.0006415400000000, -0.0000858300000000, 0.0001486900000000 ] - [ -0.0018811200000000, -0.0005938300000000, 0.0003552300000000 ] - [ 0.0000135300000000, 0.0001672100000000, -0.0001083800000000 ] - [ 0.0002615300000000, 0.0005088600000000, 0.0013608400000000 ] - [ -0.0002261600000000, -0.0001031100000000, -0.0000764400000000 ] - [ 0.0003453500000000, -0.0000130800000000, 0.0021509000000000 ] - [ -0.0000041500000000, -0.0004462800000000, 0.0003822500000000 ] - [ 0.0003956700000000, 0.0007105000000000, 0.0013365500000000 ] - [ 0.0002916100000000, 0.0003524800000000, 0.0003257600000000 ] - [ 0.0031961400000000, -0.0014962300000000, -0.0022118000000000 ] - [ 0.0003120100000000, -0.0001529400000000, -0.0002312600000000 ] - [ 0.0001838800000000, 0.0002570100000000, 0.0000250700000000 ] - [ -0.0000585100000000, 0.0001918900000000, -0.0004189300000000 ] - [ -0.0000782200000000, -0.0001610300000000, 0.0000415600000000 ] - [ -0.0067069900000000, 0.0000213800000000, -0.0060227900000000 ] - [ 0.0002648500000000, 0.0003439100000000, -0.0000635200000000 ] - [ -0.0001117700000000, 0.0001085300000000, 0.0000793600000000 ] - [ 0.0002736800000000, 0.0000214200000000, -0.0002201600000000 ] - [ 0.0004216800000000, 0.0002083600000000, -0.0001569800000000 ] - [ 0.0000974900000000, 0.0002305900000000, 0.0000539300000000 ] - [ 0.0001448000000000, -0.0004110400000000, 0.0003424500000000 ] - [ -0.0016275900000000, 0.0008878500000000, -0.0008419400000000 ] - [ 0.0000766900000000, 0.0003573300000000, -0.0001886300000000 ] - [ 0.0044519800000000, -0.0005378400000000, 0.0042073900000000 ] - [ -0.0003960700000000, 0.0001085700000000, 0.0003255300000000 ] - [ 0.0000749300000000, -0.0000374700000000, -0.0001533700000000 ] - [ -0.0000951000000000, 0.0000136800000000, -0.0001705700000000 ] - [ 0.0002350600000000, -0.0000221000000000, 0.0001733200000000 ] - [ -0.0000479300000000, 0.0004719700000000, 0.0003040100000000 ] - [ -0.0001481800000000, 0.0000147700000000, 0.0002267800000000 ] - [ -0.0000873000000000, 0.0002478800000000, 0.0003427900000000 ] - [ -0.0001777700000000, -0.0003702000000000, 0.0001554900000000 ] - [ 0.0004027600000000, -0.0001737800000000, -0.0000009700000000 ] - [ 0.0000915200000000, -0.0001991200000000, -0.0000755700000000 ] - [ 0.0000766400000000, -0.0000174200000000, -0.0001681300000000 ] - [ -0.0001908000000000, -0.0000019600000000, 0.0002735100000000 ] - [ -0.0002171600000000, -0.0001953300000000, 0.0000402700000000 ] - [ 0.0000505900000000, 0.0000526700000000, 0.0000142900000000 ] - [ 0.0011079800000000, 0.0006021300000000, 0.0005436900000000 ] - [ 0.0000216500000000, -0.0002955700000000, -0.0000515300000000 ] - [ 0.0002086400000000, -0.0000050500000000, -0.0000725500000000 ] - [ -0.0002698600000000, -0.0001507000000000, -0.0002202900000000 ] - [ 0.0002218900000000, -0.0001605900000000, -0.0001600100000000 ] - [ 0.0001858000000000, 0.0001282800000000, 0.0000448900000000 ] - [ -0.0003372400000000, 0.0001535300000000, -0.0002734300000000 ] - [ 0.0000411900000000, -0.0000184400000000, -0.0000137100000000 ] - [ -0.0000997500000000, -0.0000485300000000, -0.0001530600000000 ] - [ 0.0001708100000000, 0.0004326400000000, 0.0006307400000000 ] - [ -0.0001949200000000, 0.0000474800000000, -0.0002181600000000 ] - [ 0.0001695500000000, -0.0000290200000000, -0.0000643000000000 ] - [ 0.0004354800000000, 0.0001478700000000, 0.0000087400000000 ] - [ 0.0000864500000000, 0.0002033400000000, -0.0000831200000000 ] - [ 0.0001199400000000, -0.0001761300000000, 0.0000235200000000 ] - [ -0.0001807300000000, 0.0004103200000000, 0.0001625900000000 ] - [ -0.0000021200000000, 0.0002683100000000, -0.0000198800000000 ] - [ -0.0000798300000000, -0.0002243600000000, 0.0003506500000000 ] - [ 0.0002361000000000, 0.0000465700000000, 0.0001636600000000 ]- atom: 44 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0001233900000000, -0.0001875800000000, 0.0001350900000000 ] - [ -0.0000723200000000, -0.0001422000000000, -0.0000530700000000 ] - [ 0.0000181300000000, -0.0001488400000000, 0.0001313800000000 ] - [ -0.0000936600000000, 0.0002657900000000, -0.0000772900000000 ] - [ 0.0061040200000000, -0.0016176800000000, 0.0022133000000000 ] - [ 0.0000129200000000, 0.0000830300000000, -0.0002155800000000 ] - [ 0.0025193100000000, 0.0001851700000000, -0.0005998000000000 ] - [ 0.0000340300000000, 0.0000620200000000, 0.0000537400000000 ] - [ 0.0000869000000000, -0.0002658600000000, -0.0003870400000000 ] - [ -0.0000946200000000, -0.0001508500000000, 0.0000195200000000 ] - [ 0.0001832200000000, -0.0001681300000000, 0.0001787600000000 ] - [ -0.0000495500000000, 0.0001957600000000, 0.0000736300000000 ] - [ -0.0000887900000000, 0.0002383600000000, 0.0001540500000000 ] - [ -0.0002963200000000, 0.0001992600000000, -0.0002883600000000 ] - [ -0.0000004200000000, -0.0001362600000000, -0.0001986900000000 ] - [ -0.0000587800000000, 0.0000574600000000, -0.0000153100000000 ] - [ 0.0005686500000000, -0.0000454500000000, -0.0004399700000000 ] - [ 0.0000172400000000, 0.0001654700000000, 0.0001341000000000 ] - [ 0.0000900700000000, -0.0001214200000000, -0.0001852200000000 ] - [ -0.0002750700000000, -0.0003747400000000, 0.0001668800000000 ] - [ 0.0001277000000000, 0.0001197700000000, -0.0001725200000000 ] - [ -0.0007673000000000, 0.0000215600000000, 0.0011915100000000 ] - [ -0.0014899900000000, -0.0001563400000000, -0.0010741100000000 ] - [ -0.0000298900000000, -0.0001718500000000, 0.0001212900000000 ] - [ -0.0004227500000000, -0.0006835000000000, -0.0000843100000000 ] - [ -0.0005963300000000, -0.0004983100000000, -0.0001751100000000 ] - [ -0.0000794500000000, -0.0000775000000000, -0.0005602600000000 ] - [ 0.0004581200000000, -0.0001512000000000, -0.0000519700000000 ] - [ 0.0000160300000000, 0.0001444000000000, -0.0003865700000000 ] - [ 0.0110578900000000, 0.0015763500000000, -0.0066674000000000 ] - [ -0.0002496800000000, 0.0002993200000000, -0.0000938600000000 ] - [ 0.0008660500000000, 0.0000556800000000, 0.0001126000000000 ] - [ -0.0014295800000000, -0.0001228400000000, -0.0015839300000000 ] - [ -0.0002421700000000, -0.0003327200000000, -0.0001828200000000 ] - [ -0.0000267200000000, -0.0001508000000000, -0.0004817700000000 ] - [ -0.0001460700000000, -0.0002539800000000, 0.0001770200000000 ] - [ 0.0033942600000000, 0.0001941900000000, -0.0000342600000000 ] - [ -0.0004011100000000, 0.0006890700000000, -0.0000866000000000 ] - [ -0.0011854800000000, 0.0008165100000000, -0.0002556000000000 ] - [ 0.0003962600000000, 0.0002009800000000, 0.0001745900000000 ] - [ -0.0005709300000000, 0.0000996500000000, -0.0008912900000000 ] - [ -0.0000947700000000, 0.0000362100000000, -0.0001702400000000 ] - [ 0.0002610900000000, 0.0000011400000000, 0.0001863300000000 ] - [ -0.0377056500000000, 0.0051239500000000, 0.0074863000000000 ] - [ -0.0001719500000000, 0.0000241500000000, 0.0002540600000000 ] - [ -0.0000766500000000, 0.0002227800000000, 0.0003554700000000 ] - [ -0.0001739900000000, -0.0004102100000000, 0.0001698200000000 ] - [ 0.0003732900000000, -0.0001481600000000, 0.0001518400000000 ] - [ 0.0000389700000000, -0.0002213300000000, -0.0001356200000000 ] - [ 0.0000700000000000, 0.0000360000000000, -0.0001348300000000 ] - [ -0.0002323600000000, 0.0000366700000000, 0.0003643700000000 ] - [ -0.0002070000000000, -0.0001580400000000, 0.0000254300000000 ] - [ 0.0000484900000000, 0.0001210500000000, 0.0001137900000000 ] - [ -0.0000007200000000, -0.0004455700000000, 0.0003290000000000 ] - [ -0.0000971700000000, -0.0003062000000000, -0.0000814800000000 ] - [ 0.0002657400000000, 0.0001080300000000, -0.0000166200000000 ] - [ -0.0005920100000000, -0.0000668600000000, -0.0003637900000000 ] - [ 0.0005517000000000, -0.0008260300000000, 0.0004733500000000 ] - [ 0.0001492700000000, 0.0001669000000000, 0.0000304100000000 ] - [ -0.0002930300000000, 0.0001346600000000, -0.0002373100000000 ] - [ 0.0001755000000000, -0.0001106500000000, 0.0000217300000000 ] - [ -0.0001767800000000, -0.0002042500000000, 0.0000048800000000 ] - [ 0.0002350600000000, 0.0002239100000000, -0.0001136200000000 ] - [ -0.0002020000000000, 0.0002735800000000, 0.0000827600000000 ] - [ 0.0001899800000000, -0.0000132400000000, -0.0000526500000000 ] - [ 0.0004185300000000, 0.0001437100000000, 0.0000182500000000 ] - [ 0.0000906000000000, 0.0001972700000000, -0.0000606200000000 ] - [ 0.0039269800000000, -0.0002120000000000, 0.0016359100000000 ] - [ -0.0001036200000000, 0.0006130100000000, 0.0001524900000000 ] - [ -0.0000576500000000, 0.0001843400000000, 0.0000726200000000 ] - [ -0.0001656300000000, -0.0001776700000000, 0.0004199600000000 ] - [ 0.0002314200000000, 0.0000412700000000, 0.0001769700000000 ] - [ 0.0000602700000000, -0.0000388800000000, -0.0001353100000000 ] - [ -0.0005632500000000, 0.0000555600000000, -0.0003112400000000 ] - [ 0.0002489500000000, -0.0000379200000000, 0.0002301100000000 ] - [ -0.0000039200000000, 0.0004406900000000, 0.0003286000000000 ] - [ 0.0003455200000000, 0.0000661600000000, 0.0003139300000000 ] - [ 0.0003344000000000, 0.0023501700000000, 0.0012377200000000 ] - [ -0.0005934100000000, -0.0007063800000000, 0.0004370100000000 ] - [ 0.0004329300000000, -0.0001471300000000, 0.0000131400000000 ] - [ 0.0000925300000000, -0.0001936900000000, -0.0000454600000000 ] - [ 0.0017185900000000, 0.0024127700000000, 0.0082547800000000 ] - [ -0.0001773900000000, 0.0000122000000000, 0.0002157800000000 ] - [ -0.0000813700000000, -0.0003000600000000, 0.0002781900000000 ] - [ 0.0000657400000000, 0.0000807900000000, 0.0000467200000000 ] - [ 0.0014779800000000, -0.0008063600000000, 0.0016443300000000 ] - [ 0.0000150900000000, -0.0002950700000000, -0.0000398400000000 ] - [ 0.0001624300000000, 0.0000136800000000, -0.0000390800000000 ] - [ -0.0002921000000000, -0.0001471900000000, -0.0002900600000000 ] - [ 0.0002619300000000, -0.0002210400000000, -0.0001173300000000 ] - [ 0.0047005000000000, -0.0009914800000000, -0.0110384600000000 ] - [ 0.0000268400000000, 0.0001498600000000, -0.0002677000000000 ] - [ -0.0009006900000000, -0.0000459500000000, -0.0001864200000000 ] - [ -0.0001928400000000, -0.0000463000000000, -0.0002550100000000 ] - [ 0.0002531300000000, 0.0000342600000000, -0.0001043700000000 ] - [ -0.0002232400000000, 0.0001437100000000, 0.0000216100000000 ] - [ 0.0005147400000000, -0.0001295100000000, 0.0003549100000000 ] - [ 0.0010282900000000, -0.0000166700000000, -0.0001891600000000 ] - [ 0.0069854600000000, -0.0031949800000000, -0.0009743700000000 ] - [ 0.0001618200000000, -0.0001719100000000, 0.0000291300000000 ] - [ -0.0001559100000000, 0.0004363400000000, 0.0002303800000000 ] - [ 0.0001090100000000, 0.0003167200000000, -0.0000343600000000 ] - [ -0.0000989000000000, -0.0002237400000000, 0.0003669900000000 ] - [ 0.0004508200000000, -0.0028988300000000, -0.0009288600000000 ]- atom: 44 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0000871500000000, -0.0001587100000000, 0.0001517000000000 ] - [ 0.0000070400000000, -0.0001789700000000, -0.0000703600000000 ] - [ -0.0000544800000000, -0.0001246000000000, 0.0001192400000000 ] - [ 0.0000266400000000, 0.0000554800000000, -0.0000438400000000 ] - [ -0.0061041100000000, 0.0018772100000000, -0.0018694300000000 ] - [ -0.0000222400000000, 0.0001087300000000, -0.0001822600000000 ] - [ -0.0026441000000000, -0.0004063100000000, 0.0002053000000000 ] - [ -0.0000687200000000, 0.0002118200000000, 0.0002001300000000 ] - [ -0.0002998700000000, -0.0000807200000000, 0.0006767100000000 ] - [ 0.0000277700000000, -0.0001711600000000, -0.0001448100000000 ] - [ -0.0002179200000000, -0.0001111100000000, 0.0000737100000000 ] - [ -0.0000168800000000, 0.0001261200000000, -0.0001953300000000 ] - [ -0.0001223000000000, 0.0001088600000000, 0.0001319900000000 ] - [ 0.0002925000000000, -0.0000112900000000, -0.0001028600000000 ] - [ -0.0000088000000000, -0.0000549200000000, -0.0002000400000000 ] - [ 0.0000235700000000, 0.0002170900000000, 0.0002676900000000 ] - [ -0.0004003200000000, 0.0002942900000000, 0.0000888700000000 ] - [ 0.0000533600000000, 0.0001797400000000, 0.0001161000000000 ] - [ 0.0000813600000000, -0.0001223500000000, -0.0001654300000000 ] - [ 0.0003496800000000, 0.0000612700000000, 0.0000874700000000 ] - [ 0.0000443400000000, 0.0001254700000000, -0.0001786700000000 ] - [ 0.0008417700000000, 0.0003461400000000, -0.0009333000000000 ] - [ 0.0016621900000000, -0.0000732900000000, 0.0007307400000000 ] - [ 0.0001000200000000, -0.0001741500000000, 0.0001283200000000 ] - [ -0.0004120700000000, -0.0007048900000000, -0.0000834000000000 ] - [ 0.0000959000000000, -0.0001163700000000, -0.0000926500000000 ] - [ -0.0000636400000000, -0.0001296200000000, -0.0002425400000000 ] - [ 0.0003013700000000, -0.0002537800000000, 0.0002053500000000 ] - [ -0.0001593200000000, 0.0000645400000000, -0.0004138400000000 ] - [ -0.0118170400000000, -0.0002392900000000, 0.0061782300000000 ] - [ -0.0002556400000000, 0.0003157700000000, -0.0001716400000000 ] - [ -0.0001110000000000, 0.0003542400000000, 0.0000391000000000 ] - [ 0.0005176000000000, -0.0012731200000000, 0.0014350400000000 ] - [ -0.0002637400000000, -0.0002811900000000, -0.0000796400000000 ] - [ -0.0001160300000000, -0.0000625500000000, -0.0003202800000000 ] - [ 0.0009078400000000, -0.0001538200000000, -0.0000280500000000 ] - [ -0.0035378000000000, 0.0000167800000000, -0.0007618600000000 ] - [ -0.0004335800000000, 0.0007008300000000, -0.0000808700000000 ] - [ 0.0006818500000000, -0.0001868900000000, -0.0000092400000000 ] - [ 0.0003641300000000, 0.0002023200000000, -0.0000268400000000 ] - [ 0.0007266200000000, -0.0001581800000000, 0.0006244100000000 ] - [ -0.0001068400000000, 0.0000475800000000, -0.0001454600000000 ] - [ 0.0002112300000000, -0.0000721700000000, 0.0001640400000000 ] - [ 0.0374898300000000, -0.0037822000000000, -0.0065722600000000 ] - [ -0.0001435800000000, 0.0000120000000000, 0.0002366900000000 ] - [ -0.0000876300000000, 0.0002426800000000, 0.0003469000000000 ] - [ -0.0001803600000000, -0.0004007100000000, 0.0001643200000000 ] - [ 0.0004812100000000, -0.0001543400000000, -0.0001067500000000 ] - [ 0.0001512600000000, -0.0001643000000000, 0.0000152800000000 ] - [ 0.0000682400000000, 0.0000154000000000, -0.0001377200000000 ] - [ -0.0000823800000000, -0.0000745900000000, 0.0001260900000000 ] - [ -0.0002254400000000, -0.0001077400000000, 0.0000053400000000 ] - [ 0.0000424100000000, -0.0000450300000000, -0.0001138100000000 ] - [ 0.0000012500000000, -0.0004387200000000, 0.0003191500000000 ] - [ 0.0001156300000000, -0.0002154900000000, 0.0001108600000000 ] - [ 0.0000848600000000, -0.0001004000000000, -0.0000764200000000 ] - [ -0.0000015800000000, -0.0002501100000000, -0.0001201500000000 ] - [ -0.0000893500000000, 0.0003973200000000, -0.0006715900000000 ] - [ 0.0001452500000000, 0.0001715900000000, 0.0000258500000000 ] - [ -0.0003059600000000, 0.0001845900000000, -0.0002551200000000 ] - [ -0.0000842100000000, 0.0000339700000000, -0.0000226600000000 ] - [ -0.0000247400000000, 0.0001176700000000, -0.0003165300000000 ] - [ 0.0002281200000000, 0.0002070000000000, -0.0001165900000000 ] - [ -0.0002298800000000, -0.0000086700000000, -0.0000493100000000 ] - [ 0.0001673300000000, 0.0000010900000000, -0.0000367400000000 ] - [ 0.0004364400000000, 0.0001592000000000, 0.0000285100000000 ] - [ 0.0000964100000000, 0.0001894900000000, -0.0000577000000000 ] - [ -0.0036083900000000, -0.0001181500000000, -0.0016867400000000 ] - [ -0.0002485100000000, 0.0001999000000000, 0.0001783900000000 ] - [ 0.0000741200000000, 0.0003393900000000, -0.0000477000000000 ] - [ 0.0000011300000000, -0.0002894000000000, 0.0002832600000000 ] - [ 0.0002415400000000, 0.0000288600000000, 0.0001718500000000 ] - [ 0.0000783200000000, -0.0000132400000000, -0.0001372900000000 ] - [ 0.0003627300000000, 0.0000251900000000, -0.0000073600000000 ] - [ 0.0002230600000000, -0.0000312400000000, 0.0001195600000000 ] - [ 0.0000045300000000, 0.0004439400000000, 0.0003188500000000 ] - [ -0.0006641700000000, -0.0000312500000000, 0.0001790300000000 ] - [ -0.0004989200000000, -0.0018907400000000, -0.0005405700000000 ] - [ 0.0002410000000000, -0.0001038000000000, -0.0000917000000000 ] - [ 0.0004221800000000, -0.0001560100000000, 0.0000334200000000 ] - [ 0.0000942800000000, -0.0001936700000000, -0.0000731100000000 ] - [ -0.0015903400000000, -0.0023484100000000, -0.0085067700000000 ] - [ -0.0001381300000000, -0.0000480100000000, 0.0002757200000000 ] - [ -0.0003450900000000, 0.0000307400000000, -0.0002443300000000 ] - [ 0.0000245000000000, -0.0000041400000000, -0.0000474300000000 ] - [ -0.0014628300000000, -0.0000811400000000, -0.0010320800000000 ] - [ 0.0000016600000000, -0.0002244400000000, 0.0000687200000000 ] - [ 0.0001954400000000, -0.0000017400000000, -0.0000509800000000 ] - [ -0.0003068800000000, -0.0001721400000000, -0.0002013900000000 ] - [ 0.0002013800000000, -0.0002103800000000, -0.0001129600000000 ] - [ -0.0044373100000000, 0.0013402800000000, 0.0111791000000000 ] - [ -0.0006228300000000, 0.0001669400000000, -0.0002250800000000 ] - [ 0.0009915100000000, -0.0000311100000000, 0.0001841200000000 ] - [ -0.0000094100000000, -0.0000376100000000, -0.0000612600000000 ] - [ 0.0002180200000000, 0.0003985200000000, -0.0001271200000000 ] - [ -0.0002088300000000, 0.0001213300000000, 0.0000081000000000 ] - [ -0.0001520800000000, 0.0001129100000000, -0.0004445200000000 ] - [ -0.0001729200000000, 0.0003164500000000, 0.0002454100000000 ] - [ -0.0067506500000000, 0.0032200000000000, 0.0007842200000000 ] - [ 0.0001322400000000, -0.0001675300000000, 0.0000273100000000 ] - [ -0.0001982600000000, 0.0003752300000000, 0.0001045700000000 ] - [ -0.0000929700000000, 0.0002055300000000, 0.0000621200000000 ] - [ -0.0000650500000000, -0.0002408800000000, 0.0003357200000000 ] - [ 0.0000195600000000, 0.0029652900000000, 0.0012717700000000 ]- atom: 44 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001065400000000, -0.0001753600000000, 0.0001407400000000 ] - [ -0.0000447600000000, -0.0001524700000000, -0.0000791100000000 ] - [ -0.0000181800000000, -0.0001423000000000, 0.0001249300000000 ] - [ -0.0001211900000000, 0.0003144800000000, -0.0000756900000000 ] - [ -0.0019723600000000, 0.0003997400000000, -0.0001989300000000 ] - [ -0.0000036100000000, 0.0000918600000000, -0.0002052500000000 ] - [ 0.0002288000000000, -0.0002221600000000, -0.0002337200000000 ] - [ 0.0000687200000000, 0.0002618600000000, 0.0001136800000000 ] - [ -0.0000588500000000, -0.0001909700000000, 0.0000368600000000 ] - [ 0.0000052700000000, -0.0000983300000000, -0.0000357700000000 ] - [ -0.0001038400000000, 0.0006665000000000, -0.0003855900000000 ] - [ 0.0000445800000000, 0.0001245200000000, -0.0002256900000000 ] - [ -0.0000823900000000, 0.0000964000000000, 0.0001770900000000 ] - [ 0.0000401600000000, 0.0000634300000000, -0.0001674600000000 ] - [ -0.0000187500000000, -0.0001390900000000, -0.0001564900000000 ] - [ -0.0000732000000000, 0.0001242300000000, 0.0000152800000000 ] - [ 0.0000425900000000, 0.0000061900000000, -0.0000801100000000 ] - [ 0.0000382500000000, 0.0001398900000000, 0.0001311600000000 ] - [ 0.0000807000000000, -0.0001500300000000, -0.0001699100000000 ] - [ 0.0000933500000000, -0.0004223400000000, 0.0003094000000000 ] - [ 0.0000767500000000, 0.0001749900000000, -0.0001687100000000 ] - [ -0.0035814500000000, 0.0028900900000000, 0.0032317600000000 ] - [ 0.0032632400000000, 0.0024584000000000, 0.0029313900000000 ] - [ 0.0000284400000000, -0.0001460600000000, 0.0001409400000000 ] - [ -0.0004289400000000, -0.0006996400000000, -0.0000811300000000 ] - [ -0.0003674600000000, -0.0003079600000000, -0.0001300000000000 ] - [ -0.0000545200000000, -0.0000669400000000, -0.0004023600000000 ] - [ 0.0003718000000000, -0.0004536300000000, 0.0003433800000000 ] - [ -0.0000822900000000, -0.0000135900000000, -0.0004344600000000 ] - [ 0.0003813400000000, 0.0016061900000000, -0.0032199100000000 ] - [ -0.0002573000000000, 0.0002627900000000, -0.0000492100000000 ] - [ 0.0004902000000000, 0.0002198600000000, 0.0001675100000000 ] - [ -0.0015491500000000, -0.0010887900000000, -0.0004049900000000 ] - [ -0.0002345600000000, -0.0003110600000000, -0.0001594800000000 ] - [ -0.0001349500000000, 0.0000920600000000, -0.0003678600000000 ] - [ 0.0003862400000000, 0.0000930000000000, 0.0000509700000000 ] - [ -0.0006899900000000, 0.0000040900000000, -0.0011627800000000 ] - [ -0.0004280200000000, 0.0006249100000000, -0.0000898800000000 ] - [ -0.0003811100000000, -0.0002229800000000, 0.0006082800000000 ] - [ 0.0004041600000000, 0.0002883900000000, 0.0001521700000000 ] - [ 0.0001170500000000, 0.0000777300000000, -0.0000610800000000 ] - [ -0.0001031800000000, 0.0000433100000000, -0.0001391000000000 ] - [ 0.0002509500000000, -0.0000572900000000, 0.0001642900000000 ] - [ 0.0045764600000000, -0.1073851700000000, -0.0045342800000000 ] - [ -0.0001403400000000, 0.0000186000000000, 0.0002427200000000 ] - [ -0.0000954800000000, 0.0002581700000000, 0.0003493200000000 ] - [ -0.0001674900000000, -0.0003859700000000, 0.0001659900000000 ] - [ 0.0005503200000000, -0.0001523500000000, -0.0000600200000000 ] - [ -0.0001187900000000, -0.0000033600000000, 0.0001086100000000 ] - [ 0.0000721100000000, 0.0000513400000000, -0.0001334400000000 ] - [ -0.0001842700000000, -0.0000020700000000, 0.0002269100000000 ] - [ -0.0002156700000000, -0.0000375100000000, -0.0000703400000000 ] - [ 0.0000412500000000, 0.0000642900000000, 0.0000168500000000 ] - [ 0.0000041500000000, -0.0004564500000000, 0.0003192500000000 ] - [ 0.0000114500000000, -0.0002387700000000, 0.0000220800000000 ] - [ 0.0002461000000000, 0.0000536200000000, 0.0000294200000000 ] - [ -0.0003134700000000, -0.0001297900000000, -0.0003038900000000 ] - [ 0.0001694700000000, 0.0077834900000000, -0.0037963100000000 ] - [ 0.0001427700000000, 0.0001981100000000, 0.0000222500000000 ] - [ -0.0003253200000000, 0.0001694900000000, -0.0002555200000000 ] - [ 0.0000405600000000, 0.0000965500000000, -0.0000204600000000 ] - [ -0.0000941000000000, 0.0000098200000000, -0.0000677100000000 ] - [ 0.0002388600000000, 0.0002179300000000, -0.0001146400000000 ] - [ -0.0002664100000000, 0.0002482400000000, 0.0001107900000000 ] - [ 0.0001803700000000, 0.0000196500000000, -0.0000519700000000 ] - [ 0.0004259700000000, 0.0001737700000000, 0.0000165800000000 ] - [ 0.0000936400000000, 0.0002054700000000, -0.0000610300000000 ] - [ 0.0008049900000000, 0.0010096800000000, -0.0035468200000000 ] - [ -0.0001890800000000, 0.0003986900000000, -0.0001332700000000 ] - [ 0.0000762600000000, 0.0011766700000000, 0.0001901000000000 ] - [ -0.0000674100000000, -0.0002282400000000, 0.0003596700000000 ] - [ 0.0002503100000000, 0.0000577800000000, 0.0001743900000000 ] - [ 0.0000654200000000, -0.0000256800000000, -0.0001320700000000 ] - [ -0.0001451800000000, 0.0001738800000000, -0.0000720400000000 ] - [ 0.0002748600000000, -0.0001074600000000, 0.0001539900000000 ] - [ -0.0000009300000000, 0.0004412000000000, 0.0003418000000000 ] - [ -0.0001511800000000, -0.0000606900000000, 0.0000139900000000 ] - [ 0.0002539500000000, 0.0008256400000000, 0.0008576800000000 ] - [ -0.0006222300000000, -0.0003822600000000, -0.0001644800000000 ] - [ 0.0004247900000000, -0.0001553600000000, 0.0000335400000000 ] - [ 0.0000973900000000, -0.0001878500000000, -0.0000552800000000 ] - [ 0.0004663800000000, 0.0010399800000000, 0.0009558500000000 ] - [ -0.0001714600000000, -0.0000981800000000, 0.0002562900000000 ] - [ -0.0005977700000000, -0.0000630700000000, -0.0002710300000000 ] - [ 0.0001273100000000, -0.0000719000000000, 0.0000815000000000 ] - [ 0.0003682900000000, -0.0004701400000000, 0.0002189900000000 ] - [ -0.0000281700000000, -0.0003321000000000, 0.0000268300000000 ] - [ 0.0001714600000000, -0.0000068000000000, -0.0000439600000000 ] - [ -0.0003086400000000, -0.0001746200000000, -0.0002677800000000 ] - [ 0.0002281000000000, -0.0001593400000000, -0.0001183700000000 ] - [ 0.0006564200000000, 0.0008075600000000, -0.0001574200000000 ] - [ -0.0002978100000000, 0.0000214700000000, -0.0003272800000000 ] - [ 0.0001726200000000, -0.0000135000000000, 0.0000938800000000 ] - [ -0.0000313200000000, -0.0000271200000000, -0.0000969700000000 ] - [ 0.0001533900000000, 0.0005728200000000, 0.0002471800000000 ] - [ -0.0002217900000000, 0.0001248100000000, 0.0000246400000000 ] - [ -0.0005191600000000, 0.0000396400000000, -0.0010196000000000 ] - [ 0.0011673100000000, 0.0001060800000000, -0.0011916200000000 ] - [ -0.0027003700000000, 0.0875241800000000, 0.0096696500000000 ] - [ 0.0001550100000000, -0.0001634000000000, 0.0000280200000000 ] - [ -0.0001779000000000, 0.0003915900000000, 0.0001401200000000 ] - [ -0.0000167000000000, 0.0000797200000000, 0.0000203800000000 ] - [ -0.0000423700000000, -0.0003070500000000, 0.0003929600000000 ] - [ -0.0000129200000000, 0.0014022900000000, 0.0012001500000000 ]- atom: 44 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001053000000000, -0.0001745000000000, 0.0001467500000000 ] - [ -0.0000224000000000, -0.0001710500000000, -0.0000459300000000 ] - [ -0.0000170300000000, -0.0001339900000000, 0.0001260200000000 ] - [ 0.0000744500000000, -0.0000081400000000, -0.0000404100000000 ] - [ 0.0017791500000000, -0.0000368800000000, 0.0004809900000000 ] - [ -0.0000053000000000, 0.0000959100000000, -0.0001911700000000 ] - [ -0.0002408700000000, 0.0000388000000000, -0.0001685300000000 ] - [ -0.0001243000000000, -0.0000015800000000, 0.0001427200000000 ] - [ -0.0001528400000000, -0.0001497900000000, 0.0002496200000000 ] - [ -0.0000720900000000, -0.0002223100000000, -0.0000833900000000 ] - [ 0.0000675500000000, -0.0009391000000000, 0.0006549500000000 ] - [ -0.0001063100000000, 0.0001936500000000, 0.0000973400000000 ] - [ -0.0001268300000000, 0.0002431300000000, 0.0001102000000000 ] - [ -0.0000492000000000, 0.0001298900000000, -0.0002313200000000 ] - [ 0.0000078800000000, -0.0000588400000000, -0.0002406300000000 ] - [ 0.0000322700000000, 0.0001469300000000, 0.0002301200000000 ] - [ 0.0001277100000000, 0.0002438200000000, -0.0002674200000000 ] - [ 0.0000350900000000, 0.0001957400000000, 0.0001172700000000 ] - [ 0.0000872100000000, -0.0001028600000000, -0.0001827700000000 ] - [ -0.0000288300000000, 0.0000933200000000, -0.0000597400000000 ] - [ 0.0000962300000000, 0.0000651400000000, -0.0001796000000000 ] - [ 0.0036730100000000, -0.0024742100000000, -0.0030246700000000 ] - [ -0.0031230600000000, -0.0026273000000000, -0.0033345500000000 ] - [ 0.0000407800000000, -0.0002066600000000, 0.0001110000000000 ] - [ -0.0004052400000000, -0.0006920400000000, -0.0000845400000000 ] - [ -0.0001212100000000, -0.0003000600000000, -0.0001297100000000 ] - [ -0.0000936600000000, -0.0001496700000000, -0.0003971100000000 ] - [ 0.0003886000000000, 0.0000300200000000, -0.0001768500000000 ] - [ -0.0000615800000000, 0.0002235900000000, -0.0003663900000000 ] - [ -0.0012200100000000, 0.0000589500000000, 0.0029664100000000 ] - [ -0.0002482900000000, 0.0003427300000000, -0.0002144100000000 ] - [ 0.0002673200000000, 0.0001797300000000, -0.0000189100000000 ] - [ 0.0006887700000000, -0.0003059000000000, 0.0002428400000000 ] - [ -0.0002696000000000, -0.0003066900000000, -0.0001082500000000 ] - [ -0.0000113300000000, -0.0002987100000000, -0.0004313600000000 ] - [ 0.0003752100000000, -0.0004968400000000, 0.0000918400000000 ] - [ 0.0005431900000000, 0.0001765000000000, 0.0003259600000000 ] - [ -0.0004078800000000, 0.0007562600000000, -0.0000789400000000 ] - [ -0.0001261000000000, 0.0008407100000000, -0.0009038500000000 ] - [ 0.0003542100000000, 0.0001147700000000, 0.0000035100000000 ] - [ 0.0000251000000000, -0.0001344000000000, -0.0002154200000000 ] - [ -0.0000995100000000, 0.0000426900000000, -0.0001758400000000 ] - [ 0.0002212300000000, -0.0000110200000000, 0.0001847200000000 ] - [ -0.0043612000000000, 0.1036252600000000, 0.0049932500000000 ] - [ -0.0001715200000000, 0.0000250200000000, 0.0002479900000000 ] - [ -0.0000692300000000, 0.0002094800000000, 0.0003529900000000 ] - [ -0.0001863000000000, -0.0004267900000000, 0.0001705500000000 ] - [ 0.0002979500000000, -0.0001471900000000, 0.0001026200000000 ] - [ 0.0003149200000000, -0.0003846300000000, -0.0002399600000000 ] - [ 0.0000678400000000, 0.0000042200000000, -0.0001377600000000 ] - [ -0.0001313500000000, -0.0000354400000000, 0.0002651400000000 ] - [ -0.0002170400000000, -0.0002183000000000, 0.0000969800000000 ] - [ 0.0000501700000000, 0.0000123100000000, -0.0000192700000000 ] - [ -0.0000035400000000, -0.0004269800000000, 0.0003283700000000 ] - [ 0.0000036000000000, -0.0002842400000000, 0.0000043300000000 ] - [ 0.0001043000000000, -0.0000458000000000, -0.0001252600000000 ] - [ -0.0002918200000000, -0.0001916300000000, -0.0001909800000000 ] - [ 0.0003006200000000, -0.0083154000000000, 0.0034972300000000 ] - [ 0.0001501200000000, 0.0001441300000000, 0.0000330300000000 ] - [ -0.0002775700000000, 0.0001567400000000, -0.0002368400000000 ] - [ 0.0000493100000000, -0.0001691300000000, 0.0000197500000000 ] - [ -0.0001054200000000, -0.0000972800000000, -0.0002526400000000 ] - [ 0.0002244100000000, 0.0002145500000000, -0.0001154500000000 ] - [ -0.0001697900000000, 0.0000094400000000, -0.0000868300000000 ] - [ 0.0001751300000000, -0.0000286100000000, -0.0000381300000000 ] - [ 0.0004301300000000, 0.0001320200000000, 0.0000290900000000 ] - [ 0.0000934100000000, 0.0001840500000000, -0.0000581900000000 ] - [ -0.0004975000000000, -0.0013974000000000, 0.0036004800000000 ] - [ -0.0001653100000000, 0.0004111200000000, 0.0004723300000000 ] - [ -0.0000601700000000, -0.0006472500000000, -0.0001624600000000 ] - [ -0.0000924800000000, -0.0002364400000000, 0.0003406200000000 ] - [ 0.0002224200000000, 0.0000147200000000, 0.0001748900000000 ] - [ 0.0000721000000000, -0.0000213700000000, -0.0001406000000000 ] - [ -0.0000556800000000, -0.0000926100000000, -0.0002381400000000 ] - [ 0.0001977500000000, 0.0000361100000000, 0.0001921200000000 ] - [ 0.0000015400000000, 0.0004419000000000, 0.0003061300000000 ] - [ -0.0001735400000000, 0.0000896900000000, 0.0004769400000000 ] - [ -0.0003940100000000, -0.0002963200000000, -0.0001384100000000 ] - [ 0.0002599800000000, -0.0004277500000000, 0.0005236500000000 ] - [ 0.0004306900000000, -0.0001453200000000, 0.0000118800000000 ] - [ 0.0000894300000000, -0.0001997500000000, -0.0000643600000000 ] - [ -0.0003544200000000, -0.0010376400000000, -0.0012516400000000 ] - [ -0.0001439400000000, 0.0000624800000000, 0.0002345200000000 ] - [ 0.0001655700000000, -0.0002135100000000, 0.0003105300000000 ] - [ -0.0000361800000000, 0.0001476900000000, -0.0000826100000000 ] - [ -0.0003584600000000, -0.0004133500000000, 0.0004247600000000 ] - [ 0.0000455300000000, -0.0001888100000000, -0.0000005100000000 ] - [ 0.0001848000000000, 0.0000208800000000, -0.0000478100000000 ] - [ -0.0002911700000000, -0.0001442700000000, -0.0002249500000000 ] - [ 0.0002346800000000, -0.0002654600000000, -0.0001131500000000 ] - [ -0.0003298800000000, -0.0005067900000000, 0.0001810100000000 ] - [ -0.0002928500000000, 0.0002892100000000, -0.0001656100000000 ] - [ -0.0000821000000000, -0.0000481500000000, -0.0000893700000000 ] - [ -0.0001665000000000, -0.0000586900000000, -0.0002153900000000 ] - [ 0.0003083100000000, -0.0001482400000000, -0.0004768300000000 ] - [ -0.0002106000000000, 0.0001447900000000, 0.0000073900000000 ] - [ 0.0008586000000000, -0.0000579900000000, 0.0009314900000000 ] - [ -0.0002954500000000, 0.0001878100000000, 0.0012372800000000 ] - [ 0.0026696400000000, -0.0827232000000000, -0.0092962200000000 ] - [ 0.0001383600000000, -0.0001710000000000, 0.0000281800000000 ] - [ -0.0001779000000000, 0.0004194900000000, 0.0001926700000000 ] - [ 0.0000335800000000, 0.0004384100000000, 0.0000105800000000 ] - [ -0.0001209100000000, -0.0001601700000000, 0.0003077300000000 ] - [ 0.0004627300000000, -0.0012584000000000, -0.0008276900000000 ]- atom: 44 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0000770800000000, -0.0001447600000000, 0.0002073600000000 ] - [ -0.0000288800000000, -0.0000318800000000, -0.0002702700000000 ] - [ -0.0000603400000000, -0.0000277800000000, 0.0000287500000000 ] - [ 0.0007621700000000, -0.0002206800000000, 0.0004904600000000 ] - [ 0.0000121200000000, 0.0001919200000000, -0.0008401600000000 ] - [ -0.0000374900000000, 0.0000932400000000, -0.0000850600000000 ] - [ -0.0015065800000000, -0.0004352700000000, -0.0004436100000000 ] - [ -0.0007888800000000, -0.0001452700000000, 0.0006277600000000 ] - [ -0.0003132800000000, -0.0003262700000000, 0.0004176000000000 ] - [ -0.0000934100000000, -0.0002482100000000, -0.0002836600000000 ] - [ -0.0000627300000000, 0.0001115200000000, -0.0007333200000000 ] - [ -0.0000264200000000, 0.0001738000000000, -0.0000495700000000 ] - [ -0.0001300500000000, 0.0001042000000000, 0.0001005100000000 ] - [ 0.0005878200000000, -0.0004546600000000, 0.0006198300000000 ] - [ 0.0000097500000000, -0.0001269700000000, -0.0002545700000000 ] - [ -0.0000179000000000, 0.0001791900000000, 0.0001907700000000 ] - [ -0.0004165200000000, 0.0007625700000000, 0.0000950500000000 ] - [ 0.0002081800000000, 0.0001145800000000, 0.0000783500000000 ] - [ -0.0000864700000000, -0.0001842100000000, -0.0001896000000000 ] - [ 0.0001730500000000, 0.0038472300000000, 0.0009356500000000 ] - [ 0.0000968500000000, 0.0000984600000000, -0.0001822900000000 ] - [ 0.0004112300000000, 0.0018120200000000, 0.0005250600000000 ] - [ 0.0004523100000000, 0.0013961100000000, 0.0008367800000000 ] - [ 0.0000258300000000, -0.0002242300000000, 0.0001280400000000 ] - [ -0.0004063100000000, -0.0006484500000000, -0.0000783100000000 ] - [ 0.0006523200000000, -0.0002224900000000, -0.0004241700000000 ] - [ -0.0002540300000000, -0.0000304000000000, -0.0003304700000000 ] - [ 0.0003571400000000, -0.0011346100000000, 0.0012245800000000 ] - [ -0.0001330400000000, 0.0000397500000000, -0.0003246800000000 ] - [ -0.0103033600000000, -0.0041192200000000, 0.0831342800000000 ] - [ -0.0002092000000000, 0.0002287800000000, -0.0004290300000000 ] - [ 0.0005091300000000, 0.0004869500000000, 0.0005647300000000 ] - [ -0.0065499600000000, -0.0031433700000000, 0.0013105300000000 ] - [ -0.0002611200000000, -0.0002873900000000, 0.0000432700000000 ] - [ -0.0001550500000000, -0.0003313000000000, -0.0003647000000000 ] - [ 0.0006142100000000, 0.0000046200000000, 0.0001180000000000 ] - [ -0.0012177300000000, 0.0001827900000000, -0.0004813200000000 ] - [ -0.0004266100000000, 0.0006733900000000, -0.0001120000000000 ] - [ -0.0000215500000000, -0.0001575000000000, 0.0005399800000000 ] - [ 0.0003908500000000, 0.0000766300000000, -0.0002994200000000 ] - [ 0.0014172000000000, -0.0003566400000000, 0.0003540900000000 ] - [ -0.0000900700000000, 0.0001233500000000, -0.0000614700000000 ] - [ 0.0002255800000000, -0.0001594300000000, 0.0002123900000000 ] - [ 0.0193652800000000, -0.0051162500000000, -0.1015326100000000 ] - [ 0.0000107600000000, 0.0002177300000000, 0.0001467600000000 ] - [ -0.0001291000000000, 0.0002455400000000, 0.0003284700000000 ] - [ -0.0002010800000000, -0.0003760500000000, 0.0001347200000000 ] - [ 0.0001572600000000, -0.0002361500000000, 0.0001840300000000 ] - [ 0.0006010500000000, -0.0000212300000000, -0.0005145200000000 ] - [ 0.0000917000000000, 0.0000253600000000, -0.0001324400000000 ] - [ -0.0002007100000000, -0.0001913300000000, 0.0001621400000000 ] - [ -0.0002537100000000, 0.0002693400000000, 0.0000217700000000 ] - [ 0.0000513200000000, -0.0001948300000000, -0.0001365600000000 ] - [ 0.0000052000000000, -0.0004355900000000, 0.0003954200000000 ] - [ -0.0000129500000000, -0.0004789400000000, -0.0001051100000000 ] - [ -0.0006243000000000, -0.0005633700000000, -0.0005574400000000 ] - [ -0.0006907600000000, -0.0005648200000000, -0.0003542200000000 ] - [ -0.0000000200000000, 0.0019686900000000, -0.0054424600000000 ] - [ 0.0001469500000000, 0.0001877800000000, 0.0000172200000000 ] - [ -0.0004444900000000, 0.0003633400000000, -0.0003429500000000 ] - [ -0.0000053300000000, 0.0000385100000000, -0.0000338900000000 ] - [ 0.0001662000000000, -0.0000121700000000, -0.0001994100000000 ] - [ 0.0002239700000000, 0.0002543200000000, -0.0001219600000000 ] - [ -0.0004581600000000, -0.0001368200000000, -0.0000305200000000 ] - [ 0.0000723400000000, 0.0000825800000000, 0.0000358500000000 ] - [ 0.0005049800000000, 0.0002309800000000, 0.0000846800000000 ] - [ 0.0001070400000000, 0.0001754200000000, -0.0000589700000000 ] - [ 0.0024112700000000, -0.0022499500000000, 0.0023168500000000 ] - [ -0.0000187900000000, 0.0000412200000000, 0.0000375900000000 ] - [ 0.0001063900000000, 0.0011576900000000, -0.0002248600000000 ] - [ 0.0000585300000000, -0.0004385700000000, 0.0002545400000000 ] - [ 0.0002631200000000, 0.0000633800000000, 0.0001236800000000 ] - [ 0.0000795300000000, -0.0000392200000000, -0.0001489500000000 ] - [ 0.0000437200000000, -0.0000997300000000, -0.0000316700000000 ] - [ 0.0002248400000000, 0.0000494300000000, 0.0001728100000000 ] - [ 0.0000064500000000, 0.0004583700000000, 0.0002871200000000 ] - [ -0.0002814300000000, -0.0001116100000000, 0.0002460800000000 ] - [ -0.0000038400000000, -0.0003646300000000, -0.0000550100000000 ] - [ -0.0000977800000000, -0.0003278400000000, 0.0002661100000000 ] - [ 0.0004060200000000, -0.0001372900000000, 0.0000094200000000 ] - [ 0.0000791500000000, -0.0002120300000000, -0.0000893600000000 ] - [ 0.0015771800000000, 0.0002637500000000, 0.0013359300000000 ] - [ -0.0002040400000000, -0.0000241700000000, 0.0003056400000000 ] - [ -0.0001545200000000, -0.0000281100000000, -0.0003200500000000 ] - [ 0.0000499200000000, 0.0001756300000000, 0.0000454700000000 ] - [ 0.0007601400000000, -0.0002202500000000, 0.0000199800000000 ] - [ -0.0000391400000000, -0.0000874900000000, 0.0002400900000000 ] - [ 0.0001974800000000, 0.0000246800000000, -0.0000753500000000 ] - [ -0.0002796400000000, -0.0001298600000000, -0.0001992500000000 ] - [ 0.0002203000000000, -0.0001660200000000, -0.0001085300000000 ] - [ -0.0050472400000000, 0.0004750700000000, 0.0081150900000000 ] - [ -0.0004816300000000, 0.0000484800000000, -0.0003021500000000 ] - [ 0.0003951200000000, -0.0003168600000000, -0.0000054700000000 ] - [ -0.0000481700000000, -0.0000251200000000, -0.0001750300000000 ] - [ 0.0008029900000000, 0.0009277600000000, -0.0001740300000000 ] - [ -0.0002082400000000, 0.0001812800000000, -0.0000248800000000 ] - [ 0.0003079800000000, 0.0000553700000000, -0.0004569600000000 ] - [ -0.0000451200000000, 0.0002655200000000, -0.0002718100000000 ] - [ -0.0026348400000000, 0.0059473900000000, 0.0095698800000000 ] - [ 0.0001311700000000, -0.0001987900000000, 0.0000259800000000 ] - [ -0.0001660200000000, 0.0004500700000000, 0.0001806700000000 ] - [ -0.0000250200000000, 0.0001982300000000, -0.0000129900000000 ] - [ 0.0000059400000000, -0.0001908500000000, 0.0004049100000000 ] - [ -0.0001069100000000, 0.0013129100000000, 0.0002243800000000 ]- atom: 44 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0001343300000000, -0.0002032600000000, 0.0000786100000000 ] - [ -0.0000379300000000, -0.0002918100000000, 0.0001476700000000 ] - [ 0.0000253200000000, -0.0002484500000000, 0.0002236500000000 ] - [ -0.0008281500000000, 0.0005426300000000, -0.0006157200000000 ] - [ -0.0002587400000000, 0.0001719200000000, 0.0011357400000000 ] - [ 0.0000286200000000, 0.0000967400000000, -0.0003136300000000 ] - [ 0.0014940900000000, 0.0002444300000000, 0.0000527100000000 ] - [ 0.0007533500000000, 0.0004225300000000, -0.0003793200000000 ] - [ 0.0001079800000000, -0.0000195000000000, -0.0001466200000000 ] - [ 0.0000288500000000, -0.0000729300000000, 0.0001656300000000 ] - [ 0.0000246000000000, -0.0003805200000000, 0.0009893500000000 ] - [ -0.0000388300000000, 0.0001443000000000, -0.0000744600000000 ] - [ -0.0000800200000000, 0.0002404000000000, 0.0001861200000000 ] - [ -0.0006073300000000, 0.0006580700000000, -0.0010447800000000 ] - [ -0.0000199800000000, -0.0000664300000000, -0.0001431500000000 ] - [ -0.0000186700000000, 0.0000915200000000, 0.0000596800000000 ] - [ 0.0005955700000000, -0.0005155700000000, -0.0004545200000000 ] - [ -0.0001374800000000, 0.0002280200000000, 0.0001708100000000 ] - [ 0.0002574400000000, -0.0000627200000000, -0.0001617000000000 ] - [ -0.0001007800000000, -0.0042788800000000, -0.0007106600000000 ] - [ 0.0000747000000000, 0.0001446600000000, -0.0001678900000000 ] - [ -0.0003367500000000, -0.0014888400000000, -0.0002595800000000 ] - [ -0.0002909400000000, -0.0016869900000000, -0.0011761600000000 ] - [ 0.0000442200000000, -0.0001249800000000, 0.0001217800000000 ] - [ -0.0004275500000000, -0.0007368100000000, -0.0000884400000000 ] - [ -0.0011759900000000, -0.0003923900000000, 0.0001600300000000 ] - [ 0.0001112200000000, -0.0001859100000000, -0.0004744900000000 ] - [ 0.0004032400000000, 0.0007233000000000, -0.0010678700000000 ] - [ -0.0000104800000000, 0.0001777500000000, -0.0004777900000000 ] - [ 0.0094565400000000, 0.0049754700000000, -0.0796473300000000 ] - [ -0.0002966600000000, 0.0003802600000000, 0.0001662700000000 ] - [ 0.0002442900000000, -0.0000888200000000, -0.0004204000000000 ] - [ 0.0058745600000000, 0.0017966400000000, -0.0015186700000000 ] - [ -0.0002434800000000, -0.0003259600000000, -0.0003121100000000 ] - [ 0.0000120500000000, 0.0001191400000000, -0.0004371500000000 ] - [ 0.0001402800000000, -0.0004129400000000, 0.0000453500000000 ] - [ 0.0010744700000000, 0.0000290400000000, -0.0003176500000000 ] - [ -0.0004075300000000, 0.0007073000000000, -0.0000557700000000 ] - [ -0.0004938900000000, 0.0007593600000000, -0.0007994900000000 ] - [ 0.0003695200000000, 0.0003267800000000, 0.0004570500000000 ] - [ -0.0012914900000000, 0.0003035700000000, -0.0006117300000000 ] - [ -0.0001119700000000, -0.0000370400000000, -0.0002550900000000 ] - [ 0.0002458200000000, 0.0000870600000000, 0.0001369000000000 ] - [ -0.0192408500000000, 0.0067945200000000, 0.0981550700000000 ] - [ -0.0003254900000000, -0.0001806600000000, 0.0003477000000000 ] - [ -0.0000334300000000, 0.0002218800000000, 0.0003737200000000 ] - [ -0.0001521900000000, -0.0004394000000000, 0.0002029700000000 ] - [ 0.0007017800000000, -0.0000644700000000, -0.0001422400000000 ] - [ -0.0004238000000000, -0.0003684500000000, 0.0004049100000000 ] - [ 0.0000497800000000, 0.0000268200000000, -0.0001386700000000 ] - [ -0.0001116300000000, 0.0001565400000000, 0.0003354600000000 ] - [ -0.0001795200000000, -0.0005341000000000, 0.0000070000000000 ] - [ 0.0000391400000000, 0.0002734800000000, 0.0001381800000000 ] - [ -0.0000045500000000, -0.0004456600000000, 0.0002510400000000 ] - [ 0.0000298500000000, -0.0000429000000000, 0.0001344900000000 ] - [ 0.0009981400000000, 0.0005898200000000, 0.0004776300000000 ] - [ 0.0000996900000000, 0.0002536700000000, -0.0001334200000000 ] - [ 0.0004268300000000, -0.0024861600000000, 0.0052577400000000 ] - [ 0.0001442100000000, 0.0001498800000000, 0.0000376400000000 ] - [ -0.0001566900000000, -0.0000420400000000, -0.0001470500000000 ] - [ 0.0000951800000000, -0.0001114300000000, 0.0000333500000000 ] - [ -0.0003731200000000, -0.0000785000000000, -0.0001147300000000 ] - [ 0.0002393700000000, 0.0001759600000000, -0.0001083300000000 ] - [ 0.0000281400000000, 0.0004079600000000, 0.0000625100000000 ] - [ 0.0002843800000000, -0.0000952400000000, -0.0001283900000000 ] - [ 0.0003506600000000, 0.0000716700000000, -0.0000405800000000 ] - [ 0.0000793300000000, 0.0002165700000000, -0.0000616800000000 ] - [ -0.0021630800000000, 0.0019551100000000, -0.0023021900000000 ] - [ -0.0003387500000000, 0.0007856600000000, 0.0003066300000000 ] - [ -0.0000882000000000, -0.0006135200000000, 0.0002579400000000 ] - [ -0.0002227600000000, -0.0000279900000000, 0.0004496700000000 ] - [ 0.0002079600000000, 0.0000072200000000, 0.0002256100000000 ] - [ 0.0000609400000000, -0.0000081400000000, -0.0001224900000000 ] - [ -0.0002494400000000, 0.0001909600000000, -0.0002784100000000 ] - [ 0.0002467300000000, -0.0001220200000000, 0.0001745300000000 ] - [ -0.0000059200000000, 0.0004228600000000, 0.0003608300000000 ] - [ -0.0000240700000000, 0.0001526400000000, 0.0002469500000000 ] - [ -0.0001565500000000, 0.0008323100000000, 0.0007523900000000 ] - [ -0.0002489500000000, -0.0004875500000000, 0.0000701400000000 ] - [ 0.0004499900000000, -0.0001635000000000, 0.0000355800000000 ] - [ 0.0001072700000000, -0.0001783900000000, -0.0000310500000000 ] - [ -0.0013493300000000, -0.0001891000000000, -0.0014229500000000 ] - [ -0.0001105300000000, -0.0000118300000000, 0.0001879800000000 ] - [ -0.0002877400000000, -0.0002299300000000, 0.0003386200000000 ] - [ 0.0000420100000000, -0.0000997000000000, -0.0000455800000000 ] - [ -0.0008042800000000, -0.0006519400000000, 0.0005687300000000 ] - [ 0.0000552400000000, -0.0004382200000000, -0.0002156500000000 ] - [ 0.0001586100000000, -0.0000102000000000, -0.0000164800000000 ] - [ -0.0003211100000000, -0.0001898500000000, -0.0002913700000000 ] - [ 0.0002423000000000, -0.0002626800000000, -0.0001229900000000 ] - [ 0.0051647400000000, -0.0001378200000000, -0.0077630500000000 ] - [ -0.0001183000000000, 0.0002742500000000, -0.0001890200000000 ] - [ -0.0003046200000000, 0.0002439200000000, 0.0000007800000000 ] - [ -0.0001529200000000, -0.0000628200000000, -0.0001383400000000 ] - [ -0.0003577600000000, -0.0005077400000000, -0.0000486600000000 ] - [ -0.0002247500000000, 0.0000879600000000, 0.0000566400000000 ] - [ 0.0000526600000000, -0.0000672500000000, 0.0003593300000000 ] - [ 0.0009063300000000, 0.0000369400000000, 0.0003078500000000 ] - [ 0.0028318800000000, -0.0057762600000000, -0.0097185600000000 ] - [ 0.0001603100000000, -0.0001347600000000, 0.0000294200000000 ] - [ -0.0001881000000000, 0.0003641900000000, 0.0001548000000000 ] - [ 0.0000419700000000, 0.0003325000000000, 0.0000355300000000 ] - [ -0.0001685900000000, -0.0002780900000000, 0.0002971400000000 ] - [ 0.0005738700000000, -0.0012371200000000, 0.0001201900000000 ]- atom: 45 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0005453100000000, -0.0003091900000000, 0.0006347100000000 ] - [ 0.0003039300000000, -0.0000249400000000, 0.0002593700000000 ] - [ -0.0001919200000000, -0.0001534000000000, 0.0000096100000000 ] - [ -0.0004009500000000, -0.0002875300000000, -0.0002489600000000 ] - [ -0.0002330800000000, 0.0001647600000000, 0.0001279200000000 ] - [ 0.0017619800000000, -0.0008794100000000, 0.0004766700000000 ] - [ 0.0000702000000000, -0.0000413000000000, -0.0002119800000000 ] - [ 0.0007542200000000, -0.0001868900000000, 0.0000013000000000 ] - [ -0.0001178200000000, -0.0001866300000000, 0.0001208000000000 ] - [ -0.0000485200000000, -0.0001825000000000, -0.0000662700000000 ] - [ -0.0000102200000000, -0.0001617300000000, 0.0001544900000000 ] - [ 0.0000429000000000, 0.0000882300000000, -0.0000617800000000 ] - [ 0.0001227000000000, 0.0000993000000000, 0.0001201500000000 ] - [ 0.0000043300000000, 0.0000946900000000, -0.0001887600000000 ] - [ -0.0001592100000000, 0.0002289400000000, -0.0001256100000000 ] - [ -0.0001225700000000, 0.0001032400000000, 0.0001677400000000 ] - [ -0.0000680200000000, -0.0001352100000000, -0.0002630200000000 ] - [ -0.0034141600000000, 0.0014755600000000, 0.0021723800000000 ] - [ 0.0053164300000000, 0.0020979600000000, 0.0073579900000000 ] - [ 0.0001214000000000, -0.0000188900000000, 0.0001903000000000 ] - [ 0.0000292200000000, -0.0000078300000000, -0.0001382600000000 ] - [ 0.0001285500000000, 0.0001131100000000, 0.0001161500000000 ] - [ -0.0000104400000000, -0.0001905300000000, -0.0001727400000000 ] - [ -0.0000153900000000, -0.0002052800000000, 0.0000915000000000 ] - [ -0.0004474900000000, -0.0006255900000000, -0.0000810800000000 ] - [ -0.0004033100000000, -0.0003189900000000, -0.0001402700000000 ] - [ 0.0004910800000000, 0.0004541200000000, -0.0000171500000000 ] - [ 0.0600076400000000, 0.0059685600000000, -0.0388636000000000 ] - [ -0.0032088800000000, 0.0000976800000000, -0.0006879300000000 ] - [ -0.0003813800000000, 0.0004243100000000, -0.0001492700000000 ] - [ 0.0053734100000000, 0.0025190800000000, -0.0007129900000000 ] - [ 0.0005284200000000, 0.0002541900000000, 0.0000385400000000 ] - [ -0.0004460900000000, -0.0007353100000000, -0.0000984700000000 ] - [ 0.0000642900000000, -0.0001634700000000, -0.0000750400000000 ] - [ -0.0001160800000000, -0.0001214400000000, -0.0003986200000000 ] - [ 0.0003371900000000, -0.0003043400000000, 0.0004290700000000 ] - [ -0.0000648100000000, 0.0001392000000000, -0.0003780100000000 ] - [ -0.0032992100000000, 0.0010935700000000, -0.0015373600000000 ] - [ -0.0002973400000000, 0.0003474700000000, -0.0003790000000000 ] - [ 0.0003154700000000, 0.0001660200000000, 0.0000391000000000 ] - [ 0.0000985600000000, -0.0000009800000000, -0.0001209500000000 ] - [ 0.0002198000000000, -0.0005402800000000, -0.0000982600000000 ] - [ 0.0001909300000000, -0.0001775300000000, 0.0000682600000000 ] - [ -0.0000144000000000, 0.0004554600000000, 0.0004953100000000 ] - [ -0.0897853300000000, -0.0093423500000000, 0.0367789000000000 ] - [ 0.0028102800000000, -0.0016371000000000, 0.0032184800000000 ] - [ 0.0061318400000000, 0.0005590700000000, -0.0008822600000000 ] - [ 0.0004503100000000, -0.0001322100000000, 0.0000589000000000 ] - [ 0.0000808400000000, -0.0001883100000000, -0.0000989200000000 ] - [ 0.0034685600000000, 0.0007907000000000, 0.0010135100000000 ] - [ -0.0000025900000000, -0.0000806500000000, 0.0004196400000000 ] - [ -0.0005418000000000, -0.0016984400000000, -0.0003590500000000 ] - [ -0.0001253800000000, -0.0003703500000000, -0.0008683300000000 ] - [ -0.0000742700000000, -0.0004131500000000, 0.0002489800000000 ] - [ -0.0000639800000000, -0.0002539200000000, 0.0000270500000000 ] - [ 0.0002185100000000, 0.0000016100000000, -0.0000415500000000 ] - [ -0.0003128800000000, -0.0002079300000000, -0.0002384000000000 ] - [ 0.0000872200000000, -0.0003967000000000, -0.0000575600000000 ] - [ 0.0009319800000000, -0.0001541900000000, 0.0001610700000000 ] - [ 0.0116018200000000, -0.0016083300000000, -0.0044233600000000 ] - [ 0.0006498400000000, -0.0001857100000000, 0.0001164900000000 ] - [ -0.0004724600000000, 0.0000729100000000, 0.0000225800000000 ] - [ 0.0003160300000000, 0.0002152800000000, -0.0001075200000000 ] - [ -0.0001892900000000, 0.0001288900000000, 0.0000220100000000 ] - [ 0.0012415200000000, -0.0013954700000000, -0.0019854500000000 ] - [ -0.0018756100000000, 0.0004425900000000, 0.0015053500000000 ] - [ 0.0000329700000000, 0.0003724100000000, 0.0002405400000000 ] - [ 0.0001491400000000, -0.0001494800000000, 0.0000029400000000 ] - [ -0.0002055900000000, 0.0000730100000000, 0.0000400800000000 ] - [ 0.0000062000000000, 0.0032354100000000, -0.0047055200000000 ] - [ -0.0000254500000000, 0.0000691700000000, 0.0003803500000000 ] - [ 0.0010001200000000, 0.0008876100000000, -0.0000148900000000 ] - [ 0.0001995300000000, 0.0000867000000000, -0.0000109600000000 ] - [ -0.0001189700000000, 0.0000408600000000, -0.0002020500000000 ] - [ 0.0002467800000000, -0.0000080400000000, 0.0001679300000000 ] - [ 0.0005042100000000, 0.0004484100000000, 0.0003626300000000 ] - [ -0.0000870500000000, 0.0000681800000000, 0.0002220900000000 ] - [ -0.0000629100000000, 0.0001549800000000, 0.0003602700000000 ] - [ -0.0001794100000000, -0.0004328700000000, 0.0002093300000000 ] - [ 0.0003362700000000, -0.0001600200000000, -0.0001023100000000 ] - [ 0.0001989600000000, -0.0002080400000000, 0.0000117000000000 ] - [ 0.0001117800000000, 0.0001911700000000, -0.0001551400000000 ] - [ -0.0002023400000000, -0.0000002500000000, 0.0002115600000000 ] - [ -0.0002522300000000, -0.0001315200000000, 0.0000593900000000 ] - [ 0.0000549400000000, 0.0000640500000000, 0.0000054400000000 ] - [ -0.0000189900000000, -0.0004262200000000, 0.0002670600000000 ] - [ 0.0000158400000000, -0.0002359500000000, 0.0000278100000000 ] - [ 0.0001549400000000, -0.0000467000000000, -0.0000402000000000 ] - [ -0.0003009800000000, -0.0001598800000000, -0.0002776800000000 ] - [ 0.0011241800000000, -0.0000028100000000, 0.0004215400000000 ] - [ 0.0001570100000000, 0.0003269600000000, 0.0000115500000000 ] - [ -0.0003500700000000, 0.0002089500000000, -0.0002671200000000 ] - [ 0.0000061100000000, 0.0001367900000000, -0.0000085400000000 ] - [ -0.0000617800000000, -0.0000379000000000, -0.0001574200000000 ] - [ 0.0002375400000000, 0.0002126700000000, -0.0001089700000000 ] - [ -0.0003099300000000, 0.0000632800000000, 0.0000142200000000 ] - [ 0.0001277500000000, -0.0000152300000000, -0.0000252300000000 ] - [ 0.0004924500000000, 0.0001414400000000, 0.0000460600000000 ] - [ 0.0000948000000000, 0.0002842200000000, -0.0001223600000000 ] - [ 0.0001213100000000, -0.0001878700000000, 0.0002307200000000 ] - [ -0.0001952000000000, 0.0004072500000000, 0.0001651900000000 ] - [ 0.0000291700000000, 0.0004018300000000, -0.0001973900000000 ] - [ -0.0000499600000000, -0.0002222000000000, 0.0003515200000000 ] - [ 0.0002076400000000, -0.0000229000000000, 0.0001992800000000 ]- atom: 45 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ 0.0003399200000000, -0.0000302300000000, -0.0003572700000000 ] - [ -0.0003700700000000, -0.0002943200000000, -0.0003825600000000 ] - [ 0.0001557300000000, -0.0001208600000000, 0.0002413400000000 ] - [ 0.0003372500000000, 0.0006042600000000, 0.0001272900000000 ] - [ 0.0000227400000000, 0.0001818900000000, 0.0001586700000000 ] - [ -0.0017433800000000, 0.0010349700000000, -0.0008451800000000 ] - [ -0.0000800300000000, -0.0001504600000000, -0.0001862700000000 ] - [ -0.0007943600000000, 0.0004593500000000, 0.0002524800000000 ] - [ -0.0000930700000000, -0.0001600400000000, 0.0001657300000000 ] - [ -0.0000173200000000, -0.0001381300000000, -0.0000566000000000 ] - [ -0.0000261500000000, -0.0001121600000000, 0.0000967100000000 ] - [ -0.0001095000000000, 0.0002332200000000, -0.0000613400000000 ] - [ -0.0003361200000000, 0.0002464700000000, 0.0001672600000000 ] - [ -0.0000139800000000, 0.0000969000000000, -0.0002095000000000 ] - [ 0.0001510600000000, -0.0004190200000000, -0.0002735400000000 ] - [ 0.0000872000000000, 0.0001712800000000, 0.0000831500000000 ] - [ 0.0002408700000000, 0.0003854600000000, -0.0000867100000000 ] - [ 0.0034564500000000, -0.0011230900000000, -0.0018999100000000 ] - [ -0.0054387800000000, -0.0024901700000000, -0.0081527600000000 ] - [ -0.0000530800000000, -0.0003284200000000, 0.0000595400000000 ] - [ 0.0001428600000000, 0.0002521600000000, -0.0002140000000000 ] - [ -0.0000593400000000, 0.0002323600000000, 0.0001334100000000 ] - [ 0.0001824600000000, -0.0000536800000000, -0.0001782300000000 ] - [ 0.0000851000000000, -0.0001405800000000, 0.0001582700000000 ] - [ -0.0003887000000000, -0.0007559300000000, -0.0000869900000000 ] - [ -0.0001014700000000, -0.0002928100000000, -0.0001240800000000 ] - [ -0.0006391600000000, -0.0006716300000000, -0.0007818500000000 ] - [ -0.0568974700000000, -0.0059088300000000, 0.0369906200000000 ] - [ 0.0030691700000000, 0.0001184600000000, -0.0001067100000000 ] - [ -0.0004534400000000, 0.0009617000000000, -0.0000157900000000 ] - [ -0.0058186400000000, -0.0018844700000000, 0.0004103200000000 ] - [ 0.0002327300000000, 0.0001475100000000, 0.0001130100000000 ] - [ -0.0003883800000000, -0.0006479900000000, -0.0000680700000000 ] - [ -0.0005716100000000, -0.0004484400000000, -0.0001904600000000 ] - [ -0.0000274000000000, -0.0000930600000000, -0.0004043100000000 ] - [ 0.0004227100000000, -0.0000979900000000, -0.0002792700000000 ] - [ -0.0000786900000000, 0.0000756400000000, -0.0004252400000000 ] - [ 0.0024768100000000, 0.0002775800000000, 0.0013778700000000 ] - [ -0.0002080900000000, 0.0002643000000000, 0.0001154900000000 ] - [ 0.0004455700000000, 0.0002372000000000, 0.0001134800000000 ] - [ 0.0000420000000000, -0.0000488500000000, -0.0001496900000000 ] - [ -0.0004319300000000, 0.0006325200000000, -0.0002195300000000 ] - [ 0.0002804000000000, 0.0001073000000000, 0.0002775500000000 ] - [ 0.0000149800000000, 0.0004242000000000, 0.0001501300000000 ] - [ 0.0871268900000000, 0.0090933000000000, -0.0337116800000000 ] - [ -0.0029800600000000, 0.0021310400000000, -0.0025415600000000 ] - [ -0.0064976600000000, -0.0013712500000000, 0.0012734000000000 ] - [ 0.0004042200000000, -0.0001687600000000, -0.0000151700000000 ] - [ 0.0001050700000000, -0.0002044700000000, -0.0000226000000000 ] - [ -0.0033658500000000, -0.0007565900000000, -0.0012872700000000 ] - [ -0.0003146400000000, 0.0000431200000000, 0.0000745200000000 ] - [ 0.0000966700000000, 0.0014341500000000, 0.0003983600000000 ] - [ 0.0002263200000000, 0.0004477900000000, 0.0008659400000000 ] - [ 0.0000744300000000, -0.0004660700000000, 0.0003953300000000 ] - [ 0.0000793400000000, -0.0002709000000000, -0.0000001600000000 ] - [ 0.0001375500000000, 0.0000123500000000, -0.0000519400000000 ] - [ -0.0002875600000000, -0.0001126600000000, -0.0002507100000000 ] - [ 0.0003753800000000, -0.0000339700000000, -0.0001749600000000 ] - [ -0.0006346700000000, 0.0004882800000000, -0.0001039000000000 ] - [ -0.0119320400000000, 0.0019182500000000, 0.0038268500000000 ] - [ -0.0005603900000000, 0.0001136000000000, -0.0001156000000000 ] - [ 0.0002714600000000, -0.0001589300000000, -0.0003343700000000 ] - [ 0.0001462100000000, 0.0002129400000000, -0.0001216000000000 ] - [ -0.0002433900000000, 0.0001394700000000, 0.0000087000000000 ] - [ -0.0008669500000000, 0.0013616700000000, 0.0018610600000000 ] - [ 0.0027189400000000, -0.0001380400000000, -0.0014473100000000 ] - [ 0.0001674100000000, 0.0000270100000000, -0.0003422400000000 ] - [ 0.0001417500000000, -0.0001860300000000, 0.0000523300000000 ] - [ -0.0001482600000000, 0.0007424100000000, 0.0002967600000000 ] - [ 0.0000101600000000, -0.0027193000000000, 0.0047027700000000 ] - [ -0.0001373000000000, -0.0005398800000000, 0.0003197400000000 ] - [ -0.0005286500000000, -0.0008155700000000, 0.0003494400000000 ] - [ -0.0000578000000000, -0.0001336400000000, -0.0002559600000000 ] - [ -0.0000828200000000, 0.0000474900000000, -0.0001118300000000 ] - [ 0.0002243300000000, -0.0000649900000000, 0.0001800900000000 ] - [ -0.0005056100000000, 0.0004274200000000, 0.0002841300000000 ] - [ -0.0002286200000000, -0.0000316300000000, 0.0002729700000000 ] - [ -0.0000990500000000, 0.0003140700000000, 0.0003413800000000 ] - [ -0.0001743400000000, -0.0003831800000000, 0.0001272600000000 ] - [ 0.0005191600000000, -0.0001411000000000, 0.0001462900000000 ] - [ -0.0000128600000000, -0.0001843000000000, -0.0001317700000000 ] - [ 0.0000288200000000, -0.0001427200000000, -0.0001153900000000 ] - [ -0.0001128000000000, -0.0000369900000000, 0.0002835400000000 ] - [ -0.0001803400000000, -0.0001377400000000, -0.0000289900000000 ] - [ 0.0000354100000000, 0.0000115700000000, -0.0000059500000000 ] - [ 0.0000201100000000, -0.0004534600000000, 0.0003790900000000 ] - [ -0.0000001000000000, -0.0002894400000000, -0.0000009700000000 ] - [ 0.0002015900000000, 0.0000610500000000, -0.0000541900000000 ] - [ -0.0002997900000000, -0.0001606900000000, -0.0002112400000000 ] - [ -0.0006675400000000, -0.0004338800000000, -0.0006590700000000 ] - [ 0.0001337000000000, 0.0000070500000000, 0.0000436700000000 ] - [ -0.0002500000000000, 0.0001109700000000, -0.0002217200000000 ] - [ 0.0000834900000000, -0.0002139900000000, 0.0000090400000000 ] - [ -0.0001400900000000, -0.0000502300000000, -0.0001566200000000 ] - [ 0.0002252800000000, 0.0002154400000000, -0.0001224300000000 ] - [ -0.0001217700000000, 0.0002057200000000, 0.0000175000000000 ] - [ 0.0002289600000000, 0.0000011500000000, -0.0000683400000000 ] - [ 0.0003625300000000, 0.0001590700000000, -0.0000026000000000 ] - [ 0.0000914400000000, 0.0001075700000000, 0.0000015400000000 ] - [ 0.0001691500000000, -0.0001465500000000, -0.0001768900000000 ] - [ -0.0001582400000000, 0.0004087500000000, 0.0001718800000000 ] - [ -0.0000139400000000, 0.0001225900000000, 0.0002260800000000 ] - [ -0.0001123300000000, -0.0002473000000000, 0.0003504200000000 ] - [ 0.0002638100000000, 0.0000954000000000, 0.0001484800000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001654000000000, 0.0001651100000000, -0.0000405100000000 ] - [ 0.0001898200000000, 0.0002910000000000, 0.0002160800000000 ] - [ -0.0000482300000000, 0.0000891300000000, 0.0001578700000000 ] - [ -0.0003465000000000, 0.0000861400000000, -0.0002894900000000 ] - [ -0.0001930700000000, 0.0000620700000000, 0.0001469300000000 ] - [ -0.0013954800000000, 0.0019453600000000, -0.0011350400000000 ] - [ 0.0000400600000000, -0.0001954900000000, -0.0001841300000000 ] - [ -0.0000999600000000, 0.0043523700000000, -0.0011259800000000 ] - [ -0.0001385000000000, -0.0002681500000000, 0.0001438300000000 ] - [ -0.0000621700000000, -0.0002658800000000, -0.0000559400000000 ] - [ 0.0000114500000000, -0.0002497800000000, 0.0001533400000000 ] - [ 0.0000063500000000, 0.0000173400000000, -0.0000521800000000 ] - [ -0.0001403300000000, -0.0000607800000000, 0.0000312300000000 ] - [ 0.0000255700000000, 0.0000136400000000, -0.0001802900000000 ] - [ 0.0000702200000000, -0.0003481500000000, -0.0003561900000000 ] - [ -0.0000748800000000, 0.0000134300000000, 0.0001606300000000 ] - [ 0.0000070000000000, -0.0001314100000000, -0.0001331100000000 ] - [ -0.0000162400000000, 0.0012682400000000, 0.0011733300000000 ] - [ 0.0020823900000000, 0.0028879500000000, 0.0037330600000000 ] - [ 0.0001134500000000, -0.0000674300000000, 0.0002498500000000 ] - [ 0.0000421600000000, -0.0000991700000000, -0.0001329900000000 ] - [ 0.0000856000000000, -0.0002007800000000, 0.0001237800000000 ] - [ 0.0000134000000000, -0.0004582400000000, -0.0001831500000000 ] - [ 0.0000821600000000, -0.0003270900000000, 0.0001742000000000 ] - [ -0.0003809000000000, -0.0003876000000000, -0.0001535300000000 ] - [ -0.0003599300000000, -0.0004107400000000, -0.0002742800000000 ] - [ 0.0005118000000000, 0.0003789800000000, 0.0002838100000000 ] - [ 0.0055248200000000, 0.0146762000000000, -0.0041746300000000 ] - [ 0.0010543700000000, -0.0006742300000000, -0.0015297100000000 ] - [ -0.0004682800000000, 0.0000654400000000, -0.0001885800000000 ] - [ -0.0027020100000000, -0.0007480800000000, 0.0011431400000000 ] - [ 0.0003794200000000, 0.0003220200000000, 0.0003343900000000 ] - [ -0.0004019800000000, -0.0008259800000000, -0.0000568200000000 ] - [ -0.0001970900000000, -0.0003164400000000, 0.0000634400000000 ] - [ -0.0000848800000000, -0.0002387700000000, -0.0003509800000000 ] - [ 0.0003803000000000, -0.0003942600000000, 0.0003974000000000 ] - [ -0.0000681000000000, -0.0001625900000000, -0.0004921000000000 ] - [ -0.0013242100000000, 0.0009819200000000, -0.0015445300000000 ] - [ -0.0002850100000000, 0.0001975800000000, -0.0001711100000000 ] - [ 0.0003600500000000, 0.0000284500000000, -0.0000799900000000 ] - [ 0.0000564100000000, 0.0001254900000000, -0.0001441300000000 ] - [ -0.0002000500000000, -0.0000017100000000, -0.0000350800000000 ] - [ 0.0002100400000000, -0.0004173700000000, -0.0000005400000000 ] - [ 0.0000054500000000, 0.0004381800000000, 0.0005359600000000 ] - [ -0.0092849900000000, -0.0274442300000000, 0.0044611400000000 ] - [ -0.0014412800000000, 0.0013252700000000, -0.0007866100000000 ] - [ 0.0007378300000000, -0.0002088700000000, 0.0001520700000000 ] - [ 0.0004805400000000, -0.0001028900000000, 0.0000092000000000 ] - [ 0.0000959700000000, -0.0000954800000000, -0.0000122600000000 ] - [ 0.0020644200000000, 0.0008713500000000, 0.0007811100000000 ] - [ -0.0000956500000000, 0.0000138400000000, 0.0002045200000000 ] - [ -0.0013198500000000, 0.0005887900000000, 0.0013818600000000 ] - [ -0.0000553200000000, 0.0001068300000000, 0.0003042100000000 ] - [ -0.0000563000000000, -0.0004247300000000, 0.0004876400000000 ] - [ 0.0000148300000000, -0.0003223500000000, -0.0000636900000000 ] - [ 0.0002055900000000, 0.0000107800000000, -0.0000413100000000 ] - [ -0.0002846800000000, -0.0002128200000000, -0.0003668700000000 ] - [ 0.0003755200000000, -0.0000398700000000, -0.0002101200000000 ] - [ 0.0006223700000000, 0.0001936200000000, 0.0002411800000000 ] - [ 0.0014748400000000, -0.0020922000000000, -0.0003886900000000 ] - [ -0.0001009500000000, -0.0001699900000000, 0.0001718800000000 ] - [ -0.0005176000000000, -0.0000994400000000, -0.0002851100000000 ] - [ 0.0002351000000000, 0.0001359600000000, -0.0000655100000000 ] - [ -0.0001955200000000, 0.0002137100000000, 0.0000691700000000 ] - [ -0.0012911800000000, 0.0005085100000000, 0.0009892300000000 ] - [ -0.0000074200000000, 0.0002060800000000, 0.0018839900000000 ] - [ 0.0001161700000000, 0.0001653100000000, -0.0000211200000000 ] - [ 0.0001533100000000, -0.0000502300000000, 0.0000182400000000 ] - [ -0.0002505000000000, 0.0002875100000000, 0.0001173300000000 ] - [ 0.0050802000000000, 0.0025884100000000, -0.0072301800000000 ] - [ 0.0000486400000000, -0.0000594500000000, 0.0003839700000000 ] - [ -0.0004953800000000, -0.0000545800000000, 0.0004782400000000 ] - [ 0.0001180500000000, 0.0000023400000000, -0.0000853900000000 ] - [ -0.0001217400000000, 0.0000544000000000, -0.0000868200000000 ] - [ 0.0001991300000000, 0.0000673600000000, 0.0001656200000000 ] - [ 0.0000503900000000, 0.0003658500000000, 0.0002012100000000 ] - [ -0.0001082800000000, 0.0001298500000000, 0.0002227700000000 ] - [ -0.0001031200000000, 0.0003895200000000, 0.0003554100000000 ] - [ -0.0001373100000000, -0.0003222800000000, 0.0001808800000000 ] - [ 0.0004223300000000, -0.0001243400000000, -0.0000308200000000 ] - [ 0.0001277300000000, -0.0002363300000000, -0.0000668600000000 ] - [ 0.0001275300000000, 0.0003147600000000, -0.0001138300000000 ] - [ -0.0001767600000000, 0.0000611000000000, 0.0002428000000000 ] - [ -0.0002559100000000, 0.0000469300000000, -0.0000509300000000 ] - [ 0.0000495100000000, 0.0001392700000000, 0.0000098500000000 ] - [ -0.0000303800000000, -0.0005220900000000, 0.0003198000000000 ] - [ 0.0000114800000000, -0.0001190400000000, 0.0000924900000000 ] - [ 0.0001542500000000, 0.0000711000000000, -0.0001266200000000 ] - [ -0.0003047200000000, -0.0000988400000000, -0.0002510800000000 ] - [ 0.0006163900000000, 0.0000491500000000, 0.0003698100000000 ] - [ 0.0001552100000000, 0.0004816300000000, -0.0000018000000000 ] - [ -0.0003489100000000, 0.0002738200000000, -0.0002660400000000 ] - [ -0.0000078100000000, 0.0000970700000000, 0.0000141000000000 ] - [ -0.0000783000000000, -0.0000577600000000, -0.0001792800000000 ] - [ 0.0002458300000000, 0.0002959800000000, -0.0000794900000000 ] - [ -0.0002090000000000, 0.0001628500000000, -0.0000876800000000 ] - [ 0.0001647600000000, 0.0000781700000000, -0.0000458000000000 ] - [ 0.0004490500000000, 0.0002256500000000, 0.0000271400000000 ] - [ 0.0000969500000000, 0.0003622800000000, -0.0001085400000000 ] - [ 0.0001025700000000, -0.0002343800000000, 0.0000400900000000 ] - [ -0.0001885500000000, 0.0004357700000000, 0.0001702000000000 ] - [ 0.0000200300000000, 0.0005240400000000, -0.0002052300000000 ] - [ -0.0000382400000000, -0.0001317000000000, 0.0003534200000000 ] - [ 0.0002592400000000, 0.0002230700000000, 0.0001998700000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003732900000000, -0.0005024500000000, 0.0003266200000000 ] - [ -0.0002537600000000, -0.0006123200000000, -0.0003407200000000 ] - [ 0.0000099700000000, -0.0003642500000000, 0.0000919200000000 ] - [ 0.0002797200000000, 0.0002365600000000, 0.0001680000000000 ] - [ -0.0000179100000000, 0.0002844900000000, 0.0001387100000000 ] - [ 0.0014226100000000, -0.0017761800000000, 0.0007756200000000 ] - [ -0.0000497800000000, 0.0000042500000000, -0.0002143500000000 ] - [ 0.0000331600000000, -0.0038778600000000, 0.0013460600000000 ] - [ -0.0000722100000000, -0.0000781200000000, 0.0001428300000000 ] - [ -0.0000039000000000, -0.0000554900000000, -0.0000672200000000 ] - [ -0.0000476100000000, -0.0000244600000000, 0.0000974500000000 ] - [ -0.0000722900000000, 0.0003042700000000, -0.0000708900000000 ] - [ -0.0000700800000000, 0.0004058600000000, 0.0002549500000000 ] - [ -0.0000352100000000, 0.0001781000000000, -0.0002177500000000 ] - [ -0.0000804700000000, 0.0001559300000000, -0.0000406200000000 ] - [ 0.0000386000000000, 0.0002613300000000, 0.0000905100000000 ] - [ 0.0001623600000000, 0.0003750600000000, -0.0002181500000000 ] - [ 0.0001003500000000, -0.0009229700000000, -0.0009070100000000 ] - [ -0.0019255400000000, -0.0030817000000000, -0.0040440900000000 ] - [ -0.0000408100000000, -0.0002761200000000, 0.0000003400000000 ] - [ 0.0001295700000000, 0.0003442600000000, -0.0002180000000000 ] - [ -0.0000154100000000, 0.0005457100000000, 0.0001258100000000 ] - [ 0.0001578100000000, 0.0002138100000000, -0.0001679000000000 ] - [ -0.0000125600000000, -0.0000189000000000, 0.0000754900000000 ] - [ -0.0004545600000000, -0.0009979000000000, -0.0000140200000000 ] - [ -0.0001466300000000, -0.0002022000000000, 0.0000100100000000 ] - [ -0.0006503000000000, -0.0006110400000000, -0.0010798600000000 ] - [ -0.0049696800000000, -0.0151481700000000, 0.0045668600000000 ] - [ -0.0012032600000000, 0.0008879800000000, 0.0007289400000000 ] - [ -0.0003663000000000, 0.0013237400000000, 0.0000204400000000 ] - [ 0.0021948700000000, 0.0013429700000000, -0.0014089700000000 ] - [ 0.0003795600000000, 0.0000831300000000, -0.0001833900000000 ] - [ -0.0004318100000000, -0.0005616600000000, -0.0001106800000000 ] - [ -0.0003084200000000, -0.0002962800000000, -0.0003253700000000 ] - [ -0.0000585100000000, 0.0000269900000000, -0.0004509500000000 ] - [ 0.0003793600000000, -0.0000104500000000, -0.0002459300000000 ] - [ -0.0000762900000000, 0.0003748600000000, -0.0003090200000000 ] - [ 0.0004692800000000, 0.0003966600000000, 0.0013814700000000 ] - [ -0.0002210700000000, 0.0004163900000000, -0.0000936300000000 ] - [ 0.0004002700000000, 0.0003762700000000, 0.0002304700000000 ] - [ 0.0000835900000000, -0.0001755800000000, -0.0001285400000000 ] - [ 0.0000060400000000, 0.0000759300000000, -0.0002803600000000 ] - [ 0.0002623400000000, 0.0003446300000000, 0.0003443000000000 ] - [ -0.0000047800000000, 0.0004455600000000, 0.0001110600000000 ] - [ 0.0091665500000000, 0.0273654200000000, -0.0041517700000000 ] - [ 0.0012777100000000, -0.0008641900000000, 0.0014830000000000 ] - [ -0.0011152600000000, -0.0006034600000000, 0.0001590300000000 ] - [ 0.0003750300000000, -0.0001993200000000, 0.0000366600000000 ] - [ 0.0000903600000000, -0.0002917900000000, -0.0001064000000000 ] - [ -0.0019206100000000, -0.0008285700000000, -0.0010561400000000 ] - [ -0.0002187200000000, -0.0000501000000000, 0.0002885900000000 ] - [ 0.0009159300000000, -0.0008782900000000, -0.0013771800000000 ] - [ 0.0001479100000000, -0.0000257000000000, -0.0002796900000000 ] - [ 0.0000566100000000, -0.0004586000000000, 0.0001590700000000 ] - [ 0.0000011900000000, -0.0002006700000000, 0.0000913300000000 ] - [ 0.0001518700000000, 0.0000020300000000, -0.0000488000000000 ] - [ -0.0003138900000000, -0.0001077400000000, -0.0001248900000000 ] - [ 0.0000875400000000, -0.0003937100000000, -0.0000205100000000 ] - [ -0.0003316300000000, 0.0001401300000000, -0.0001886300000000 ] - [ -0.0020931300000000, 0.0024051500000000, -0.0001108700000000 ] - [ 0.0001941200000000, 0.0000937700000000, -0.0001739600000000 ] - [ 0.0003134800000000, 0.0000076800000000, -0.0000324600000000 ] - [ 0.0002278700000000, 0.0002949000000000, -0.0001642300000000 ] - [ -0.0002372800000000, 0.0000523500000000, -0.0000386600000000 ] - [ 0.0016371300000000, -0.0005158600000000, -0.0010786800000000 ] - [ 0.0008574400000000, 0.0001082500000000, -0.0018430800000000 ] - [ 0.0000724600000000, 0.0002240700000000, -0.0000992100000000 ] - [ 0.0001393700000000, -0.0002873900000000, 0.0000377900000000 ] - [ -0.0001058900000000, 0.0005299500000000, 0.0002172900000000 ] - [ -0.0050322100000000, -0.0020511700000000, 0.0071923000000000 ] - [ -0.0002102600000000, -0.0003998500000000, 0.0003200700000000 ] - [ 0.0009644900000000, 0.0001274500000000, -0.0001325500000000 ] - [ 0.0000218100000000, -0.0000527900000000, -0.0001852200000000 ] - [ -0.0000801300000000, 0.0000304300000000, -0.0002293200000000 ] - [ 0.0002729300000000, -0.0001375500000000, 0.0001834400000000 ] - [ -0.0000473300000000, 0.0005175700000000, 0.0004474000000000 ] - [ -0.0002075400000000, -0.0000937800000000, 0.0002696100000000 ] - [ -0.0000606000000000, 0.0000774500000000, 0.0003471200000000 ] - [ -0.0002166900000000, -0.0004901000000000, 0.0001541500000000 ] - [ 0.0004324200000000, -0.0001779400000000, 0.0000761400000000 ] - [ 0.0000587600000000, -0.0001524500000000, -0.0000521100000000 ] - [ 0.0000114300000000, -0.0002636900000000, -0.0001581000000000 ] - [ -0.0001391300000000, -0.0000970600000000, 0.0002495400000000 ] - [ -0.0001770900000000, -0.0003138800000000, 0.0000816000000000 ] - [ 0.0000409900000000, -0.0000645900000000, -0.0000108900000000 ] - [ 0.0000304800000000, -0.0003619800000000, 0.0003284100000000 ] - [ 0.0000045100000000, -0.0004037100000000, -0.0000648300000000 ] - [ 0.0002031000000000, -0.0000582100000000, 0.0000354100000000 ] - [ -0.0002948600000000, -0.0002206100000000, -0.0002402700000000 ] - [ -0.0001517100000000, -0.0004834400000000, -0.0006024200000000 ] - [ 0.0001383900000000, -0.0001441600000000, 0.0000576400000000 ] - [ -0.0002504800000000, 0.0000456500000000, -0.0002252200000000 ] - [ 0.0001000300000000, -0.0001700700000000, -0.0000162800000000 ] - [ -0.0001234500000000, -0.0000269900000000, -0.0001365700000000 ] - [ 0.0002170800000000, 0.0001352600000000, -0.0001504300000000 ] - [ -0.0002233400000000, 0.0001034100000000, 0.0001174600000000 ] - [ 0.0001924700000000, -0.0000907800000000, -0.0000449200000000 ] - [ 0.0004057400000000, 0.0000769600000000, 0.0000187800000000 ] - [ 0.0000895000000000, 0.0000265000000000, -0.0000104700000000 ] - [ 0.0001898600000000, -0.0001035600000000, 0.0000161800000000 ] - [ -0.0001655000000000, 0.0003765900000000, 0.0001648000000000 ] - [ -0.0000044000000000, -0.0000004500000000, 0.0002329500000000 ] - [ -0.0001254200000000, -0.0003345900000000, 0.0003493000000000 ] - [ 0.0002129800000000, -0.0001527800000000, 0.0001492700000000 ]- atom: 45 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ 0.0002347400000000, -0.0001019300000000, -0.0003891800000000 ] - [ -0.0001697600000000, 0.0000011300000000, -0.0005991500000000 ] - [ -0.0000133800000000, -0.0001110900000000, -0.0000004900000000 ] - [ 0.0001540500000000, 0.0001054300000000, 0.0002639200000000 ] - [ -0.0000347500000000, 0.0001927800000000, 0.0000955400000000 ] - [ -0.0000951200000000, 0.0000460900000000, -0.0001495000000000 ] - [ -0.0000556300000000, -0.0001053400000000, -0.0002315000000000 ] - [ -0.0002312300000000, -0.0011502500000000, 0.0008534900000000 ] - [ -0.0001039100000000, -0.0001846600000000, 0.0001693500000000 ] - [ -0.0000310700000000, -0.0001491900000000, -0.0000694800000000 ] - [ -0.0000162800000000, -0.0001283500000000, 0.0000950800000000 ] - [ -0.0000899700000000, 0.0002156500000000, -0.0000603300000000 ] - [ -0.0003286000000000, -0.0000276000000000, 0.0002123000000000 ] - [ -0.0000046300000000, 0.0000807600000000, -0.0001875100000000 ] - [ 0.0001370000000000, -0.0004224300000000, -0.0002106600000000 ] - [ 0.0000581800000000, 0.0001826400000000, 0.0001019100000000 ] - [ 0.0000532600000000, -0.0002840000000000, -0.0002678500000000 ] - [ 0.0016250300000000, 0.0007393800000000, 0.0030023200000000 ] - [ 0.0093481000000000, 0.0039596800000000, 0.0177906100000000 ] - [ 0.0000836500000000, -0.0004549000000000, 0.0000178600000000 ] - [ 0.0001357600000000, 0.0000146300000000, -0.0002855700000000 ] - [ -0.0000097600000000, 0.0002175900000000, 0.0001269200000000 ] - [ 0.0001437100000000, -0.0000840500000000, -0.0001752400000000 ] - [ 0.0000152100000000, -0.0000821300000000, 0.0000877200000000 ] - [ -0.0007133100000000, -0.0005895300000000, -0.0001971900000000 ] - [ -0.0002013900000000, -0.0003224500000000, -0.0001948400000000 ] - [ -0.0002067900000000, 0.0002627600000000, -0.0011424100000000 ] - [ -0.0577412600000000, -0.0069183300000000, 0.0576680300000000 ] - [ -0.0005777600000000, 0.0005448000000000, 0.0013527000000000 ] - [ -0.0003785200000000, 0.0009816300000000, -0.0001134000000000 ] - [ -0.0047088400000000, -0.0026925200000000, 0.0034533200000000 ] - [ 0.0002693200000000, 0.0001259400000000, 0.0000532500000000 ] - [ -0.0003733700000000, -0.0006750500000000, -0.0001233900000000 ] - [ -0.0003077900000000, -0.0003223700000000, -0.0001804600000000 ] - [ -0.0000591700000000, -0.0001035700000000, -0.0004384500000000 ] - [ 0.0003982200000000, -0.0001224900000000, -0.0001566500000000 ] - [ -0.0000907200000000, 0.0000670800000000, -0.0004002100000000 ] - [ 0.0007400000000000, 0.0003132300000000, 0.0006436800000000 ] - [ -0.0002464100000000, 0.0003008300000000, -0.0000373100000000 ] - [ 0.0004499300000000, 0.0002085300000000, 0.0000535100000000 ] - [ 0.0000778000000000, -0.0000219100000000, -0.0001350400000000 ] - [ 0.0001862800000000, -0.0007715700000000, -0.0005777600000000 ] - [ 0.0001218300000000, 0.0000960500000000, 0.0003873700000000 ] - [ 0.0000135800000000, 0.0004317700000000, 0.0001691300000000 ] - [ 0.0610606300000000, 0.0069139200000000, -0.0856566300000000 ] - [ 0.0010266100000000, -0.0008459800000000, 0.0005684400000000 ] - [ -0.0037237900000000, -0.0007272900000000, -0.0008081100000000 ] - [ 0.0004623100000000, -0.0001248500000000, 0.0000408100000000 ] - [ 0.0000984700000000, -0.0001777400000000, -0.0000564500000000 ] - [ -0.0009946100000000, 0.0009112400000000, -0.0008730700000000 ] - [ -0.0000445100000000, 0.0000419400000000, 0.0003538900000000 ] - [ -0.0002878600000000, 0.0018016700000000, -0.0007225300000000 ] - [ -0.0004448300000000, 0.0002077800000000, 0.0010200500000000 ] - [ 0.0001371600000000, -0.0004304500000000, 0.0002997500000000 ] - [ 0.0000493300000000, -0.0002262300000000, 0.0000437700000000 ] - [ 0.0001574500000000, 0.0000329900000000, -0.0000219900000000 ] - [ -0.0003051100000000, -0.0001159500000000, -0.0001380600000000 ] - [ 0.0002202400000000, -0.0000830200000000, -0.0001162400000000 ] - [ 0.0000805100000000, -0.0000169900000000, -0.0002043600000000 ] - [ -0.0005812100000000, 0.0006259400000000, -0.0032829400000000 ] - [ 0.0000198600000000, -0.0000104000000000, -0.0004452300000000 ] - [ 0.0001890200000000, -0.0002604600000000, -0.0003209600000000 ] - [ 0.0002872300000000, 0.0002168900000000, 0.0000729600000000 ] - [ -0.0002224300000000, 0.0001628400000000, 0.0000390400000000 ] - [ -0.0018369700000000, 0.0013628500000000, 0.0012868400000000 ] - [ -0.0001190800000000, 0.0015587800000000, 0.0020131500000000 ] - [ 0.0000839600000000, 0.0003813200000000, -0.0003178000000000 ] - [ 0.0001170600000000, -0.0001707300000000, 0.0000638000000000 ] - [ -0.0002089100000000, 0.0007697000000000, 0.0004149900000000 ] - [ -0.0036745100000000, -0.0040654000000000, 0.0044841100000000 ] - [ -0.0000090800000000, 0.0001154900000000, 0.0009000600000000 ] - [ 0.0005728900000000, 0.0000677600000000, -0.0006815400000000 ] - [ 0.0001791700000000, 0.0000589200000000, 0.0000599000000000 ] - [ -0.0000859400000000, 0.0000500600000000, -0.0001148000000000 ] - [ 0.0002328800000000, -0.0000593700000000, 0.0001958900000000 ] - [ -0.0001003000000000, 0.0002163200000000, 0.0003322600000000 ] - [ -0.0002041500000000, -0.0000206300000000, 0.0002608700000000 ] - [ -0.0000988400000000, 0.0003217400000000, 0.0003363800000000 ] - [ -0.0001751000000000, -0.0003871400000000, 0.0001304100000000 ] - [ 0.0004109000000000, -0.0001419200000000, 0.0001092600000000 ] - [ 0.0001072500000000, -0.0001538600000000, 0.0000195600000000 ] - [ 0.0000368200000000, -0.0001068000000000, -0.0001145500000000 ] - [ -0.0001766300000000, -0.0000208900000000, 0.0002827600000000 ] - [ -0.0001961500000000, -0.0001887100000000, 0.0000487700000000 ] - [ 0.0000421100000000, 0.0000176600000000, 0.0000103700000000 ] - [ -0.0000220600000000, -0.0004544900000000, 0.0003907200000000 ] - [ -0.0000106400000000, -0.0002855500000000, 0.0000264200000000 ] - [ 0.0001370100000000, -0.0000803500000000, 0.0000260400000000 ] - [ -0.0003198400000000, -0.0001682100000000, -0.0002070000000000 ] - [ -0.0001809700000000, -0.0004695500000000, -0.0005013300000000 ] - [ 0.0001564300000000, -0.0000193200000000, 0.0000459300000000 ] - [ -0.0002632800000000, 0.0001137200000000, -0.0002352400000000 ] - [ 0.0000669300000000, -0.0001692200000000, -0.0000294100000000 ] - [ -0.0000920300000000, -0.0000295000000000, -0.0001586800000000 ] - [ 0.0002285300000000, 0.0002386300000000, -0.0000842500000000 ] - [ -0.0002107200000000, 0.0001259900000000, 0.0000706200000000 ] - [ 0.0002166000000000, -0.0000094800000000, -0.0000506900000000 ] - [ 0.0003847800000000, 0.0001537500000000, 0.0000140800000000 ] - [ 0.0000913500000000, 0.0001277400000000, -0.0000087200000000 ] - [ 0.0002738700000000, -0.0002239500000000, 0.0000670700000000 ] - [ -0.0001564300000000, 0.0004063600000000, 0.0001669800000000 ] - [ -0.0000147800000000, 0.0001342400000000, 0.0001676400000000 ] - [ -0.0000951400000000, -0.0002589400000000, 0.0003644400000000 ] - [ 0.0002723300000000, 0.0001045100000000, 0.0001481600000000 ]- atom: 45 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0004388900000000, -0.0002435200000000, 0.0006688500000000 ] - [ 0.0001060300000000, -0.0003227200000000, 0.0004774500000000 ] - [ -0.0000236000000000, -0.0001630500000000, 0.0002494400000000 ] - [ -0.0002224700000000, 0.0002148000000000, -0.0003872100000000 ] - [ -0.0001775100000000, 0.0001537900000000, 0.0001899400000000 ] - [ 0.0000869600000000, 0.0001458000000000, -0.0002514900000000 ] - [ 0.0000468200000000, -0.0000854000000000, -0.0001674700000000 ] - [ 0.0001967400000000, 0.0014104900000000, -0.0005845500000000 ] - [ -0.0001070400000000, -0.0001619700000000, 0.0001170800000000 ] - [ -0.0000349000000000, -0.0001716400000000, -0.0000535400000000 ] - [ -0.0000198800000000, -0.0001456200000000, 0.0001561200000000 ] - [ 0.0000246200000000, 0.0001050000000000, -0.0000621100000000 ] - [ 0.0001194300000000, 0.0003742400000000, 0.0000728300000000 ] - [ -0.0000048400000000, 0.0001108500000000, -0.0002103300000000 ] - [ -0.0001473900000000, 0.0002346300000000, -0.0001881100000000 ] - [ -0.0000950500000000, 0.0000915700000000, 0.0001500600000000 ] - [ 0.0001151800000000, 0.0005233400000000, -0.0000834100000000 ] - [ -0.0015719500000000, -0.0003954800000000, -0.0027534600000000 ] - [ -0.0094938200000000, -0.0043220900000000, -0.0183306700000000 ] - [ -0.0000117900000000, 0.0001035300000000, 0.0002321900000000 ] - [ 0.0000353100000000, 0.0002320400000000, -0.0000651000000000 ] - [ 0.0000800800000000, 0.0001270200000000, 0.0001227300000000 ] - [ 0.0000270500000000, -0.0001606200000000, -0.0001756100000000 ] - [ 0.0000536600000000, -0.0002639800000000, 0.0001610300000000 ] - [ -0.0001201100000000, -0.0007952400000000, 0.0000311900000000 ] - [ -0.0003053300000000, -0.0002897800000000, -0.0000701200000000 ] - [ 0.0000639900000000, -0.0004511800000000, 0.0003310200000000 ] - [ 0.0612991600000000, 0.0070031300000000, -0.0593003600000000 ] - [ 0.0004034100000000, -0.0003258700000000, -0.0021430500000000 ] - [ -0.0004582200000000, 0.0004020800000000, -0.0000496600000000 ] - [ 0.0043313300000000, 0.0033152800000000, -0.0038072600000000 ] - [ 0.0004928600000000, 0.0002788000000000, 0.0000998800000000 ] - [ -0.0004605900000000, -0.0007090200000000, -0.0000437500000000 ] - [ -0.0001951200000000, -0.0002865200000000, -0.0000854900000000 ] - [ -0.0000846500000000, -0.0001107300000000, -0.0003643100000000 ] - [ 0.0003615800000000, -0.0002813500000000, 0.0003121100000000 ] - [ -0.0000527900000000, 0.0001477500000000, -0.0004027100000000 ] - [ -0.0015936500000000, 0.0010695800000000, -0.0008317800000000 ] - [ -0.0002596000000000, 0.0003120500000000, -0.0002305900000000 ] - [ 0.0003099700000000, 0.0001950100000000, 0.0000989100000000 ] - [ 0.0000635200000000, -0.0000269100000000, -0.0001352900000000 ] - [ -0.0003829100000000, 0.0008488100000000, 0.0002659900000000 ] - [ 0.0003454200000000, -0.0001635700000000, -0.0000352800000000 ] - [ -0.0000128600000000, 0.0004480300000000, 0.0004774000000000 ] - [ -0.0641642100000000, -0.0072860400000000, 0.0883662400000000 ] - [ -0.0011688600000000, 0.0013089300000000, 0.0001446400000000 ] - [ 0.0033801500000000, -0.0000740300000000, 0.0011154400000000 ] - [ 0.0003935000000000, -0.0001759400000000, 0.0000031300000000 ] - [ 0.0000874200000000, -0.0002144600000000, -0.0000653100000000 ] - [ 0.0011638800000000, -0.0008314900000000, 0.0006250100000000 ] - [ -0.0002683700000000, -0.0000793800000000, 0.0001435700000000 ] - [ -0.0001499400000000, -0.0020854300000000, 0.0007617100000000 ] - [ 0.0005235500000000, -0.0001360900000000, -0.0010209100000000 ] - [ -0.0001369300000000, -0.0004502600000000, 0.0003464300000000 ] - [ -0.0000340900000000, -0.0002995900000000, -0.0000165100000000 ] - [ 0.0001989800000000, -0.0000188600000000, -0.0000715100000000 ] - [ -0.0002973400000000, -0.0002046600000000, -0.0003493300000000 ] - [ 0.0002461300000000, -0.0003485800000000, -0.0001197000000000 ] - [ 0.0002128700000000, 0.0003484000000000, 0.0002622800000000 ] - [ -0.0000056100000000, -0.0003131600000000, 0.0027867600000000 ] - [ 0.0000770700000000, -0.0000670300000000, 0.0004453400000000 ] - [ -0.0003959900000000, 0.0001643100000000, 0.0000104000000000 ] - [ 0.0001756400000000, 0.0002133000000000, -0.0003039800000000 ] - [ -0.0002100100000000, 0.0001055100000000, -0.0000081800000000 ] - [ 0.0022306300000000, -0.0014125500000000, -0.0014272000000000 ] - [ 0.0009844500000000, -0.0012772400000000, -0.0020043800000000 ] - [ 0.0001069600000000, 0.0000142300000000, 0.0002016300000000 ] - [ 0.0001736000000000, -0.0001648300000000, -0.0000083400000000 ] - [ -0.0001435700000000, 0.0000500100000000, -0.0000781600000000 ] - [ 0.0037941800000000, 0.0046610200000000, -0.0045349500000000 ] - [ -0.0001489400000000, -0.0005781700000000, -0.0001961800000000 ] - [ -0.0000965900000000, 0.0000111100000000, 0.0010221200000000 ] - [ -0.0000384700000000, -0.0001080600000000, -0.0003298500000000 ] - [ -0.0001157400000000, 0.0000379700000000, -0.0001995400000000 ] - [ 0.0002387400000000, -0.0000130900000000, 0.0001521200000000 ] - [ 0.0001043100000000, 0.0006618400000000, 0.0003144000000000 ] - [ -0.0001105200000000, 0.0000576500000000, 0.0002337600000000 ] - [ -0.0000630900000000, 0.0001463100000000, 0.0003653200000000 ] - [ -0.0001785500000000, -0.0004288100000000, 0.0002064300000000 ] - [ 0.0004439100000000, -0.0001602700000000, -0.0000669600000000 ] - [ 0.0000792300000000, -0.0002381900000000, -0.0001404300000000 ] - [ 0.0001042100000000, 0.0001563300000000, -0.0001560600000000 ] - [ -0.0001387500000000, -0.0000164100000000, 0.0002118700000000 ] - [ -0.0002368400000000, -0.0000814400000000, -0.0000168400000000 ] - [ 0.0000485700000000, 0.0000577300000000, -0.0000110100000000 ] - [ 0.0000225100000000, -0.0004258200000000, 0.0002555100000000 ] - [ 0.0000265800000000, -0.0002399600000000, 0.0000007300000000 ] - [ 0.0002198800000000, 0.0000931200000000, -0.0001187200000000 ] - [ -0.0002808500000000, -0.0001524300000000, -0.0002822100000000 ] - [ 0.0006485900000000, 0.0000372500000000, 0.0002732500000000 ] - [ 0.0001345900000000, 0.0003562700000000, 0.0000091300000000 ] - [ -0.0003376500000000, 0.0002069300000000, -0.0002540300000000 ] - [ 0.0000230300000000, 0.0000950800000000, 0.0000298900000000 ] - [ -0.0001096500000000, -0.0000585100000000, -0.0001552800000000 ] - [ 0.0002343700000000, 0.0001902900000000, -0.0001463800000000 ] - [ -0.0002222200000000, 0.0001415900000000, -0.0000374200000000 ] - [ 0.0001393800000000, -0.0000048200000000, -0.0000424200000000 ] - [ 0.0004711400000000, 0.0001467300000000, 0.0000299100000000 ] - [ 0.0000948300000000, 0.0002642700000000, -0.0001120800000000 ] - [ 0.0000166600000000, -0.0001103900000000, -0.0000104500000000 ] - [ -0.0001973600000000, 0.0004093600000000, 0.0001701100000000 ] - [ 0.0000304300000000, 0.0003921800000000, -0.0001416400000000 ] - [ -0.0000668200000000, -0.0002101000000000, 0.0003373800000000 ] - [ 0.0001988700000000, -0.0000329700000000, 0.0001999100000000 ]- atom: 46 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0000792600000000, -0.0002120700000000, 0.0002366300000000 ] - [ -0.0008891200000000, -0.0003458800000000, 0.0002884800000000 ] - [ 0.0008200300000000, -0.0001525500000000, 0.0001569900000000 ] - [ -0.0001477400000000, 0.0004240000000000, 0.0004165800000000 ] - [ -0.0002107500000000, 0.0003880000000000, 0.0000139800000000 ] - [ -0.0001467600000000, 0.0002386000000000, -0.0003873000000000 ] - [ 0.0000805900000000, -0.0002266800000000, -0.0002178900000000 ] - [ 0.0004895900000000, 0.0006707900000000, 0.0015499200000000 ] - [ -0.0001043800000000, -0.0001506100000000, 0.0001525600000000 ] - [ -0.0000307700000000, -0.0001307800000000, -0.0000891800000000 ] - [ -0.0000215900000000, -0.0001059200000000, 0.0001093100000000 ] - [ -0.0000026700000000, 0.0001786000000000, -0.0000324800000000 ] - [ 0.0000859500000000, 0.0004173500000000, 0.0000581400000000 ] - [ -0.0000082200000000, 0.0001208900000000, -0.0001752900000000 ] - [ -0.0001334600000000, -0.0000347700000000, -0.0001894300000000 ] - [ -0.0000504100000000, 0.0001629600000000, 0.0001605000000000 ] - [ 0.0001033700000000, 0.0000581200000000, -0.0001943200000000 ] - [ -0.0006147300000000, -0.0022400800000000, 0.0002898700000000 ] - [ 0.0030559200000000, 0.0077777400000000, -0.0045269400000000 ] - [ -0.0001789900000000, -0.0001689300000000, 0.0003102100000000 ] - [ 0.0000221400000000, 0.0003807800000000, -0.0001403300000000 ] - [ 0.0000826300000000, 0.0002726200000000, 0.0001210200000000 ] - [ 0.0000596400000000, -0.0000320800000000, -0.0001756300000000 ] - [ 0.0000572600000000, -0.0001243800000000, 0.0000835300000000 ] - [ -0.0001691400000000, -0.0005501400000000, -0.0001796100000000 ] - [ -0.0004010600000000, -0.0003156700000000, -0.0000459900000000 ] - [ 0.0001389400000000, -0.0006562000000000, -0.0007294000000000 ] - [ -0.0013572900000000, -0.0037496200000000, 0.0025227500000000 ] - [ 0.0736258400000000, -0.0214376900000000, -0.0302121300000000 ] - [ -0.0003355400000000, 0.0007694600000000, -0.0000847700000000 ] - [ -0.0028163500000000, -0.0001167600000000, -0.0020145500000000 ] - [ 0.0007782900000000, 0.0002278800000000, 0.0003413000000000 ] - [ -0.0004495600000000, -0.0006135800000000, -0.0000884100000000 ] - [ -0.0002193200000000, -0.0002900700000000, -0.0001674800000000 ] - [ -0.0000816400000000, -0.0000574600000000, -0.0004059400000000 ] - [ 0.0003595300000000, -0.0001745300000000, 0.0001085600000000 ] - [ -0.0000724300000000, 0.0002030300000000, -0.0003620900000000 ] - [ -0.0004627700000000, 0.0008658500000000, 0.0003952200000000 ] - [ -0.0003081600000000, 0.0004096300000000, -0.0003157600000000 ] - [ 0.0003094800000000, 0.0002612100000000, 0.0001090200000000 ] - [ 0.0000662200000000, -0.0000416700000000, -0.0001369400000000 ] - [ 0.0025073600000000, 0.0001371300000000, -0.0052407000000000 ] - [ 0.0002232800000000, 0.0000411300000000, 0.0003869000000000 ] - [ 0.0000059300000000, 0.0004283100000000, 0.0002727700000000 ] - [ 0.0027410100000000, -0.0013432000000000, 0.0024233500000000 ] - [ -0.0942189000000000, 0.0235998400000000, 0.0388520100000000 ] - [ -0.0005381200000000, -0.0015744600000000, -0.0002578300000000 ] - [ 0.0004403400000000, -0.0001416600000000, -0.0000268200000000 ] - [ 0.0000737100000000, -0.0001460200000000, -0.0000234000000000 ] - [ -0.0002381800000000, 0.0003711900000000, -0.0001714400000000 ] - [ -0.0001021200000000, -0.0001481600000000, 0.0003427600000000 ] - [ 0.0002195400000000, -0.0002187300000000, 0.0005928600000000 ] - [ 0.0000217500000000, 0.0002603400000000, 0.0001609200000000 ] - [ -0.0000834300000000, -0.0004540900000000, 0.0004440300000000 ] - [ -0.0001289600000000, -0.0004211500000000, -0.0003703900000000 ] - [ 0.0001908100000000, 0.0000667400000000, -0.0002529100000000 ] - [ -0.0001431900000000, -0.0000100600000000, -0.0005207200000000 ] - [ 0.0002066800000000, -0.0001781000000000, -0.0001771800000000 ] - [ 0.0000565100000000, 0.0001317000000000, 0.0000260100000000 ] - [ 0.0004346500000000, 0.0010837200000000, -0.0008491000000000 ] - [ 0.0005273800000000, -0.0023665100000000, -0.0011251000000000 ] - [ -0.0004737000000000, -0.0000168200000000, -0.0004282500000000 ] - [ 0.0001670100000000, -0.0000999200000000, -0.0003269100000000 ] - [ -0.0001975200000000, 0.0001071800000000, -0.0000691800000000 ] - [ 0.0011637400000000, 0.0003303100000000, 0.0002685300000000 ] - [ 0.0046808900000000, -0.0028028400000000, 0.0001343700000000 ] - [ -0.0006422700000000, 0.0016447400000000, 0.0007112200000000 ] - [ 0.0002068700000000, -0.0001789200000000, 0.0000230400000000 ] - [ -0.0000797500000000, 0.0005522100000000, 0.0003287400000000 ] - [ 0.0021028000000000, 0.0011930600000000, -0.0018483400000000 ] - [ -0.0001017300000000, -0.0001232400000000, 0.0005008400000000 ] - [ 0.0089265600000000, -0.0006705900000000, -0.0015513100000000 ] - [ -0.0000599600000000, -0.0001730200000000, -0.0002649900000000 ] - [ -0.0000917400000000, 0.0000405100000000, -0.0001787000000000 ] - [ 0.0002440100000000, -0.0000818700000000, 0.0001830800000000 ] - [ 0.0004279100000000, 0.0007661600000000, 0.0005460500000000 ] - [ -0.0001402300000000, -0.0000026800000000, 0.0002339600000000 ] - [ -0.0000752700000000, 0.0001830500000000, 0.0003490600000000 ] - [ -0.0001963000000000, -0.0004247800000000, 0.0001676700000000 ] - [ 0.0004761000000000, -0.0001664700000000, -0.0000258000000000 ] - [ 0.0000642300000000, -0.0002616300000000, -0.0001477200000000 ] - [ 0.0000776300000000, -0.0000313700000000, -0.0001367600000000 ] - [ -0.0001265400000000, -0.0000614900000000, 0.0002421600000000 ] - [ -0.0002278900000000, -0.0002154600000000, 0.0001926800000000 ] - [ 0.0000493500000000, -0.0000095500000000, -0.0000180100000000 ] - [ -0.0000166700000000, -0.0004811300000000, 0.0004100600000000 ] - [ 0.0000221000000000, -0.0002976300000000, 0.0000029200000000 ] - [ 0.0001939800000000, -0.0000132100000000, -0.0000023000000000 ] - [ -0.0002726400000000, -0.0001905600000000, -0.0002340900000000 ] - [ 0.0002331100000000, -0.0002539000000000, -0.0004719200000000 ] - [ 0.0002119300000000, 0.0000676400000000, 0.0000297800000000 ] - [ -0.0003075300000000, 0.0001178600000000, -0.0002659100000000 ] - [ 0.0000562200000000, -0.0000901600000000, 0.0000050700000000 ] - [ -0.0001327500000000, -0.0000593200000000, -0.0001426500000000 ] - [ 0.0002455100000000, 0.0002336700000000, -0.0001067800000000 ] - [ -0.0002360300000000, 0.0000960000000000, 0.0000218300000000 ] - [ 0.0001589400000000, -0.0000578600000000, -0.0000145800000000 ] - [ 0.0004446700000000, 0.0001062200000000, 0.0000367200000000 ] - [ 0.0000923700000000, 0.0001647700000000, -0.0000498100000000 ] - [ 0.0001060300000000, -0.0001616600000000, 0.0000352700000000 ] - [ -0.0001750000000000, 0.0003920300000000, 0.0001827300000000 ] - [ 0.0000151400000000, 0.0002053800000000, 0.0001178400000000 ] - [ -0.0000798400000000, -0.0002706500000000, 0.0003523500000000 ] - [ 0.0002269000000000, -0.0000214600000000, 0.0001693300000000 ]- atom: 46 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0001308500000000, -0.0001342400000000, 0.0000515000000000 ] - [ 0.0008150400000000, 0.0000277400000000, -0.0004089100000000 ] - [ -0.0008700600000000, -0.0001198400000000, 0.0000801600000000 ] - [ 0.0000972200000000, -0.0000988000000000, -0.0005389200000000 ] - [ 0.0000061800000000, -0.0000456200000000, 0.0002759400000000 ] - [ 0.0001361900000000, -0.0000485600000000, -0.0000084800000000 ] - [ -0.0000930200000000, 0.0000323800000000, -0.0001786100000000 ] - [ -0.0005342600000000, -0.0003755100000000, -0.0012691200000000 ] - [ -0.0001067200000000, -0.0001968500000000, 0.0001345300000000 ] - [ -0.0000353900000000, -0.0001918400000000, -0.0000335400000000 ] - [ -0.0000145300000000, -0.0001693700000000, 0.0001418000000000 ] - [ -0.0000628400000000, 0.0001413300000000, -0.0000906300000000 ] - [ -0.0002951400000000, -0.0000716700000000, 0.0002282500000000 ] - [ -0.0000013900000000, 0.0000693500000000, -0.0002233500000000 ] - [ 0.0001213800000000, -0.0001578700000000, -0.0002095700000000 ] - [ 0.0000136400000000, 0.0001096800000000, 0.0000904600000000 ] - [ 0.0000663700000000, 0.0001878400000000, -0.0001562900000000 ] - [ 0.0006869500000000, 0.0026329800000000, -0.0000562900000000 ] - [ -0.0028298100000000, -0.0080270900000000, 0.0041797200000000 ] - [ 0.0002456000000000, -0.0001804700000000, -0.0000588800000000 ] - [ 0.0001500700000000, -0.0001375300000000, -0.0002102900000000 ] - [ -0.0000144700000000, 0.0000703000000000, 0.0001279100000000 ] - [ 0.0001131800000000, -0.0002140300000000, -0.0001764800000000 ] - [ 0.0000118100000000, -0.0002249900000000, 0.0001660600000000 ] - [ -0.0006646900000000, -0.0008373600000000, 0.0000129900000000 ] - [ -0.0001002500000000, -0.0003000600000000, -0.0002196000000000 ] - [ -0.0002930700000000, 0.0004571900000000, -0.0000692000000000 ] - [ 0.0021110300000000, 0.0032653700000000, -0.0023256800000000 ] - [ -0.0768183000000000, 0.0230948700000000, 0.0310010000000000 ] - [ -0.0004994900000000, 0.0006237500000000, -0.0000809700000000 ] - [ 0.0023043600000000, 0.0007124500000000, 0.0017314600000000 ] - [ -0.0000145700000000, 0.0001769500000000, -0.0001872500000000 ] - [ -0.0003859200000000, -0.0007753200000000, -0.0000786600000000 ] - [ -0.0002859600000000, -0.0003239900000000, -0.0000951500000000 ] - [ -0.0000618800000000, -0.0001558300000000, -0.0003952400000000 ] - [ 0.0004001000000000, -0.0002325100000000, 0.0000390300000000 ] - [ -0.0000711000000000, 0.0000074300000000, -0.0004403700000000 ] - [ -0.0003699900000000, 0.0005230400000000, -0.0005548300000000 ] - [ -0.0001953200000000, 0.0002006800000000, 0.0000643700000000 ] - [ 0.0004496700000000, 0.0001421000000000, 0.0000401400000000 ] - [ 0.0000723300000000, -0.0000087400000000, -0.0001351800000000 ] - [ -0.0027333300000000, -0.0000368600000000, 0.0050133000000000 ] - [ 0.0002524700000000, -0.0001145300000000, -0.0000420500000000 ] - [ -0.0000054600000000, 0.0004555300000000, 0.0003709100000000 ] - [ -0.0030546500000000, 0.0013831400000000, -0.0019166700000000 ] - [ 0.0974291000000000, -0.0246987100000000, -0.0398782700000000 ] - [ 0.0002101400000000, 0.0007831000000000, 0.0005739100000000 ] - [ 0.0004127500000000, -0.0001612300000000, 0.0000732700000000 ] - [ 0.0001132300000000, -0.0002420000000000, -0.0000957400000000 ] - [ 0.0003784400000000, -0.0003211200000000, -0.0001049900000000 ] - [ -0.0002141600000000, 0.0001108500000000, 0.0001521800000000 ] - [ -0.0006496600000000, -0.0000430700000000, -0.0005536900000000 ] - [ 0.0000707100000000, -0.0001890700000000, -0.0001641800000000 ] - [ 0.0000834000000000, -0.0004296300000000, 0.0002056100000000 ] - [ 0.0001449900000000, -0.0001016400000000, 0.0003973400000000 ] - [ 0.0001649000000000, -0.0000543700000000, 0.0001597300000000 ] - [ -0.0004542100000000, -0.0003072800000000, 0.0000244600000000 ] - [ 0.0002525900000000, -0.0002488900000000, -0.0000537500000000 ] - [ 0.0002355000000000, 0.0002106900000000, 0.0000264500000000 ] - [ -0.0010567000000000, -0.0007422800000000, 0.0003501600000000 ] - [ -0.0004905800000000, 0.0023669100000000, 0.0011789400000000 ] - [ 0.0002840000000000, -0.0000683700000000, 0.0001190700000000 ] - [ 0.0002945800000000, 0.0005320800000000, 0.0000946200000000 ] - [ -0.0002361800000000, 0.0001603600000000, 0.0001009700000000 ] - [ -0.0008095500000000, -0.0003423100000000, -0.0003588900000000 ] - [ -0.0037999000000000, 0.0030772100000000, -0.0000885200000000 ] - [ 0.0008425100000000, -0.0012394200000000, -0.0008343900000000 ] - [ 0.0000876200000000, -0.0001574800000000, 0.0000338900000000 ] - [ -0.0002748000000000, 0.0002576700000000, 0.0000042900000000 ] - [ -0.0021231100000000, -0.0006496400000000, 0.0018270200000000 ] - [ -0.0000595600000000, -0.0003448900000000, 0.0002007500000000 ] - [ -0.0087604000000000, 0.0007294700000000, 0.0019195700000000 ] - [ 0.0001984600000000, 0.0001233400000000, -0.0000065900000000 ] - [ -0.0001104800000000, 0.0000440300000000, -0.0001364200000000 ] - [ 0.0002276400000000, 0.0000134000000000, 0.0001656300000000 ] - [ -0.0004097500000000, 0.0001157200000000, 0.0000969500000000 ] - [ -0.0001771200000000, 0.0000398500000000, 0.0002591400000000 ] - [ -0.0000890800000000, 0.0002846300000000, 0.0003534100000000 ] - [ -0.0001577400000000, -0.0003872600000000, 0.0001668700000000 ] - [ 0.0003785800000000, -0.0001359500000000, 0.0000721500000000 ] - [ 0.0001216200000000, -0.0001269600000000, 0.0000274700000000 ] - [ 0.0000606000000000, 0.0000806700000000, -0.0001345700000000 ] - [ -0.0001894600000000, 0.0000256500000000, 0.0002501900000000 ] - [ -0.0002062300000000, -0.0000443800000000, -0.0001709400000000 ] - [ 0.0000411200000000, 0.0000855200000000, 0.0000171900000000 ] - [ 0.0000172900000000, -0.0004029600000000, 0.0002377800000000 ] - [ -0.0000058200000000, -0.0002235200000000, 0.0000254500000000 ] - [ 0.0001637900000000, 0.0000259700000000, -0.0000884400000000 ] - [ -0.0003261100000000, -0.0001284700000000, -0.0002567000000000 ] - [ 0.0002270500000000, -0.0001753800000000, 0.0002391400000000 ] - [ 0.0000811600000000, 0.0002677400000000, 0.0000265500000000 ] - [ -0.0002905900000000, 0.0002023300000000, -0.0002247800000000 ] - [ 0.0000341700000000, 0.0000152800000000, -0.0000062000000000 ] - [ -0.0000694400000000, -0.0000255600000000, -0.0001731000000000 ] - [ 0.0002180200000000, 0.0001977200000000, -0.0001229700000000 ] - [ -0.0001966600000000, 0.0001704900000000, 0.0000083000000000 ] - [ 0.0002003000000000, 0.0000480700000000, -0.0000768100000000 ] - [ 0.0004083500000000, 0.0001983700000000, 0.0000087700000000 ] - [ 0.0000940500000000, 0.0002221800000000, -0.0000677100000000 ] - [ 0.0001865300000000, -0.0001757100000000, 0.0000207500000000 ] - [ -0.0001798300000000, 0.0004206000000000, 0.0001521100000000 ] - [ 0.0000006100000000, 0.0003238400000000, -0.0000918200000000 ] - [ -0.0000836900000000, -0.0001939500000000, 0.0003502200000000 ] - [ 0.0002458400000000, 0.0000931500000000, 0.0001798700000000 ]- atom: 46 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000362300000000, -0.0002382700000000, 0.0002656800000000 ] - [ -0.0000108800000000, -0.0000478400000000, -0.0002161200000000 ] - [ -0.0000563900000000, 0.0005162200000000, -0.0000787400000000 ] - [ 0.0003472700000000, 0.0007877600000000, -0.0000214700000000 ] - [ 0.0004847400000000, -0.0001579200000000, 0.0007130800000000 ] - [ 0.0000402500000000, -0.0000753900000000, -0.0000129400000000 ] - [ -0.0002354000000000, -0.0006022400000000, 0.0001484200000000 ] - [ 0.0003701000000000, 0.0018410300000000, 0.0021177800000000 ] - [ -0.0001231500000000, -0.0002745400000000, 0.0001222000000000 ] - [ -0.0000532000000000, -0.0003265300000000, 0.0000212800000000 ] - [ 0.0000102200000000, -0.0002767100000000, 0.0001793200000000 ] - [ 0.0000307000000000, -0.0000557800000000, -0.0000919300000000 ] - [ 0.0000732800000000, -0.0000053200000000, 0.0001658700000000 ] - [ 0.0000142900000000, -0.0000241500000000, -0.0003139800000000 ] - [ -0.0002608200000000, -0.0002828600000000, -0.0002424600000000 ] - [ -0.0000786000000000, -0.0000841600000000, 0.0000832800000000 ] - [ 0.0006004200000000, 0.0004268900000000, 0.0000390000000000 ] - [ -0.0007760300000000, 0.0010866100000000, 0.0003718900000000 ] - [ 0.0020909000000000, 0.0211979900000000, -0.0114046300000000 ] - [ -0.0002642500000000, 0.0001036700000000, -0.0000404700000000 ] - [ 0.0001868500000000, -0.0002499200000000, -0.0001548200000000 ] - [ -0.0001318100000000, -0.0002101700000000, 0.0000824500000000 ] - [ 0.0002108300000000, -0.0004767800000000, -0.0002327700000000 ] - [ -0.0000148600000000, -0.0006284700000000, 0.0001055700000000 ] - [ -0.0002050700000000, -0.0007011800000000, -0.0000693900000000 ] - [ 0.0000602600000000, -0.0003778100000000, -0.0003782200000000 ] - [ -0.0001457300000000, 0.0004146100000000, -0.0006919700000000 ] - [ 0.0011438300000000, -0.0003611800000000, -0.0006062400000000 ] - [ -0.0163325500000000, 0.0214913400000000, 0.0062533200000000 ] - [ -0.0004289600000000, 0.0005853500000000, -0.0000652300000000 ] - [ -0.0000238100000000, -0.0003351100000000, 0.0002861600000000 ] - [ -0.0002387400000000, 0.0004392800000000, 0.0005053600000000 ] - [ -0.0003913500000000, -0.0008184700000000, 0.0000209700000000 ] - [ -0.0002078300000000, -0.0004366500000000, -0.0000724300000000 ] - [ -0.0000652100000000, -0.0003401400000000, -0.0003314000000000 ] - [ 0.0004212500000000, -0.0005712500000000, -0.0001079400000000 ] - [ -0.0000718200000000, -0.0001416800000000, -0.0005121100000000 ] - [ -0.0003010200000000, 0.0007951300000000, 0.0011037700000000 ] - [ 0.0000564400000000, -0.0003121700000000, 0.0011301700000000 ] - [ 0.0002484800000000, 0.0000249000000000, -0.0001473900000000 ] - [ -0.0000943100000000, 0.0000240800000000, -0.0001303900000000 ] - [ -0.0014754100000000, 0.0012397000000000, 0.0006032100000000 ] - [ 0.0003686100000000, -0.0003894000000000, 0.0002415700000000 ] - [ -0.0000100700000000, 0.0004632100000000, 0.0003317200000000 ] - [ -0.0020226000000000, 0.0011109300000000, -0.0015322900000000 ] - [ 0.0242244200000000, -0.0545375300000000, -0.0003313600000000 ] - [ 0.0018017000000000, -0.0002930200000000, -0.0027312500000000 ] - [ 0.0004785500000000, -0.0001556800000000, -0.0000310600000000 ] - [ 0.0001619800000000, -0.0001659400000000, 0.0000451100000000 ] - [ -0.0000008200000000, -0.0002378200000000, -0.0005552700000000 ] - [ -0.0004618800000000, 0.0001533000000000, -0.0002258500000000 ] - [ -0.0001714700000000, -0.0000194200000000, 0.0000603700000000 ] - [ 0.0000915000000000, -0.0003977300000000, -0.0001539200000000 ] - [ -0.0000556800000000, -0.0004342600000000, 0.0005193300000000 ] - [ 0.0001000900000000, -0.0005551000000000, -0.0001136800000000 ] - [ 0.0001322800000000, -0.0001158900000000, 0.0000182700000000 ] - [ -0.0001696800000000, -0.0002779000000000, -0.0001195000000000 ] - [ 0.0002670800000000, 0.0001400600000000, -0.0001429800000000 ] - [ 0.0001814500000000, 0.0004413900000000, -0.0003182600000000 ] - [ -0.0011341400000000, 0.0002162100000000, -0.0001139500000000 ] - [ -0.0092178800000000, 0.0054930900000000, 0.0051842400000000 ] - [ -0.0001149600000000, 0.0000627800000000, -0.0000915300000000 ] - [ 0.0001976300000000, 0.0004431800000000, -0.0001748500000000 ] - [ -0.0002667700000000, 0.0002216200000000, 0.0001279000000000 ] - [ -0.0001633200000000, -0.0000053500000000, -0.0002350700000000 ] - [ -0.0008795000000000, 0.0012834600000000, 0.0009694200000000 ] - [ 0.0001335900000000, 0.0040054300000000, 0.0007071700000000 ] - [ 0.0001792900000000, -0.0000626000000000, 0.0000645100000000 ] - [ -0.0002178700000000, 0.0003549100000000, 0.0001401100000000 ] - [ -0.0013984500000000, 0.0003545100000000, -0.0003209600000000 ] - [ -0.0001913400000000, -0.0006227700000000, 0.0003833100000000 ] - [ 0.0013959000000000, -0.0045353600000000, 0.0002351100000000 ] - [ 0.0000491200000000, 0.0001228800000000, -0.0001373700000000 ] - [ -0.0001272800000000, 0.0000620500000000, -0.0001038100000000 ] - [ 0.0001996500000000, 0.0001704600000000, 0.0001461300000000 ] - [ 0.0021010700000000, 0.0009823500000000, 0.0004195300000000 ] - [ -0.0002366300000000, 0.0001739900000000, 0.0003133500000000 ] - [ -0.0001310600000000, 0.0004246500000000, 0.0003575000000000 ] - [ -0.0001119800000000, -0.0003754400000000, 0.0001730300000000 ] - [ 0.0004195000000000, -0.0000714400000000, 0.0000892700000000 ] - [ 0.0000869800000000, -0.0001901600000000, -0.0001098100000000 ] - [ 0.0000537100000000, 0.0001210900000000, -0.0001005900000000 ] - [ -0.0001697500000000, 0.0000837300000000, 0.0002693900000000 ] - [ -0.0003110100000000, 0.0008233800000000, -0.0009678500000000 ] - [ 0.0000441200000000, 0.0002349000000000, 0.0000358700000000 ] - [ -0.0000084300000000, -0.0005117900000000, 0.0002730800000000 ] - [ 0.0000390900000000, -0.0000423900000000, 0.0001566800000000 ] - [ 0.0001963300000000, 0.0001072100000000, -0.0000456900000000 ] - [ -0.0002032000000000, -0.0000705400000000, -0.0001932000000000 ] - [ -0.0000512000000000, -0.0001330600000000, -0.0006294900000000 ] - [ 0.0000154900000000, 0.0002355700000000, 0.0000393300000000 ] - [ -0.0002528900000000, 0.0003384400000000, -0.0001849000000000 ] - [ 0.0000450700000000, 0.0001591100000000, -0.0000232400000000 ] - [ -0.0000909000000000, -0.0000970400000000, -0.0001754300000000 ] - [ 0.0002442500000000, 0.0002508900000000, -0.0001355600000000 ] - [ -0.0002210100000000, 0.0002677100000000, 0.0000172100000000 ] - [ 0.0003275900000000, 0.0002745000000000, -0.0001675400000000 ] - [ 0.0003042900000000, 0.0003816400000000, -0.0000420100000000 ] - [ 0.0001056500000000, 0.0002234100000000, -0.0000401400000000 ] - [ 0.0000554900000000, -0.0000241300000000, -0.0000185900000000 ] - [ -0.0002375400000000, 0.0004974000000000, 0.0001464500000000 ] - [ 0.0000194000000000, 0.0008955400000000, -0.0001368000000000 ] - [ -0.0000419500000000, -0.0000468700000000, 0.0003429700000000 ] - [ 0.0002837800000000, 0.0002318000000000, 0.0002001100000000 ]- atom: 46 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001745100000000, -0.0001075900000000, 0.0000205800000000 ] - [ -0.0000623700000000, -0.0002731000000000, 0.0001060800000000 ] - [ 0.0000191600000000, -0.0007958500000000, 0.0003260400000000 ] - [ -0.0004154200000000, -0.0004648200000000, -0.0001016800000000 ] - [ -0.0006949400000000, 0.0005049900000000, -0.0004255600000000 ] - [ -0.0000503600000000, 0.0002676300000000, -0.0003846500000000 ] - [ 0.0002258100000000, 0.0004115000000000, -0.0005462500000000 ] - [ -0.0003873300000000, -0.0015601600000000, -0.0018216200000000 ] - [ -0.0000872400000000, -0.0000714200000000, 0.0001640400000000 ] - [ -0.0000129400000000, 0.0000059500000000, -0.0001438100000000 ] - [ -0.0000464100000000, 0.0000026400000000, 0.0000724700000000 ] - [ -0.0000975700000000, 0.0003774000000000, -0.0000307400000000 ] - [ -0.0002870100000000, 0.0003491800000000, 0.0001207900000000 ] - [ -0.0000241200000000, 0.0002162600000000, -0.0000843400000000 ] - [ 0.0002547600000000, 0.0000912500000000, -0.0001560500000000 ] - [ 0.0000432000000000, 0.0003593000000000, 0.0001684100000000 ] - [ -0.0004276300000000, -0.0001801500000000, -0.0003902700000000 ] - [ 0.0008532600000000, -0.0007593400000000, -0.0001236000000000 ] - [ -0.0019050400000000, -0.0225118800000000, 0.0116484600000000 ] - [ 0.0003363900000000, -0.0004487100000000, 0.0002874200000000 ] - [ -0.0000154800000000, 0.0004937200000000, -0.0001963300000000 ] - [ 0.0002012100000000, 0.0005556200000000, 0.0001668300000000 ] - [ -0.0000389700000000, 0.0002322400000000, -0.0001180300000000 ] - [ 0.0000842000000000, 0.0002841600000000, 0.0001443000000000 ] - [ -0.0006341900000000, -0.0006767400000000, -0.0000966700000000 ] - [ -0.0005669600000000, -0.0002316200000000, 0.0001124000000000 ] - [ 0.0000042900000000, -0.0006347800000000, -0.0001125100000000 ] - [ -0.0003954700000000, -0.0000257000000000, 0.0007611200000000 ] - [ 0.0158731200000000, -0.0213172100000000, -0.0068614800000000 ] - [ -0.0004050500000000, 0.0007952000000000, -0.0001007400000000 ] - [ -0.0004629000000000, 0.0009499200000000, -0.0005439200000000 ] - [ 0.0009964600000000, -0.0000366500000000, -0.0003548600000000 ] - [ -0.0004415200000000, -0.0005608800000000, -0.0001869300000000 ] - [ -0.0002970800000000, -0.0001729300000000, -0.0001935100000000 ] - [ -0.0000784000000000, 0.0001229500000000, -0.0004721900000000 ] - [ 0.0003384600000000, 0.0001712000000000, 0.0002612600000000 ] - [ -0.0000719600000000, 0.0003594600000000, -0.0002911600000000 ] - [ -0.0005430600000000, 0.0005815100000000, -0.0012953200000000 ] - [ -0.0005610900000000, 0.0009260200000000, -0.0013982100000000 ] - [ 0.0005142300000000, 0.0003768000000000, 0.0003021200000000 ] - [ 0.0002375200000000, -0.0000709000000000, -0.0001387800000000 ] - [ 0.0012871900000000, -0.0011519400000000, -0.0009275600000000 ] - [ 0.0001011400000000, 0.0003165200000000, 0.0001065400000000 ] - [ 0.0000104300000000, 0.0004155200000000, 0.0003139600000000 ] - [ 0.0017330400000000, -0.0010779700000000, 0.0020558300000000 ] - [ -0.0240527800000000, 0.0560191500000000, 0.0001540100000000 ] - [ -0.0021867700000000, -0.0005339300000000, 0.0031051700000000 ] - [ 0.0003785500000000, -0.0001441300000000, 0.0000732000000000 ] - [ 0.0000235900000000, -0.0002297000000000, -0.0001675900000000 ] - [ 0.0001596700000000, 0.0003161300000000, 0.0002818500000000 ] - [ 0.0001432200000000, -0.0001881500000000, 0.0007200200000000 ] - [ -0.0002648400000000, -0.0002534000000000, -0.0000342600000000 ] - [ -0.0000009900000000, 0.0004741000000000, 0.0001542700000000 ] - [ 0.0000578800000000, -0.0004435800000000, 0.0001244700000000 ] - [ -0.0000847400000000, 0.0000255900000000, 0.0001403400000000 ] - [ 0.0002236600000000, 0.0001302600000000, -0.0001154100000000 ] - [ -0.0004312600000000, -0.0000430900000000, -0.0003631000000000 ] - [ 0.0001964900000000, -0.0005714000000000, -0.0000880900000000 ] - [ 0.0001081000000000, -0.0001081400000000, 0.0003776700000000 ] - [ 0.0005390500000000, 0.0001012900000000, -0.0003767100000000 ] - [ 0.0091995600000000, -0.0054255100000000, -0.0051169900000000 ] - [ -0.0000894800000000, -0.0001524900000000, -0.0002224100000000 ] - [ 0.0002655700000000, -0.0000144500000000, -0.0000562800000000 ] - [ -0.0001660600000000, 0.0000499200000000, -0.0000960200000000 ] - [ 0.0005197400000000, -0.0000095700000000, 0.0001389600000000 ] - [ 0.0017468200000000, -0.0009854500000000, -0.0009598500000000 ] - [ 0.0000394100000000, -0.0036686200000000, -0.0008499300000000 ] - [ 0.0001084000000000, -0.0002706400000000, -0.0000097200000000 ] - [ -0.0001358800000000, 0.0004649100000000, 0.0001986600000000 ] - [ 0.0014436500000000, 0.0001923600000000, 0.0003584600000000 ] - [ 0.0000306400000000, 0.0001522600000000, 0.0003185000000000 ] - [ -0.0008768500000000, 0.0046260700000000, 0.0001039800000000 ] - [ 0.0000969200000000, -0.0001671100000000, -0.0001280800000000 ] - [ -0.0000742200000000, 0.0000285800000000, -0.0002089500000000 ] - [ 0.0002704300000000, -0.0002445700000000, 0.0002012000000000 ] - [ -0.0021390600000000, -0.0001392300000000, 0.0002134200000000 ] - [ -0.0000783500000000, -0.0001374000000000, 0.0001838900000000 ] - [ -0.0000292000000000, 0.0000467200000000, 0.0003436800000000 ] - [ -0.0002412600000000, -0.0004433900000000, 0.0001648400000000 ] - [ 0.0004354700000000, -0.0002285800000000, -0.0000470100000000 ] - [ 0.0000992500000000, -0.0002050800000000, -0.0000118200000000 ] - [ 0.0000894100000000, -0.0000741000000000, -0.0001684600000000 ] - [ -0.0001454500000000, -0.0001201000000000, 0.0002273700000000 ] - [ -0.0001244200000000, -0.0011068700000000, 0.0010015600000000 ] - [ 0.0000464100000000, -0.0001603200000000, -0.0000362300000000 ] - [ 0.0000089700000000, -0.0003662100000000, 0.0003718800000000 ] - [ -0.0000242600000000, -0.0004867400000000, -0.0001305100000000 ] - [ 0.0001589300000000, -0.0000921400000000, -0.0000505900000000 ] - [ -0.0003996000000000, -0.0002499100000000, -0.0002947200000000 ] - [ 0.0005185400000000, -0.0002997100000000, 0.0004071900000000 ] - [ 0.0002725500000000, 0.0000971600000000, 0.0000152100000000 ] - [ -0.0003481500000000, -0.0000177300000000, -0.0003022900000000 ] - [ 0.0000451300000000, -0.0002335200000000, 0.0000230200000000 ] - [ -0.0001101300000000, 0.0000072000000000, -0.0001371200000000 ] - [ 0.0002182700000000, 0.0001779400000000, -0.0000961100000000 ] - [ -0.0002116100000000, 0.0000046200000000, 0.0000144300000000 ] - [ 0.0000286000000000, -0.0002893800000000, 0.0000709800000000 ] - [ 0.0005515600000000, -0.0000820000000000, 0.0000843800000000 ] - [ 0.0000799900000000, 0.0001718700000000, -0.0000824300000000 ] - [ 0.0002340200000000, -0.0003091200000000, 0.0000748400000000 ] - [ -0.0001154900000000, 0.0003211000000000, 0.0001912600000000 ] - [ -0.0000045100000000, -0.0003656600000000, 0.0001642500000000 ] - [ -0.0001184200000000, -0.0004248000000000, 0.0003584100000000 ] - [ 0.0001864700000000, -0.0001578800000000, 0.0001474700000000 ]- atom: 46 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0001706100000000, 0.0000055100000000, -0.0000625000000000 ] - [ 0.0000750000000000, 0.0000571200000000, 0.0001389900000000 ] - [ -0.0008260900000000, -0.0002205700000000, -0.0007888000000000 ] - [ 0.0003658900000000, -0.0001061800000000, 0.0001829000000000 ] - [ -0.0000784800000000, 0.0001026200000000, 0.0001474600000000 ] - [ -0.0000635700000000, 0.0002223100000000, -0.0002593700000000 ] - [ -0.0000534900000000, 0.0001217200000000, -0.0002458200000000 ] - [ 0.0011942800000000, 0.0020587100000000, 0.0041571000000000 ] - [ -0.0001139100000000, -0.0001954900000000, 0.0001501500000000 ] - [ -0.0000404600000000, -0.0001810200000000, -0.0000631800000000 ] - [ -0.0000109000000000, -0.0001577300000000, 0.0001270600000000 ] - [ -0.0000164900000000, 0.0001524800000000, -0.0000633700000000 ] - [ -0.0001674600000000, 0.0000616500000000, 0.0002349100000000 ] - [ 0.0000018600000000, 0.0000585200000000, -0.0001856600000000 ] - [ -0.0000005800000000, -0.0001463300000000, -0.0001879800000000 ] - [ -0.0000322300000000, 0.0001241100000000, 0.0001173600000000 ] - [ -0.0001826800000000, 0.0000594700000000, -0.0003890500000000 ] - [ 0.0009212900000000, 0.0009166400000000, 0.0016192200000000 ] - [ -0.0029222900000000, -0.0145850700000000, 0.0091984600000000 ] - [ 0.0002150500000000, -0.0003379500000000, -0.0001134600000000 ] - [ 0.0001285900000000, 0.0000243600000000, -0.0002128900000000 ] - [ 0.0000407800000000, 0.0001202000000000, 0.0001214300000000 ] - [ 0.0000757200000000, -0.0001546300000000, -0.0001909600000000 ] - [ 0.0000294700000000, -0.0001959000000000, 0.0000986900000000 ] - [ -0.0005413000000000, -0.0007864000000000, -0.0000136000000000 ] - [ -0.0000629700000000, -0.0003382400000000, -0.0002297700000000 ] - [ -0.0004786800000000, 0.0002846700000000, -0.0004132500000000 ] - [ -0.0003041000000000, -0.0008407900000000, 0.0019617300000000 ] - [ -0.0557134700000000, 0.0159612900000000, 0.0366064200000000 ] - [ -0.0004700000000000, 0.0006588700000000, -0.0001284800000000 ] - [ 0.0009240500000000, 0.0005163900000000, 0.0013204800000000 ] - [ 0.0003854700000000, -0.0003927400000000, -0.0004337100000000 ] - [ -0.0004262900000000, -0.0007465800000000, -0.0001791800000000 ] - [ -0.0002623800000000, -0.0003014400000000, -0.0000956500000000 ] - [ -0.0000786900000000, -0.0001357700000000, -0.0004140500000000 ] - [ 0.0003972200000000, -0.0002247400000000, 0.0001229500000000 ] - [ -0.0000722300000000, 0.0000766600000000, -0.0004103700000000 ] - [ -0.0001239800000000, 0.0008894400000000, 0.0005169700000000 ] - [ -0.0002599100000000, 0.0002448000000000, -0.0001856200000000 ] - [ 0.0003693500000000, 0.0001869200000000, 0.0000244200000000 ] - [ 0.0001310100000000, -0.0000077400000000, -0.0000931500000000 ] - [ -0.0090119000000000, 0.0001568800000000, 0.0088051600000000 ] - [ 0.0002288800000000, -0.0000916800000000, 0.0001061800000000 ] - [ 0.0000025400000000, 0.0004453300000000, 0.0003183600000000 ] - [ 0.0016018700000000, -0.0005995200000000, 0.0006821100000000 ] - [ 0.0696775000000000, -0.0082596700000000, -0.0578406800000000 ] - [ -0.0014559800000000, 0.0011425800000000, 0.0010945100000000 ] - [ 0.0003476900000000, -0.0001725300000000, 0.0001497300000000 ] - [ 0.0001069400000000, -0.0001428700000000, -0.0000815900000000 ] - [ 0.0002930100000000, -0.0006883300000000, -0.0005479200000000 ] - [ -0.0001529000000000, -0.0000033300000000, 0.0007717700000000 ] - [ -0.0003451200000000, -0.0000188900000000, -0.0004177300000000 ] - [ 0.0001196700000000, -0.0000023100000000, 0.0000968800000000 ] - [ 0.0000923900000000, -0.0004471100000000, 0.0002111500000000 ] - [ 0.0001415800000000, 0.0002777100000000, 0.0006775700000000 ] - [ 0.0001222000000000, -0.0000051700000000, 0.0001847100000000 ] - [ -0.0003817100000000, -0.0000508300000000, -0.0001294400000000 ] - [ 0.0002513200000000, -0.0000961900000000, -0.0001556100000000 ] - [ 0.0001814100000000, -0.0000169700000000, -0.0001824300000000 ] - [ -0.0004802400000000, 0.0002115300000000, -0.0010722700000000 ] - [ 0.0001158600000000, 0.0014590200000000, -0.0015143800000000 ] - [ 0.0001476300000000, -0.0000632100000000, -0.0001810600000000 ] - [ 0.0001524800000000, 0.0004670100000000, 0.0001100600000000 ] - [ -0.0002653500000000, 0.0002053600000000, 0.0001228700000000 ] - [ -0.0000676700000000, -0.0000491900000000, -0.0003366900000000 ] - [ -0.0018304000000000, 0.0017626900000000, -0.0002992500000000 ] - [ -0.0008462200000000, -0.0000905300000000, -0.0012516900000000 ] - [ 0.0001136500000000, -0.0001565600000000, 0.0000690100000000 ] - [ -0.0001889600000000, 0.0003681000000000, 0.0001872900000000 ] - [ -0.0016590600000000, 0.0008558600000000, -0.0003170900000000 ] - [ 0.0000663100000000, -0.0003002700000000, 0.0004497900000000 ] - [ -0.0003212300000000, 0.0002383400000000, -0.0023123400000000 ] - [ 0.0001292500000000, 0.0000065000000000, -0.0000622700000000 ] - [ -0.0001007100000000, 0.0000380400000000, -0.0001492800000000 ] - [ 0.0002307400000000, -0.0000189700000000, 0.0001793900000000 ] - [ 0.0007086600000000, 0.0008054300000000, 0.0001415700000000 ] - [ -0.0001549500000000, 0.0000290400000000, 0.0002382800000000 ] - [ -0.0000861000000000, 0.0002557800000000, 0.0003519600000000 ] - [ -0.0001703900000000, -0.0003951300000000, 0.0001681900000000 ] - [ 0.0004004700000000, -0.0001364100000000, 0.0000436000000000 ] - [ 0.0000817900000000, -0.0001229300000000, 0.0000368600000000 ] - [ 0.0000620100000000, 0.0000101800000000, -0.0001202000000000 ] - [ -0.0001678700000000, -0.0000058400000000, 0.0002607900000000 ] - [ -0.0001737100000000, -0.0000987900000000, 0.0000722500000000 ] - [ 0.0000445500000000, 0.0000480500000000, 0.0000125500000000 ] - [ 0.0000204400000000, -0.0004697500000000, 0.0003549900000000 ] - [ 0.0000121200000000, -0.0002402600000000, 0.0000327600000000 ] - [ 0.0001738100000000, 0.0000026500000000, -0.0000501300000000 ] - [ -0.0002824600000000, -0.0001580300000000, -0.0002242000000000 ] - [ 0.0001047000000000, -0.0000714700000000, -0.0003911500000000 ] - [ 0.0001376100000000, 0.0001930300000000, 0.0000325100000000 ] - [ -0.0003091200000000, 0.0001802300000000, -0.0002511500000000 ] - [ 0.0000420300000000, -0.0000225700000000, -0.0000095400000000 ] - [ -0.0000875400000000, -0.0000429400000000, -0.0001583100000000 ] - [ 0.0002371300000000, 0.0002334300000000, -0.0000591100000000 ] - [ -0.0002058800000000, 0.0001166600000000, 0.0000114300000000 ] - [ 0.0001736400000000, 0.0000048200000000, -0.0000371800000000 ] - [ 0.0004256500000000, 0.0001729600000000, 0.0000220000000000 ] - [ 0.0000921400000000, 0.0002051400000000, -0.0000570700000000 ] - [ 0.0001404600000000, -0.0002012400000000, 0.0000172000000000 ] - [ -0.0001795500000000, 0.0004250400000000, 0.0001713700000000 ] - [ 0.0000050800000000, 0.0002231100000000, 0.0000082500000000 ] - [ -0.0000813100000000, -0.0002125800000000, 0.0003529700000000 ] - [ 0.0002393000000000, 0.0000623900000000, 0.0001768500000000 ]- atom: 46 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0000423900000000, -0.0003510300000000, 0.0003495900000000 ] - [ -0.0001388500000000, -0.0003794600000000, -0.0002686700000000 ] - [ 0.0007968400000000, -0.0000520400000000, 0.0010386200000000 ] - [ -0.0004283200000000, 0.0004239000000000, -0.0003017500000000 ] - [ -0.0001343500000000, 0.0002455600000000, 0.0001361400000000 ] - [ 0.0000568600000000, -0.0000333700000000, -0.0001360500000000 ] - [ 0.0000449300000000, -0.0003166900000000, -0.0001551800000000 ] - [ -0.0011813200000000, -0.0017268500000000, -0.0038324500000000 ] - [ -0.0000968400000000, -0.0001518200000000, 0.0001368900000000 ] - [ -0.0000255900000000, -0.0001404600000000, -0.0000605200000000 ] - [ -0.0000252600000000, -0.0001167900000000, 0.0001237400000000 ] - [ -0.0000490800000000, 0.0001686800000000, -0.0000593900000000 ] - [ -0.0000422300000000, 0.0002842900000000, 0.0000512900000000 ] - [ -0.0000116400000000, 0.0001323200000000, -0.0002113300000000 ] - [ -0.0000104500000000, -0.0000460000000000, -0.0002104200000000 ] - [ -0.0000044500000000, 0.0001501500000000, 0.0001343100000000 ] - [ 0.0003599200000000, 0.0001856400000000, 0.0000418600000000 ] - [ -0.0008518400000000, -0.0005764100000000, -0.0013590400000000 ] - [ 0.0031213000000000, 0.0141220400000000, -0.0095935300000000 ] - [ -0.0001511300000000, -0.0000102600000000, 0.0003665600000000 ] - [ 0.0000422700000000, 0.0002216400000000, -0.0001384800000000 ] - [ 0.0000300800000000, 0.0002241800000000, 0.0001279100000000 ] - [ 0.0000944400000000, -0.0000904800000000, -0.0001601600000000 ] - [ 0.0000408300000000, -0.0001502300000000, 0.0001497200000000 ] - [ -0.0002917900000000, -0.0005910100000000, -0.0001570200000000 ] - [ -0.0004435700000000, -0.0002778700000000, -0.0000339700000000 ] - [ 0.0003345800000000, -0.0004909100000000, -0.0003894800000000 ] - [ 0.0010972100000000, 0.0004548500000000, -0.0018345900000000 ] - [ 0.0537364600000000, -0.0149629200000000, -0.0370251200000000 ] - [ -0.0003648900000000, 0.0007289500000000, -0.0000387800000000 ] - [ -0.0014373700000000, 0.0000856200000000, -0.0015947300000000 ] - [ 0.0003736600000000, 0.0007884100000000, 0.0005876800000000 ] - [ -0.0004085000000000, -0.0006401000000000, 0.0000137500000000 ] - [ -0.0002431300000000, -0.0003120600000000, -0.0001684300000000 ] - [ -0.0000651700000000, -0.0000766800000000, -0.0003879900000000 ] - [ 0.0003623200000000, -0.0001793700000000, 0.0000313700000000 ] - [ -0.0000714500000000, 0.0001357400000000, -0.0003914400000000 ] - [ -0.0007144000000000, 0.0004986600000000, -0.0006797200000000 ] - [ -0.0002469800000000, 0.0003717200000000, -0.0000851800000000 ] - [ 0.0003901600000000, 0.0002170300000000, 0.0001264300000000 ] - [ 0.0000067900000000, -0.0000430200000000, -0.0001791300000000 ] - [ 0.0086407500000000, -0.0000657400000000, -0.0089090600000000 ] - [ 0.0002431200000000, 0.0000178700000000, 0.0002391300000000 ] - [ -0.0000021300000000, 0.0004377300000000, 0.0003276200000000 ] - [ -0.0019340300000000, 0.0006516500000000, -0.0002064700000000 ] - [ -0.0679656100000000, 0.0080678100000000, 0.0579013900000000 ] - [ 0.0010734900000000, -0.0019496400000000, -0.0007297500000000 ] - [ 0.0005071700000000, -0.0001284700000000, -0.0001061700000000 ] - [ 0.0000789900000000, -0.0002472000000000, -0.0000375900000000 ] - [ -0.0001533300000000, 0.0007351000000000, 0.0002745100000000 ] - [ -0.0001692200000000, -0.0000281500000000, -0.0002804500000000 ] - [ -0.0000865100000000, -0.0002494700000000, 0.0004542200000000 ] - [ -0.0000286000000000, 0.0000752500000000, -0.0001005800000000 ] - [ -0.0000923900000000, -0.0004350300000000, 0.0004390200000000 ] - [ -0.0001235600000000, -0.0007966300000000, -0.0006542800000000 ] - [ 0.0002344800000000, 0.0000193600000000, -0.0002795000000000 ] - [ -0.0002137800000000, -0.0002693200000000, -0.0003632900000000 ] - [ 0.0002121600000000, -0.0003356300000000, -0.0000745400000000 ] - [ 0.0001114300000000, 0.0003530700000000, 0.0002374500000000 ] - [ -0.0001174500000000, 0.0001040500000000, 0.0005927200000000 ] - [ -0.0000150400000000, -0.0015272500000000, 0.0015210000000000 ] - [ -0.0003505400000000, -0.0000209900000000, -0.0001338700000000 ] - [ 0.0003103700000000, -0.0000426000000000, -0.0003417500000000 ] - [ -0.0001667700000000, 0.0000635200000000, -0.0000920500000000 ] - [ 0.0004244300000000, 0.0000405400000000, 0.0002455100000000 ] - [ 0.0026928400000000, -0.0014626100000000, 0.0003582300000000 ] - [ 0.0010407400000000, 0.0005155700000000, 0.0011346900000000 ] - [ 0.0001801800000000, -0.0001799400000000, -0.0000131600000000 ] - [ -0.0001643300000000, 0.0004443500000000, 0.0001479700000000 ] - [ 0.0016875600000000, -0.0003387900000000, 0.0003661300000000 ] - [ -0.0002300500000000, -0.0001677800000000, 0.0002508800000000 ] - [ 0.0008095300000000, -0.0001730700000000, 0.0026424600000000 ] - [ 0.0000108300000000, -0.0000582800000000, -0.0002084200000000 ] - [ -0.0001012500000000, 0.0000473200000000, -0.0001659900000000 ] - [ 0.0002408000000000, -0.0000517800000000, 0.0001695600000000 ] - [ -0.0006987000000000, 0.0000747800000000, 0.0005116700000000 ] - [ -0.0001602200000000, 0.0000073800000000, 0.0002541300000000 ] - [ -0.0000773100000000, 0.0002110000000000, 0.0003502100000000 ] - [ -0.0001839100000000, -0.0004177300000000, 0.0001668400000000 ] - [ 0.0004547700000000, -0.0001659500000000, 0.0000020700000000 ] - [ 0.0001044900000000, -0.0002684800000000, -0.0001564800000000 ] - [ 0.0000773800000000, 0.0000412500000000, -0.0001514800000000 ] - [ -0.0001475200000000, -0.0000307300000000, 0.0002320800000000 ] - [ -0.0002600100000000, -0.0001748200000000, -0.0000374300000000 ] - [ 0.0000460100000000, 0.0000262400000000, -0.0000135900000000 ] - [ -0.0000199800000000, -0.0004127100000000, 0.0002924800000000 ] - [ 0.0000040100000000, -0.0002826400000000, -0.0000050900000000 ] - [ 0.0001834400000000, 0.0000102900000000, -0.0000411200000000 ] - [ -0.0003170000000000, -0.0001618400000000, -0.0002664700000000 ] - [ 0.0003588600000000, -0.0003613100000000, 0.0001589500000000 ] - [ 0.0001561100000000, 0.0001446600000000, 0.0000233700000000 ] - [ -0.0002907700000000, 0.0001392100000000, -0.0002401900000000 ] - [ 0.0000482800000000, -0.0000522800000000, 0.0000084900000000 ] - [ -0.0001144300000000, -0.0000428000000000, -0.0001572100000000 ] - [ 0.0002261100000000, 0.0001979300000000, -0.0001718100000000 ] - [ -0.0002268400000000, 0.0001502900000000, 0.0000189400000000 ] - [ 0.0001831400000000, -0.0000178400000000, -0.0000535400000000 ] - [ 0.0004298000000000, 0.0001286200000000, 0.0000239200000000 ] - [ 0.0000944100000000, 0.0001837600000000, -0.0000618300000000 ] - [ 0.0001513200000000, -0.0001373100000000, 0.0000392100000000 ] - [ -0.0001747800000000, 0.0003881100000000, 0.0001642800000000 ] - [ 0.0000105400000000, 0.0003001900000000, 0.0000191100000000 ] - [ -0.0000818800000000, -0.0002540700000000, 0.0003496100000000 ] - [ 0.0002327600000000, 0.0000084100000000, 0.0001720100000000 ]- atom: 47 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ 0.0003403300000000, -0.0005864100000000, 0.0011513300000000 ] - [ 0.0000369700000000, -0.0000352200000000, -0.0001282800000000 ] - [ -0.0000570600000000, -0.0000606800000000, 0.0000922000000000 ] - [ -0.0003045800000000, 0.0002417200000000, -0.0000481700000000 ] - [ -0.0000300800000000, 0.0001500300000000, 0.0001300100000000 ] - [ -0.0002317000000000, 0.0001333400000000, -0.0001530500000000 ] - [ -0.0000523500000000, -0.0001719700000000, -0.0001990300000000 ] - [ -0.0006191300000000, 0.0000134100000000, 0.0002131700000000 ] - [ -0.0001245200000000, -0.0002123200000000, 0.0001529300000000 ] - [ -0.0000496500000000, -0.0001999000000000, -0.0000612900000000 ] - [ 0.0000007200000000, -0.0001749400000000, 0.0001252700000000 ] - [ -0.0000031500000000, 0.0000520700000000, -0.0000045100000000 ] - [ 0.0000404100000000, 0.0000963600000000, -0.0001205900000000 ] - [ 0.0000073300000000, 0.0000532900000000, -0.0001966700000000 ] - [ -0.0000106600000000, -0.0000867900000000, -0.0002637200000000 ] - [ -0.0000409000000000, 0.0000531800000000, 0.0001396500000000 ] - [ 0.0000763700000000, 0.0000491900000000, -0.0001421400000000 ] - [ 0.0080798000000000, -0.0000989200000000, 0.0069577000000000 ] - [ 0.0125136800000000, 0.0021366800000000, -0.0124612500000000 ] - [ 0.0000864800000000, -0.0003982800000000, 0.0000769900000000 ] - [ 0.0001756400000000, 0.0000373300000000, -0.0001906000000000 ] - [ 0.0000278600000000, 0.0000586200000000, 0.0001160700000000 ] - [ 0.0000896000000000, -0.0002234800000000, -0.0001925900000000 ] - [ -0.0000472500000000, -0.0002860100000000, 0.0001453200000000 ] - [ -0.0003959000000000, -0.0009533900000000, -0.0002023300000000 ] - [ -0.0001672600000000, -0.0002950100000000, -0.0002792400000000 ] - [ -0.0004527500000000, -0.0002868300000000, -0.0004188300000000 ] - [ -0.0015528200000000, -0.0002748700000000, -0.0000374800000000 ] - [ 0.0031573500000000, 0.0003599700000000, 0.0012974400000000 ] - [ -0.0004280000000000, 0.0006803300000000, -0.0000836800000000 ] - [ 0.0003429400000000, 0.0005831400000000, -0.0002739900000000 ] - [ 0.0003243600000000, 0.0002834900000000, 0.0003063000000000 ] - [ -0.0003861700000000, -0.0007368400000000, -0.0000931400000000 ] - [ -0.0002787300000000, -0.0002342700000000, 0.0000203300000000 ] - [ -0.0000708800000000, -0.0001738600000000, -0.0003929700000000 ] - [ 0.0004176900000000, -0.0003120800000000, 0.0001102600000000 ] - [ -0.0000759700000000, -0.0000098800000000, -0.0004256800000000 ] - [ -0.0016176500000000, -0.0001815600000000, -0.0005553600000000 ] - [ -0.0002667700000000, 0.0002207400000000, -0.0000472700000000 ] - [ 0.0003825300000000, 0.0001709200000000, -0.0000211600000000 ] - [ 0.0000550400000000, 0.0000312600000000, -0.0001520500000000 ] - [ 0.0076422900000000, 0.0001269300000000, 0.0004147300000000 ] - [ 0.0004648100000000, -0.0001045400000000, -0.0000454600000000 ] - [ 0.0000036700000000, 0.0004506000000000, 0.0002991000000000 ] - [ 0.0061757900000000, 0.0009466100000000, -0.0013407000000000 ] - [ -0.0004448300000000, 0.0022221000000000, -0.0011277200000000 ] - [ -0.0353195200000000, -0.0012135900000000, 0.0024983000000000 ] - [ 0.0004439500000000, -0.0001438100000000, -0.0000105000000000 ] - [ 0.0000787200000000, -0.0001938600000000, -0.0000392300000000 ] - [ -0.0019554200000000, 0.0003878900000000, 0.0017718000000000 ] - [ -0.0001871600000000, 0.0000552300000000, 0.0002035900000000 ] - [ -0.0002578700000000, -0.0004292100000000, 0.0001407800000000 ] - [ 0.0001602300000000, 0.0001621600000000, 0.0002468400000000 ] - [ 0.0000711900000000, -0.0004293100000000, 0.0005230300000000 ] - [ 0.0000439200000000, -0.0002760100000000, -0.0000887700000000 ] - [ 0.0000229200000000, -0.0000449900000000, -0.0000851200000000 ] - [ -0.0003175300000000, -0.0001579300000000, -0.0003204600000000 ] - [ 0.0002976700000000, -0.0001762300000000, -0.0001244700000000 ] - [ 0.0001732800000000, 0.0009580300000000, -0.0002588400000000 ] - [ 0.0060867200000000, -0.0009507400000000, 0.0012466900000000 ] - [ -0.0018805000000000, 0.0001087900000000, -0.0010325900000000 ] - [ 0.0000005200000000, -0.0001264600000000, -0.0001331700000000 ] - [ 0.0002230600000000, 0.0004103700000000, -0.0003834500000000 ] - [ -0.0002288500000000, 0.0001547000000000, 0.0000671700000000 ] - [ -0.0000429300000000, -0.0001360000000000, -0.0001569100000000 ] - [ 0.0001152600000000, -0.0000079300000000, 0.0003418800000000 ] - [ -0.0001426200000000, 0.0003390500000000, 0.0001596200000000 ] - [ 0.0001356600000000, -0.0001167000000000, 0.0000352800000000 ] - [ -0.0002135500000000, 0.0005282300000000, 0.0001935200000000 ] - [ 0.0003613400000000, 0.0001283300000000, 0.0001139800000000 ] - [ 0.0000169500000000, -0.0001926600000000, 0.0003724600000000 ] - [ -0.0007546600000000, -0.0025988400000000, 0.0013657700000000 ] - [ 0.0000287600000000, 0.0000347700000000, -0.0000955200000000 ] - [ -0.0001103400000000, 0.0000414700000000, -0.0001379500000000 ] - [ 0.0002322200000000, 0.0000275700000000, 0.0001737100000000 ] - [ -0.0004156600000000, -0.0000032700000000, 0.0002551000000000 ] - [ -0.0001597900000000, 0.0000584800000000, 0.0002476100000000 ] - [ -0.0001005900000000, 0.0002994700000000, 0.0003518000000000 ] - [ -0.0001611600000000, -0.0003881800000000, 0.0001675200000000 ] - [ 0.0004365600000000, -0.0001996000000000, 0.0000957800000000 ] - [ 0.0000751000000000, -0.0001704300000000, -0.0001574300000000 ] - [ 0.0000741500000000, 0.0000565900000000, -0.0001161900000000 ] - [ -0.0001764900000000, -0.0000059400000000, 0.0002621600000000 ] - [ -0.0001828400000000, -0.0000137500000000, 0.0000720200000000 ] - [ 0.0000471800000000, 0.0000862100000000, 0.0000083400000000 ] - [ 0.0000217100000000, -0.0004410400000000, 0.0003428900000000 ] - [ 0.0000053200000000, -0.0002397100000000, 0.0000434100000000 ] - [ 0.0002046600000000, 0.0000045200000000, -0.0000717600000000 ] - [ -0.0002689500000000, -0.0001488600000000, -0.0002381400000000 ] - [ 0.0001382200000000, 0.0001498600000000, -0.0001797000000000 ] - [ 0.0001413000000000, 0.0001961800000000, 0.0000247400000000 ] - [ -0.0003132300000000, 0.0002040300000000, -0.0002608600000000 ] - [ 0.0000270900000000, 0.0000677400000000, -0.0000090300000000 ] - [ -0.0000974900000000, -0.0000672400000000, -0.0001632600000000 ] - [ 0.0002332300000000, 0.0002596600000000, -0.0000871200000000 ] - [ -0.0001747800000000, 0.0000565200000000, -0.0000287700000000 ] - [ 0.0001989400000000, 0.0000365200000000, -0.0000528200000000 ] - [ 0.0004095400000000, 0.0002022000000000, 0.0000109500000000 ] - [ 0.0000948900000000, 0.0002006000000000, -0.0000459300000000 ] - [ 0.0001015400000000, -0.0000857200000000, 0.0001528400000000 ] - [ -0.0001823300000000, 0.0004428900000000, 0.0001626000000000 ] - [ 0.0000438900000000, 0.0003177000000000, 0.0000055000000000 ] - [ -0.0000780900000000, -0.0001721700000000, 0.0003497400000000 ] - [ 0.0002437800000000, 0.0001011800000000, 0.0001807200000000 ]- atom: 47 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0005538500000000, 0.0002394800000000, -0.0008670800000000 ] - [ -0.0001025200000000, -0.0002825600000000, 0.0000068800000000 ] - [ 0.0000195800000000, -0.0002093100000000, 0.0001577500000000 ] - [ 0.0002414300000000, 0.0000731600000000, -0.0000743700000000 ] - [ -0.0001801300000000, 0.0001942700000000, 0.0001557900000000 ] - [ 0.0002207900000000, 0.0000651900000000, -0.0002483700000000 ] - [ 0.0000421400000000, -0.0000215000000000, -0.0002000600000000 ] - [ 0.0005817700000000, 0.0002560200000000, 0.0000384800000000 ] - [ -0.0000862000000000, -0.0001354700000000, 0.0001337700000000 ] - [ -0.0000167900000000, -0.0001234800000000, -0.0000619400000000 ] - [ -0.0000365800000000, -0.0001015300000000, 0.0001262500000000 ] - [ -0.0000604600000000, 0.0002656100000000, -0.0001164300000000 ] - [ -0.0002460200000000, 0.0002507400000000, 0.0004032200000000 ] - [ -0.0000167700000000, 0.0001365500000000, -0.0002011800000000 ] - [ -0.0000034100000000, -0.0001044600000000, -0.0001397400000000 ] - [ 0.0000016200000000, 0.0002167400000000, 0.0001148000000000 ] - [ 0.0000954400000000, 0.0001927400000000, -0.0002088900000000 ] - [ -0.0083484200000000, 0.0003822500000000, -0.0071195700000000 ] - [ -0.0119199900000000, -0.0024747900000000, 0.0115710400000000 ] - [ -0.0000176000000000, 0.0000468000000000, 0.0001719800000000 ] - [ -0.0000046600000000, 0.0002077500000000, -0.0001585900000000 ] - [ 0.0000427100000000, 0.0002814500000000, 0.0001327500000000 ] - [ 0.0000810900000000, -0.0000262200000000, -0.0001590700000000 ] - [ 0.0001164600000000, -0.0000628500000000, 0.0001035700000000 ] - [ -0.0004350900000000, -0.0004193400000000, 0.0000337600000000 ] - [ -0.0003361300000000, -0.0003194600000000, 0.0000108700000000 ] - [ 0.0003097300000000, 0.0000754700000000, -0.0003835400000000 ] - [ 0.0023106200000000, -0.0001245100000000, 0.0002595700000000 ] - [ -0.0033007200000000, -0.0001823200000000, -0.0020449400000000 ] - [ -0.0004068100000000, 0.0006998300000000, -0.0000840200000000 ] - [ -0.0008470500000000, 0.0000523700000000, 0.0000296200000000 ] - [ 0.0004363200000000, 0.0001189400000000, -0.0001526800000000 ] - [ -0.0004478200000000, -0.0006490200000000, -0.0000732800000000 ] - [ -0.0002229400000000, -0.0003761200000000, -0.0002813100000000 ] - [ -0.0000731900000000, -0.0000430300000000, -0.0004090100000000 ] - [ 0.0003412100000000, -0.0000976200000000, 0.0000483900000000 ] - [ -0.0000674600000000, 0.0002205800000000, -0.0003772100000000 ] - [ 0.0007822300000000, 0.0015619500000000, 0.0003815500000000 ] - [ -0.0002393400000000, 0.0003899800000000, -0.0002176600000000 ] - [ 0.0003761500000000, 0.0002306800000000, 0.0001704000000000 ] - [ 0.0000859500000000, -0.0000795300000000, -0.0001189000000000 ] - [ -0.0077953600000000, -0.0003133200000000, -0.0007936600000000 ] - [ 0.0000018400000000, 0.0000356300000000, 0.0003873400000000 ] - [ -0.0000034300000000, 0.0004317400000000, 0.0003482800000000 ] - [ -0.0064576700000000, -0.0009064400000000, 0.0017962600000000 ] - [ 0.0002964900000000, -0.0017475500000000, 0.0018010400000000 ] - [ 0.0347637200000000, 0.0007145000000000, -0.0011921700000000 ] - [ 0.0004107900000000, -0.0001572800000000, 0.0000555600000000 ] - [ 0.0001076900000000, -0.0001966300000000, -0.0000807800000000 ] - [ 0.0021311700000000, -0.0003093700000000, -0.0020193100000000 ] - [ -0.0001293800000000, -0.0000898900000000, 0.0002919500000000 ] - [ -0.0001735100000000, 0.0001456100000000, -0.0001093900000000 ] - [ -0.0000694000000000, -0.0000873700000000, -0.0002436600000000 ] - [ -0.0000729300000000, -0.0004549900000000, 0.0001349000000000 ] - [ -0.0000280900000000, -0.0002500500000000, 0.0001139900000000 ] - [ 0.0003322100000000, 0.0000587000000000, -0.0000063300000000 ] - [ -0.0002822700000000, -0.0001612500000000, -0.0001697900000000 ] - [ 0.0001650600000000, -0.0002534200000000, -0.0001070100000000 ] - [ 0.0001460200000000, -0.0005759400000000, 0.0003404500000000 ] - [ -0.0067131000000000, 0.0012744700000000, -0.0017777300000000 ] - [ 0.0019705500000000, -0.0001721000000000, 0.0010164800000000 ] - [ -0.0002016600000000, 0.0000397900000000, -0.0001818200000000 ] - [ 0.0002391600000000, 0.0000158200000000, 0.0001577700000000 ] - [ -0.0002047500000000, 0.0001173500000000, -0.0000337300000000 ] - [ 0.0004180100000000, 0.0001199100000000, 0.0000667200000000 ] - [ 0.0007209300000000, 0.0003088500000000, -0.0002921200000000 ] - [ 0.0003237000000000, 0.0000567600000000, -0.0002616200000000 ] - [ 0.0001555700000000, -0.0002174300000000, 0.0000205600000000 ] - [ -0.0001403300000000, 0.0002861700000000, 0.0001426700000000 ] - [ -0.0003475900000000, 0.0004025600000000, -0.0001039000000000 ] - [ -0.0001791800000000, -0.0002748500000000, 0.0003297900000000 ] - [ 0.0012190900000000, 0.0026883800000000, -0.0010473200000000 ] - [ 0.0001125100000000, -0.0000883900000000, -0.0001770900000000 ] - [ -0.0000915000000000, 0.0000448400000000, -0.0001762900000000 ] - [ 0.0002383200000000, -0.0000975900000000, 0.0001747400000000 ] - [ 0.0004161500000000, 0.0008810500000000, 0.0003831500000000 ] - [ -0.0001551200000000, -0.0000207700000000, 0.0002463300000000 ] - [ -0.0000621000000000, 0.0001701100000000, 0.0003502900000000 ] - [ -0.0001920600000000, -0.0004260100000000, 0.0001684100000000 ] - [ 0.0004181100000000, -0.0001019600000000, -0.0000539100000000 ] - [ 0.0001109800000000, -0.0002230200000000, 0.0000376500000000 ] - [ 0.0000679900000000, -0.0000032100000000, -0.0001540600000000 ] - [ -0.0001394300000000, -0.0000291700000000, 0.0002322100000000 ] - [ -0.0002508300000000, -0.0002513900000000, -0.0000407800000000 ] - [ 0.0000433600000000, -0.0000116900000000, -0.0000088000000000 ] - [ -0.0000213300000000, -0.0004412500000000, 0.0003040700000000 ] - [ 0.0000104700000000, -0.0002847200000000, -0.0000148700000000 ] - [ 0.0001525000000000, 0.0000084800000000, -0.0000212100000000 ] - [ -0.0003307400000000, -0.0001707700000000, -0.0002515300000000 ] - [ 0.0003319900000000, -0.0005535600000000, -0.0000441100000000 ] - [ 0.0001498400000000, 0.0001424300000000, 0.0000304400000000 ] - [ -0.0002873500000000, 0.0001180700000000, -0.0002296500000000 ] - [ 0.0000634300000000, -0.0001356400000000, 0.0000082600000000 ] - [ -0.0001039200000000, -0.0000201200000000, -0.0001516500000000 ] - [ 0.0002298500000000, 0.0001724500000000, -0.0001431500000000 ] - [ -0.0002589300000000, 0.0002112200000000, 0.0000590200000000 ] - [ 0.0001581400000000, -0.0000482200000000, -0.0000399000000000 ] - [ 0.0004456200000000, 0.0001012000000000, 0.0000337500000000 ] - [ 0.0000915000000000, 0.0001917900000000, -0.0000740100000000 ] - [ 0.0001888600000000, -0.0002517200000000, -0.0000952400000000 ] - [ -0.0001715900000000, 0.0003724900000000, 0.0001735000000000 ] - [ -0.0000279000000000, 0.0002133500000000, 0.0000177000000000 ] - [ -0.0000832300000000, -0.0002943000000000, 0.0003525200000000 ] - [ 0.0002277600000000, -0.0000277600000000, 0.0001681800000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005733600000000, 0.0006549200000000, -0.0015394500000000 ] - [ 0.0000395200000000, -0.0002023500000000, -0.0000097900000000 ] - [ -0.0000549800000000, -0.0000079400000000, 0.0000841700000000 ] - [ -0.0005976500000000, 0.0007768600000000, -0.0002807100000000 ] - [ 0.0003777900000000, -0.0000922700000000, 0.0003046200000000 ] - [ -0.0000653600000000, 0.0001692200000000, -0.0003106000000000 ] - [ -0.0004476300000000, -0.0003681500000000, 0.0000809900000000 ] - [ 0.0004035800000000, 0.0006540100000000, -0.0001425200000000 ] - [ -0.0001035400000000, -0.0001881100000000, 0.0001247100000000 ] - [ -0.0000387700000000, -0.0002139400000000, -0.0000190300000000 ] - [ -0.0000118100000000, -0.0001751500000000, 0.0001553100000000 ] - [ 0.0000026700000000, 0.0000973400000000, -0.0000692700000000 ] - [ -0.0001641100000000, 0.0004005600000000, 0.0004619400000000 ] - [ -0.0000053800000000, 0.0000680000000000, -0.0002776300000000 ] - [ -0.0000950500000000, -0.0000545200000000, -0.0002556400000000 ] - [ -0.0000480800000000, -0.0000088400000000, 0.0001239500000000 ] - [ 0.0002819500000000, 0.0001969300000000, -0.0000713700000000 ] - [ 0.0001657600000000, 0.0017179900000000, 0.0011498500000000 ] - [ -0.0003339800000000, -0.0019177400000000, 0.0022573200000000 ] - [ -0.0000396800000000, 0.0002227200000000, 0.0001215300000000 ] - [ 0.0001455200000000, 0.0000149300000000, -0.0001219500000000 ] - [ -0.0000461000000000, 0.0000509800000000, 0.0001057400000000 ] - [ 0.0001610100000000, -0.0002294100000000, -0.0002059300000000 ] - [ -0.0000633900000000, -0.0003416700000000, 0.0001584700000000 ] - [ -0.0004127500000000, -0.0009072900000000, -0.0000706900000000 ] - [ -0.0001420300000000, -0.0003266300000000, -0.0001220400000000 ] - [ 0.0004361800000000, -0.0004265700000000, -0.0005253000000000 ] - [ 0.0000978300000000, -0.0000570000000000, 0.0008380800000000 ] - [ 0.0004001600000000, 0.0121770500000000, -0.0098695100000000 ] - [ -0.0004337500000000, 0.0007608900000000, -0.0000412500000000 ] - [ -0.0002898500000000, 0.0001836800000000, 0.0000306400000000 ] - [ -0.0000862600000000, 0.0008007700000000, 0.0002544100000000 ] - [ -0.0003924100000000, -0.0007572600000000, -0.0000510300000000 ] - [ -0.0001929000000000, -0.0003638400000000, -0.0001728500000000 ] - [ -0.0000660600000000, -0.0001808400000000, -0.0003583700000000 ] - [ 0.0003726500000000, -0.0003355200000000, 0.0000627400000000 ] - [ -0.0000487800000000, 0.0000510800000000, -0.0004296900000000 ] - [ 0.0020410000000000, 0.0019553600000000, 0.0015498100000000 ] - [ -0.0002195500000000, -0.0002506700000000, 0.0003915400000000 ] - [ 0.0003452000000000, 0.0001388500000000, 0.0000347300000000 ] - [ 0.0000271400000000, -0.0000368900000000, -0.0001418000000000 ] - [ -0.0011738300000000, 0.0872075100000000, 0.0053715500000000 ] - [ 0.0002910800000000, -0.0002258900000000, 0.0003372200000000 ] - [ -0.0000044200000000, 0.0004632900000000, 0.0003551300000000 ] - [ 0.0007961000000000, 0.0002100800000000, 0.0002392900000000 ] - [ -0.0012661500000000, 0.0003456800000000, 0.0015738600000000 ] - [ -0.0010049300000000, -0.1131271700000000, -0.0004955300000000 ] - [ 0.0004455100000000, -0.0001860100000000, -0.0000388200000000 ] - [ 0.0001018800000000, -0.0002082400000000, -0.0000080700000000 ] - [ -0.0002882600000000, 0.0040129000000000, -0.0015156600000000 ] - [ 0.0001764200000000, -0.0001394200000000, -0.0000155900000000 ] - [ -0.0000954400000000, -0.0000350400000000, -0.0000053100000000 ] - [ -0.0000440200000000, 0.0000066600000000, 0.0000283000000000 ] - [ -0.0002065800000000, -0.0004500100000000, 0.0006454800000000 ] - [ -0.0000093300000000, -0.0007613400000000, -0.0002406400000000 ] - [ 0.0002883700000000, 0.0001311200000000, -0.0001419800000000 ] - [ -0.0002517300000000, -0.0003044400000000, -0.0003308200000000 ] - [ 0.0002251300000000, -0.0002623800000000, -0.0000737300000000 ] - [ 0.0010839600000000, 0.0029711200000000, 0.0005607400000000 ] - [ -0.0007929200000000, 0.0001209900000000, -0.0000609100000000 ] - [ -0.0001918200000000, 0.0016950500000000, -0.0034815700000000 ] - [ -0.0003095600000000, -0.0000542200000000, -0.0000347100000000 ] - [ 0.0002540600000000, 0.0003107700000000, -0.0001942300000000 ] - [ -0.0002303500000000, 0.0000841200000000, -0.0000005600000000 ] - [ 0.0004127600000000, -0.0000447800000000, 0.0002151100000000 ] - [ 0.0005126700000000, 0.0002341200000000, 0.0000836500000000 ] - [ -0.0002628900000000, 0.0007190000000000, 0.0022359100000000 ] - [ 0.0001408500000000, -0.0001574600000000, 0.0000301700000000 ] - [ -0.0002989400000000, 0.0005224300000000, 0.0000553400000000 ] - [ 0.0000953000000000, 0.0003988100000000, -0.0000981200000000 ] - [ -0.0002289500000000, -0.0002899100000000, 0.0003392800000000 ] - [ 0.0012853600000000, 0.0003719600000000, 0.0010448400000000 ] - [ 0.0000371100000000, 0.0000326300000000, -0.0002204600000000 ] - [ -0.0001127400000000, 0.0000476400000000, -0.0001571600000000 ] - [ 0.0002414200000000, 0.0000768600000000, 0.0001386200000000 ] - [ -0.0002937500000000, 0.0004634200000000, 0.0003034300000000 ] - [ -0.0001832300000000, 0.0001036400000000, 0.0002602000000000 ] - [ -0.0001007100000000, 0.0002689200000000, 0.0003555700000000 ] - [ -0.0001581200000000, -0.0004150800000000, 0.0001751500000000 ] - [ 0.0004126900000000, -0.0000992400000000, -0.0000479600000000 ] - [ 0.0002118000000000, -0.0001078500000000, -0.0002102300000000 ] - [ 0.0000712500000000, 0.0000550600000000, -0.0001242000000000 ] - [ -0.0001577600000000, 0.0000118900000000, 0.0002481600000000 ] - [ -0.0002117300000000, 0.0004393300000000, -0.0000394000000000 ] - [ 0.0000430700000000, 0.0001053000000000, 0.0000052400000000 ] - [ -0.0000299100000000, -0.0004567800000000, 0.0002671600000000 ] - [ 0.0000117500000000, -0.0002039000000000, 0.0000400100000000 ] - [ 0.0001846100000000, 0.0000188400000000, -0.0000178200000000 ] - [ -0.0002950100000000, -0.0001211800000000, -0.0002515100000000 ] - [ -0.0001344700000000, 0.0003028400000000, -0.0002690600000000 ] - [ 0.0000941100000000, 0.0001920500000000, 0.0000339000000000 ] - [ -0.0002726800000000, 0.0002510200000000, -0.0002224900000000 ] - [ 0.0000731500000000, 0.0000653700000000, 0.0000022200000000 ] - [ -0.0000978700000000, -0.0000513200000000, -0.0001647500000000 ] - [ 0.0002308100000000, 0.0001910500000000, -0.0001386000000000 ] - [ -0.0002469700000000, 0.0002052000000000, 0.0000293900000000 ] - [ 0.0002528300000000, 0.0001155500000000, -0.0000769800000000 ] - [ 0.0003627100000000, 0.0002707200000000, -0.0000081400000000 ] - [ 0.0000929400000000, 0.0001965900000000, -0.0000544800000000 ] - [ 0.0002163900000000, -0.0000751400000000, -0.0000583600000000 ] - [ -0.0002125700000000, 0.0004236900000000, 0.0001104600000000 ] - [ 0.0000040600000000, 0.0005448000000000, -0.0000146100000000 ] - [ -0.0000665000000000, -0.0001439400000000, 0.0003356900000000 ] - [ 0.0002592300000000, 0.0000831200000000, 0.0001872200000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003723500000000, -0.0010074000000000, 0.0018650600000000 ] - [ -0.0001061600000000, -0.0001153200000000, -0.0001143800000000 ] - [ 0.0000188000000000, -0.0002617300000000, 0.0001669300000000 ] - [ 0.0005451600000000, -0.0004488500000000, 0.0001571600000000 ] - [ -0.0005826900000000, 0.0004344800000000, -0.0000158600000000 ] - [ 0.0000568900000000, 0.0000250200000000, -0.0000854600000000 ] - [ 0.0004330800000000, 0.0001726200000000, -0.0004761200000000 ] - [ -0.0004500300000000, -0.0003730500000000, 0.0003918900000000 ] - [ -0.0001076300000000, -0.0001604100000000, 0.0001624400000000 ] - [ -0.0000273800000000, -0.0001095300000000, -0.0001041400000000 ] - [ -0.0000241000000000, -0.0001008100000000, 0.0000958200000000 ] - [ -0.0000673300000000, 0.0002189400000000, -0.0000534100000000 ] - [ -0.0000381900000000, -0.0000630400000000, -0.0001918800000000 ] - [ -0.0000037000000000, 0.0001208400000000, -0.0001200200000000 ] - [ 0.0000841900000000, -0.0001385700000000, -0.0001427000000000 ] - [ 0.0000100500000000, 0.0002813300000000, 0.0001275700000000 ] - [ -0.0001085200000000, 0.0000504900000000, -0.0002805800000000 ] - [ -0.0000839800000000, -0.0013348600000000, -0.0008787800000000 ] - [ 0.0004820600000000, 0.0017922300000000, -0.0025936700000000 ] - [ 0.0001051600000000, -0.0005679900000000, 0.0001228300000000 ] - [ 0.0000222800000000, 0.0002273000000000, -0.0002275200000000 ] - [ 0.0001157500000000, 0.0002874900000000, 0.0001436000000000 ] - [ 0.0000102400000000, -0.0000206000000000, -0.0001462400000000 ] - [ 0.0001351200000000, -0.0000092100000000, 0.0000907800000000 ] - [ -0.0004175600000000, -0.0004750900000000, -0.0000973300000000 ] - [ -0.0003510100000000, -0.0002862800000000, -0.0001499600000000 ] - [ -0.0005817700000000, 0.0002217900000000, -0.0002792400000000 ] - [ 0.0006723700000000, -0.0003389500000000, -0.0006943400000000 ] - [ -0.0005486600000000, -0.0117695500000000, 0.0090912500000000 ] - [ -0.0004023800000000, 0.0006268500000000, -0.0001265400000000 ] - [ -0.0002099600000000, 0.0004460000000000, -0.0003022100000000 ] - [ 0.0008440800000000, -0.0003951100000000, -0.0001039700000000 ] - [ -0.0004424700000000, -0.0006353100000000, -0.0001151000000000 ] - [ -0.0003079300000000, -0.0002483500000000, -0.0000866300000000 ] - [ -0.0000784200000000, -0.0000321200000000, -0.0004425600000000 ] - [ 0.0003873700000000, -0.0000745300000000, 0.0000932400000000 ] - [ -0.0000956400000000, 0.0001544900000000, -0.0003736000000000 ] - [ -0.0029942900000000, -0.0006264400000000, -0.0017703300000000 ] - [ -0.0002858200000000, 0.0008576800000000, -0.0006481700000000 ] - [ 0.0004137200000000, 0.0002633200000000, 0.0001135300000000 ] - [ 0.0001093600000000, -0.0000131700000000, -0.0001304400000000 ] - [ 0.0008132000000000, -0.0826562800000000, -0.0055598900000000 ] - [ 0.0001778800000000, 0.0001556600000000, -0.0000027000000000 ] - [ 0.0000049600000000, 0.0004213100000000, 0.0002916600000000 ] - [ -0.0011328400000000, -0.0001847300000000, 0.0002580400000000 ] - [ 0.0010980200000000, 0.0001037900000000, -0.0008756600000000 ] - [ 0.0009173100000000, 0.1075807500000000, 0.0006740900000000 ] - [ 0.0004083900000000, -0.0001165300000000, 0.0000866200000000 ] - [ 0.0000854500000000, -0.0001790400000000, -0.0001088300000000 ] - [ 0.0004060400000000, -0.0039628200000000, 0.0013163700000000 ] - [ -0.0004930700000000, 0.0001028100000000, 0.0005112300000000 ] - [ -0.0003402200000000, -0.0002441100000000, 0.0000433400000000 ] - [ 0.0001352300000000, 0.0000663000000000, -0.0000287600000000 ] - [ 0.0002083700000000, -0.0004363100000000, 0.0000021400000000 ] - [ 0.0000272400000000, 0.0002368800000000, 0.0002665500000000 ] - [ 0.0000621100000000, -0.0001178800000000, 0.0000613400000000 ] - [ -0.0003471700000000, -0.0000160500000000, -0.0001602700000000 ] - [ 0.0002378900000000, -0.0001634900000000, -0.0001574100000000 ] - [ -0.0008045400000000, -0.0027031700000000, -0.0005112600000000 ] - [ 0.0002045100000000, 0.0001918600000000, -0.0004232300000000 ] - [ 0.0002921000000000, -0.0016852500000000, 0.0033840700000000 ] - [ 0.0001093900000000, -0.0000290500000000, -0.0002748200000000 ] - [ 0.0002088700000000, 0.0001183200000000, -0.0000352300000000 ] - [ -0.0002045000000000, 0.0001857100000000, 0.0000362400000000 ] - [ -0.0000590500000000, 0.0000281300000000, -0.0002984600000000 ] - [ 0.0003329100000000, 0.0000627300000000, -0.0000257900000000 ] - [ 0.0004605700000000, -0.0003155800000000, -0.0023542900000000 ] - [ 0.0001535700000000, -0.0001787300000000, 0.0000274000000000 ] - [ -0.0000573000000000, 0.0002896900000000, 0.0002779000000000 ] - [ -0.0000798000000000, 0.0001161400000000, 0.0001288600000000 ] - [ 0.0000643600000000, -0.0001790200000000, 0.0003631300000000 ] - [ -0.0008098900000000, -0.0003234300000000, -0.0007002900000000 ] - [ 0.0001013300000000, -0.0000855800000000, -0.0000530500000000 ] - [ -0.0000896800000000, 0.0000369500000000, -0.0001569500000000 ] - [ 0.0002303800000000, -0.0001452600000000, 0.0002109900000000 ] - [ 0.0003084200000000, 0.0004167500000000, 0.0003438400000000 ] - [ -0.0001320000000000, -0.0000641900000000, 0.0002314900000000 ] - [ -0.0000644700000000, 0.0002002800000000, 0.0003468500000000 ] - [ -0.0001959100000000, -0.0003954500000000, 0.0001596300000000 ] - [ 0.0004426400000000, -0.0002032300000000, 0.0000932400000000 ] - [ -0.0000283600000000, -0.0002830300000000, 0.0000943900000000 ] - [ 0.0000663900000000, -0.0000008000000000, -0.0001474100000000 ] - [ -0.0001577300000000, -0.0000474100000000, 0.0002427600000000 ] - [ -0.0002203900000000, -0.0006930700000000, 0.0000646100000000 ] - [ 0.0000477800000000, -0.0000270700000000, -0.0000056200000000 ] - [ 0.0000307800000000, -0.0004276300000000, 0.0003794600000000 ] - [ 0.0000048300000000, -0.0003146300000000, -0.0000114000000000 ] - [ 0.0001718000000000, -0.0000057900000000, -0.0000731900000000 ] - [ -0.0003044500000000, -0.0001973300000000, -0.0002408400000000 ] - [ 0.0006213300000000, -0.0007394500000000, 0.0000414600000000 ] - [ 0.0001998900000000, 0.0001492500000000, 0.0000223800000000 ] - [ -0.0003272700000000, 0.0000713100000000, -0.0002695500000000 ] - [ 0.0000163200000000, -0.0001373000000000, -0.0000036000000000 ] - [ -0.0001041000000000, -0.0000338700000000, -0.0001506300000000 ] - [ 0.0002328100000000, 0.0002404200000000, -0.0000913500000000 ] - [ -0.0001859700000000, 0.0000595900000000, -0.0000008900000000 ] - [ 0.0001050600000000, -0.0001244400000000, -0.0000127300000000 ] - [ 0.0004916800000000, 0.0000348800000000, 0.0000542400000000 ] - [ 0.0000940000000000, 0.0001917700000000, -0.0000637000000000 ] - [ 0.0000741300000000, -0.0002643500000000, 0.0001195900000000 ] - [ -0.0001424800000000, 0.0003888300000000, 0.0002257200000000 ] - [ 0.0000130300000000, -0.0000138000000000, 0.0000377500000000 ] - [ -0.0000963900000000, -0.0003195100000000, 0.0003670400000000 ] - [ 0.0002142600000000, -0.0000100000000000, 0.0001624600000000 ]- atom: 47 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ 0.0009579400000000, -0.0009947800000000, 0.0021409600000000 ] - [ 0.0000130200000000, -0.0002286600000000, -0.0001926600000000 ] - [ -0.0000451200000000, 0.0000749800000000, -0.0002927600000000 ] - [ 0.0003675000000000, -0.0000801700000000, 0.0002442600000000 ] - [ -0.0003594000000000, 0.0003249800000000, 0.0000482400000000 ] - [ 0.0000189500000000, 0.0001597300000000, -0.0002425300000000 ] - [ 0.0002089900000000, 0.0000649500000000, -0.0003831500000000 ] - [ -0.0001025700000000, -0.0000453900000000, 0.0004570200000000 ] - [ -0.0001076600000000, -0.0002096600000000, 0.0001642800000000 ] - [ -0.0000395300000000, -0.0001697800000000, -0.0000861700000000 ] - [ -0.0000101500000000, -0.0001493100000000, 0.0001165100000000 ] - [ 0.0000163800000000, 0.0001789800000000, -0.0000381000000000 ] - [ -0.0000148500000000, 0.0002034000000000, 0.0003050500000000 ] - [ -0.0000084800000000, 0.0000193200000000, -0.0001213000000000 ] - [ -0.0001497400000000, -0.0001004800000000, -0.0001900400000000 ] - [ -0.0000676800000000, 0.0001141100000000, 0.0001566100000000 ] - [ -0.0000128300000000, 0.0000621300000000, -0.0003626600000000 ] - [ 0.0048610200000000, 0.0016032300000000, 0.0080662100000000 ] - [ -0.0151701800000000, -0.0007135800000000, 0.0180753900000000 ] - [ 0.0000107600000000, -0.0004227400000000, -0.0002114300000000 ] - [ 0.0000952900000000, 0.0002344700000000, -0.0001311500000000 ] - [ 0.0000972600000000, 0.0001689900000000, 0.0001205600000000 ] - [ 0.0000173600000000, -0.0001296600000000, -0.0001700600000000 ] - [ 0.0000061900000000, -0.0002748900000000, 0.0000720100000000 ] - [ -0.0001139900000000, 0.0000270100000000, 0.0000636800000000 ] - [ 0.0001211200000000, -0.0002683600000000, -0.0003642800000000 ] - [ -0.0003863800000000, -0.0000389800000000, -0.0005805400000000 ] - [ 0.0008539700000000, -0.0005149300000000, 0.0011093700000000 ] - [ -0.0005653200000000, -0.0046005500000000, 0.0005255000000000 ] - [ -0.0004211600000000, 0.0006513200000000, -0.0001273400000000 ] - [ -0.0004218600000000, 0.0006889100000000, 0.0003221000000000 ] - [ 0.0005428700000000, -0.0001722900000000, -0.0003424500000000 ] - [ -0.0004691300000000, -0.0007226300000000, -0.0001199600000000 ] - [ -0.0002229200000000, -0.0001926800000000, -0.0000372700000000 ] - [ -0.0000718500000000, -0.0001318600000000, -0.0004094400000000 ] - [ 0.0003723500000000, -0.0002305500000000, 0.0002017000000000 ] - [ -0.0000616800000000, 0.0001374600000000, -0.0003845800000000 ] - [ 0.0006558100000000, 0.0013001100000000, 0.0016254700000000 ] - [ -0.0002559000000000, 0.0005601800000000, -0.0004962800000000 ] - [ 0.0002965000000000, 0.0002004900000000, 0.0000204700000000 ] - [ 0.0001120400000000, -0.0000003500000000, -0.0001099500000000 ] - [ -0.0026943200000000, 0.0082716800000000, 0.0094657600000000 ] - [ 0.0003805800000000, 0.0001057600000000, 0.0001800600000000 ] - [ 0.0000015700000000, 0.0004341700000000, 0.0002975500000000 ] - [ -0.0032549600000000, -0.0002916100000000, -0.0005411400000000 ] - [ -0.0003337500000000, -0.0031482800000000, 0.0015711200000000 ] - [ 0.0127983100000000, -0.0003939500000000, -0.0452429700000000 ] - [ 0.0003527700000000, -0.0001405300000000, 0.0001186900000000 ] - [ 0.0000624300000000, -0.0001958500000000, -0.0000576300000000 ] - [ 0.0002090700000000, 0.0007220300000000, -0.0017036300000000 ] - [ -0.0002716600000000, 0.0000061400000000, 0.0004673100000000 ] - [ -0.0002250000000000, -0.0002170400000000, -0.0000904100000000 ] - [ 0.0002665500000000, 0.0001387800000000, 0.0001381200000000 ] - [ -0.0000370400000000, -0.0001531400000000, 0.0001176500000000 ] - [ 0.0000801300000000, -0.0001178100000000, 0.0002109500000000 ] - [ -0.0000464900000000, 0.0002672300000000, 0.0004381500000000 ] - [ -0.0003611000000000, -0.0001278000000000, -0.0000156300000000 ] - [ 0.0002089200000000, -0.0001935600000000, -0.0001502100000000 ] - [ 0.0006987300000000, 0.0005278600000000, -0.0005203700000000 ] - [ -0.0007725700000000, 0.0002354400000000, -0.0018707800000000 ] - [ 0.0004519300000000, -0.0027280000000000, 0.0016195600000000 ] - [ -0.0001020500000000, -0.0000478200000000, -0.0000666900000000 ] - [ -0.0000614400000000, -0.0002220800000000, 0.0004420600000000 ] - [ -0.0002968800000000, 0.0002718600000000, 0.0001966300000000 ] - [ 0.0004258100000000, -0.0000006700000000, -0.0002174200000000 ] - [ 0.0005371800000000, 0.0002052100000000, -0.0003669300000000 ] - [ -0.0000567900000000, 0.0026154800000000, 0.0051567400000000 ] - [ 0.0001413300000000, -0.0001196500000000, 0.0000734300000000 ] - [ -0.0001407300000000, 0.0004738000000000, 0.0002925800000000 ] - [ -0.0001048600000000, 0.0005693200000000, -0.0004876700000000 ] - [ 0.0000413100000000, -0.0002213100000000, 0.0004172200000000 ] - [ 0.0006990000000000, -0.0021938800000000, 0.0008374500000000 ] - [ 0.0000111800000000, -0.0002239500000000, -0.0001631300000000 ] - [ -0.0001027000000000, 0.0000393800000000, -0.0001678300000000 ] - [ 0.0002322800000000, -0.0000324500000000, 0.0001847900000000 ] - [ 0.0003848700000000, 0.0002627100000000, 0.0005202400000000 ] - [ -0.0001176900000000, 0.0000181200000000, 0.0002231100000000 ] - [ -0.0000740600000000, 0.0002181600000000, 0.0003519200000000 ] - [ -0.0001820000000000, -0.0004073200000000, 0.0001765200000000 ] - [ 0.0004339300000000, -0.0001699800000000, -0.0001035300000000 ] - [ 0.0000964800000000, -0.0002570300000000, -0.0000369100000000 ] - [ 0.0000814100000000, 0.0000428300000000, -0.0001349200000000 ] - [ -0.0001548300000000, -0.0000241100000000, 0.0002399000000000 ] - [ -0.0002579000000000, -0.0005666700000000, -0.0000275300000000 ] - [ 0.0000437400000000, 0.0000311800000000, 0.0000073600000000 ] - [ 0.0000527100000000, -0.0004145300000000, 0.0003501900000000 ] - [ 0.0000322500000000, -0.0002653900000000, 0.0000399900000000 ] - [ 0.0002340400000000, -0.0000030800000000, -0.0000172100000000 ] - [ -0.0002693600000000, -0.0001785200000000, -0.0002157500000000 ] - [ -0.0000739000000000, 0.0001078700000000, -0.0005065400000000 ] - [ 0.0001797400000000, 0.0001820900000000, 0.0000223000000000 ] - [ -0.0003300800000000, 0.0001489400000000, -0.0002615300000000 ] - [ 0.0000497200000000, -0.0000214600000000, -0.0000044500000000 ] - [ -0.0001311500000000, -0.0000774100000000, -0.0001558000000000 ] - [ 0.0002421900000000, 0.0002501300000000, -0.0000796500000000 ] - [ -0.0002117900000000, 0.0000591900000000, 0.0000039700000000 ] - [ 0.0001233800000000, -0.0000530100000000, -0.0000113500000000 ] - [ 0.0004814300000000, 0.0000986600000000, 0.0000527800000000 ] - [ 0.0000957700000000, 0.0002111200000000, -0.0000633800000000 ] - [ 0.0000056400000000, -0.0001948000000000, -0.0001047800000000 ] - [ -0.0001801300000000, 0.0004516000000000, 0.0001620500000000 ] - [ -0.0000015200000000, 0.0002576900000000, 0.0000319100000000 ] - [ -0.0000664100000000, -0.0002333600000000, 0.0003603600000000 ] - [ 0.0002298600000000, 0.0000291500000000, 0.0001760800000000 ]- atom: 47 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0011389300000000, 0.0006266600000000, -0.0018284500000000 ] - [ -0.0000808900000000, -0.0000892500000000, 0.0000684300000000 ] - [ 0.0000091300000000, -0.0003471100000000, 0.0005460300000000 ] - [ -0.0004277200000000, 0.0003978300000000, -0.0003669500000000 ] - [ 0.0001482900000000, 0.0000202400000000, 0.0002375200000000 ] - [ -0.0000287900000000, 0.0000305100000000, -0.0001531200000000 ] - [ -0.0002179100000000, -0.0002580200000000, -0.0000158800000000 ] - [ 0.0000589400000000, 0.0003184400000000, -0.0002052300000000 ] - [ -0.0001032800000000, -0.0001377900000000, 0.0001222800000000 ] - [ -0.0000269800000000, -0.0001522500000000, -0.0000368100000000 ] - [ -0.0000256600000000, -0.0001260200000000, 0.0001351100000000 ] - [ -0.0000813600000000, 0.0001406100000000, -0.0000839500000000 ] - [ -0.0001957100000000, 0.0001434000000000, -0.0000193200000000 ] - [ -0.0000007300000000, 0.0001715000000000, -0.0002765800000000 ] - [ 0.0001398000000000, -0.0000910400000000, -0.0002093400000000 ] - [ 0.0000302100000000, 0.0001588900000000, 0.0000960500000000 ] - [ 0.0001846000000000, 0.0001824200000000, 0.0000127600000000 ] - [ -0.0049306900000000, -0.0012971000000000, -0.0078770000000000 ] - [ 0.0161880200000000, 0.0003021700000000, -0.0191231800000000 ] - [ 0.0000595400000000, 0.0000693700000000, 0.0004609700000000 ] - [ 0.0000741400000000, 0.0000110200000000, -0.0002178200000000 ] - [ -0.0000267600000000, 0.0001733700000000, 0.0001284200000000 ] - [ 0.0001533800000000, -0.0001174600000000, -0.0001812600000000 ] - [ 0.0000623800000000, -0.0000706000000000, 0.0001791000000000 ] - [ -0.0007179600000000, -0.0013947700000000, -0.0002235800000000 ] - [ -0.0006272800000000, -0.0003446200000000, 0.0000981900000000 ] - [ 0.0002345400000000, -0.0001707300000000, -0.0002222900000000 ] - [ -0.0001059600000000, 0.0001217600000000, -0.0009951500000000 ] - [ 0.0004318800000000, 0.0048049700000000, -0.0013048100000000 ] - [ -0.0004133500000000, 0.0007290700000000, -0.0000398500000000 ] - [ -0.0000751700000000, -0.0000759100000000, -0.0005800500000000 ] - [ 0.0002184000000000, 0.0005706400000000, 0.0004958000000000 ] - [ -0.0003646100000000, -0.0006609100000000, -0.0000466500000000 ] - [ -0.0002789500000000, -0.0004160900000000, -0.0002248000000000 ] - [ -0.0000719000000000, -0.0000846600000000, -0.0003922400000000 ] - [ 0.0003873600000000, -0.0001748700000000, -0.0000443800000000 ] - [ -0.0000817900000000, 0.0000775800000000, -0.0004182200000000 ] - [ -0.0014885900000000, 0.0000852500000000, -0.0017867700000000 ] - [ -0.0002501100000000, 0.0000506800000000, 0.0002302000000000 ] - [ 0.0004637600000000, 0.0002005300000000, 0.0001309400000000 ] - [ 0.0000292000000000, -0.0000475000000000, -0.0001605400000000 ] - [ 0.0025717600000000, -0.0084821900000000, -0.0098100800000000 ] - [ 0.0000912700000000, -0.0001750500000000, 0.0001663800000000 ] - [ -0.0000009700000000, 0.0004463000000000, 0.0003481800000000 ] - [ 0.0029216100000000, 0.0003237900000000, 0.0010590900000000 ] - [ 0.0002139800000000, 0.0036731900000000, -0.0009427300000000 ] - [ -0.0139938800000000, 0.0000806600000000, 0.0465193500000000 ] - [ 0.0005022600000000, -0.0001597400000000, -0.0000748300000000 ] - [ 0.0001232200000000, -0.0001961100000000, -0.0000634000000000 ] - [ -0.0000516500000000, -0.0006892700000000, 0.0014035400000000 ] - [ -0.0000465900000000, -0.0000411500000000, 0.0000286300000000 ] - [ -0.0002090100000000, -0.0000552400000000, 0.0001217400000000 ] - [ -0.0001734700000000, -0.0000646000000000, -0.0001380600000000 ] - [ 0.0000343600000000, -0.0007189300000000, 0.0005229600000000 ] - [ -0.0000610200000000, -0.0004073700000000, -0.0001862200000000 ] - [ 0.0004023900000000, -0.0002548700000000, -0.0005334800000000 ] - [ -0.0002390900000000, -0.0001910500000000, -0.0004744400000000 ] - [ 0.0002542500000000, -0.0002342500000000, -0.0000811600000000 ] - [ -0.0004107100000000, -0.0001765200000000, 0.0005756600000000 ] - [ 0.0002297100000000, 0.0000759100000000, 0.0013865000000000 ] - [ -0.0003644200000000, 0.0026573900000000, -0.0016227100000000 ] - [ -0.0000953900000000, -0.0000394700000000, -0.0002464700000000 ] - [ 0.0005207700000000, 0.0006419200000000, -0.0006635400000000 ] - [ -0.0001359200000000, 0.0000002000000000, -0.0001647300000000 ] - [ -0.0000731900000000, -0.0000142100000000, 0.0001230000000000 ] - [ 0.0002955100000000, 0.0001022600000000, 0.0004255200000000 ] - [ 0.0002286700000000, -0.0022747800000000, -0.0053508600000000 ] - [ 0.0001490600000000, -0.0002142800000000, -0.0000179800000000 ] - [ -0.0002124600000000, 0.0003412900000000, 0.0000445300000000 ] - [ 0.0001189400000000, -0.0000468400000000, 0.0005160100000000 ] - [ -0.0002012500000000, -0.0002487000000000, 0.0002842800000000 ] - [ -0.0002598600000000, 0.0022759600000000, -0.0005176300000000 ] - [ 0.0001317300000000, 0.0001715500000000, -0.0001079000000000 ] - [ -0.0000992100000000, 0.0000485900000000, -0.0001461500000000 ] - [ 0.0002381800000000, -0.0000380200000000, 0.0001627800000000 ] - [ -0.0003865100000000, 0.0006247200000000, 0.0001090700000000 ] - [ -0.0001972300000000, 0.0000192400000000, 0.0002717900000000 ] - [ -0.0000879900000000, 0.0002518300000000, 0.0003498300000000 ] - [ -0.0001714500000000, -0.0004082000000000, 0.0001603300000000 ] - [ 0.0004213700000000, -0.0001319900000000, 0.0001422900000000 ] - [ 0.0000935000000000, -0.0001391000000000, -0.0000856400000000 ] - [ 0.0000606100000000, 0.0000076900000000, -0.0001350600000000 ] - [ -0.0001608600000000, -0.0000117900000000, 0.0002543900000000 ] - [ -0.0001750500000000, 0.0002994700000000, 0.0000579300000000 ] - [ 0.0000467800000000, 0.0000435500000000, -0.0000081900000000 ] - [ -0.0000513900000000, -0.0004656800000000, 0.0002960600000000 ] - [ -0.0000167900000000, -0.0002600300000000, -0.0000124200000000 ] - [ 0.0001226000000000, 0.0000168000000000, -0.0000773300000000 ] - [ -0.0003319700000000, -0.0001415200000000, -0.0002738800000000 ] - [ 0.0005411900000000, -0.0005296400000000, 0.0002802600000000 ] - [ 0.0001107900000000, 0.0001540900000000, 0.0000328600000000 ] - [ -0.0002707000000000, 0.0001722700000000, -0.0002280000000000 ] - [ 0.0000405400000000, -0.0000519600000000, 0.0000038600000000 ] - [ -0.0000704200000000, -0.0000108100000000, -0.0001585800000000 ] - [ 0.0002208400000000, 0.0001807500000000, -0.0001507000000000 ] - [ -0.0002213600000000, 0.0002096400000000, 0.0000256200000000 ] - [ 0.0002331800000000, 0.0000398300000000, -0.0000818900000000 ] - [ 0.0003739800000000, 0.0002030500000000, -0.0000088400000000 ] - [ 0.0000904500000000, 0.0001815200000000, -0.0000575500000000 ] - [ 0.0002831200000000, -0.0001463300000000, 0.0001598400000000 ] - [ -0.0001738500000000, 0.0003644600000000, 0.0001744900000000 ] - [ 0.0000174700000000, 0.0002722600000000, -0.0000073500000000 ] - [ -0.0000942300000000, -0.0002346600000000, 0.0003413000000000 ] - [ 0.0002413200000000, 0.0000439300000000, 0.0001721800000000 ]- atom: 48 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0002277500000000, -0.0002178100000000, 0.0000760700000000 ] - [ -0.0002314200000000, 0.0001714400000000, -0.0000887200000000 ] - [ 0.0002011800000000, -0.0002084600000000, 0.0001814600000000 ] - [ 0.0008290200000000, -0.0011522600000000, -0.0010443200000000 ] - [ -0.0000761900000000, 0.0000331800000000, 0.0003392600000000 ] - [ 0.0000562200000000, 0.0000138100000000, -0.0002175900000000 ] - [ 0.0001864000000000, 0.0000662500000000, -0.0007859300000000 ] - [ -0.0002331100000000, 0.0000419600000000, -0.0000639100000000 ] - [ 0.0006244000000000, -0.0004684500000000, 0.0002157600000000 ] - [ 0.0000453800000000, -0.0001102200000000, -0.0000737400000000 ] - [ -0.0001207800000000, -0.0001491200000000, 0.0001298100000000 ] - [ -0.0000467100000000, 0.0001676500000000, -0.0000638300000000 ] - [ -0.0001199700000000, 0.0001667400000000, 0.0001212800000000 ] - [ -0.0003630300000000, -0.0003343600000000, 0.0000078400000000 ] - [ 0.0000021100000000, -0.0001068900000000, -0.0001914300000000 ] - [ -0.0000079400000000, 0.0001431200000000, 0.0001521500000000 ] - [ 0.0075797900000000, 0.0046525100000000, -0.0104511100000000 ] - [ 0.0001554900000000, 0.0001765600000000, 0.0001327400000000 ] - [ -0.0000413800000000, -0.0001417100000000, -0.0002184400000000 ] - [ -0.0032820100000000, 0.0003845500000000, -0.0020548700000000 ] - [ 0.0000051600000000, 0.0001016300000000, -0.0001653000000000 ] - [ -0.0000998300000000, 0.0002383100000000, -0.0000127700000000 ] - [ -0.0000238000000000, 0.0001025000000000, -0.0001313200000000 ] - [ 0.0001250600000000, -0.0002167600000000, 0.0001163200000000 ] - [ -0.0003645400000000, -0.0006497100000000, -0.0000860900000000 ] - [ 0.0654729900000000, 0.0021377300000000, 0.0405659500000000 ] - [ -0.0038440100000000, 0.0006906500000000, 0.0005882500000000 ] - [ 0.0004976400000000, -0.0001927200000000, 0.0000279500000000 ] - [ -0.0000459200000000, 0.0001289900000000, -0.0002687000000000 ] - [ -0.0002909700000000, 0.0010725000000000, -0.0001739100000000 ] - [ -0.0003364900000000, 0.0002929900000000, -0.0001420300000000 ] - [ 0.0060186400000000, 0.0021251000000000, 0.0003834300000000 ] - [ -0.0032716700000000, -0.0002776100000000, -0.0002639400000000 ] - [ -0.0003127500000000, -0.0003909700000000, -0.0004046400000000 ] - [ -0.0000733600000000, -0.0003118100000000, -0.0003236100000000 ] - [ 0.0002649200000000, -0.0001932900000000, 0.0000318500000000 ] - [ -0.0001560100000000, 0.0000866800000000, -0.0004175600000000 ] - [ -0.0004227900000000, 0.0007023900000000, -0.0000988200000000 ] - [ 0.0003274900000000, 0.0001198500000000, -0.0000831500000000 ] - [ 0.0003455200000000, 0.0002567100000000, 0.0003000100000000 ] - [ 0.0029719700000000, -0.0017739100000000, -0.0024809900000000 ] - [ -0.0001820000000000, 0.0001491700000000, -0.0000441500000000 ] - [ 0.0012895000000000, -0.0003264400000000, 0.0003084000000000 ] - [ -0.0000513400000000, 0.0005648600000000, 0.0000184200000000 ] - [ -0.0001349600000000, 0.0000707900000000, 0.0002916800000000 ] - [ -0.0000677500000000, 0.0002850000000000, 0.0002715700000000 ] - [ -0.0001603200000000, -0.0003892700000000, 0.0000948800000000 ] - [ -0.0976899900000000, -0.0073915900000000, -0.0355417600000000 ] - [ 0.0062574600000000, 0.0004129900000000, 0.0016331200000000 ] - [ 0.0001032600000000, 0.0000063800000000, -0.0001356700000000 ] - [ -0.0024535300000000, 0.0004121600000000, -0.0011332300000000 ] - [ -0.0002021100000000, -0.0001071000000000, 0.0000146700000000 ] - [ 0.0012916900000000, 0.0003350700000000, -0.0004718600000000 ] - [ -0.0000090600000000, -0.0004382400000000, 0.0004022300000000 ] - [ -0.0006295600000000, -0.0016375100000000, 0.0002205700000000 ] - [ 0.0124648400000000, -0.0019288300000000, 0.0039930700000000 ] - [ 0.0005836400000000, -0.0015222300000000, 0.0014761500000000 ] - [ 0.0004896500000000, -0.0004624700000000, 0.0002616900000000 ] - [ 0.0001351800000000, 0.0001765200000000, 0.0000095600000000 ] - [ -0.0003282400000000, 0.0001839600000000, -0.0001680100000000 ] - [ 0.0000571800000000, -0.0000988700000000, -0.0001975100000000 ] - [ 0.0004053000000000, -0.0000040800000000, -0.0004864900000000 ] - [ 0.0001380300000000, 0.0003620800000000, -0.0001411300000000 ] - [ 0.0009734100000000, 0.0027291400000000, 0.0050392600000000 ] - [ 0.0001808300000000, -0.0000112900000000, -0.0000442800000000 ] - [ 0.0004373900000000, 0.0001530800000000, 0.0000527400000000 ] - [ 0.0000832300000000, 0.0001861700000000, -0.0000713600000000 ] - [ 0.0003073300000000, 0.0005033900000000, 0.0003980500000000 ] - [ -0.0004701100000000, 0.0003210200000000, 0.0001781800000000 ] - [ -0.0000482800000000, 0.0002559500000000, 0.0000475600000000 ] - [ 0.0041491100000000, 0.0010613000000000, -0.0005668500000000 ] - [ 0.0001932900000000, -0.0000094000000000, 0.0001668200000000 ] - [ 0.0001176100000000, -0.0001136500000000, -0.0001638200000000 ] - [ -0.0000859800000000, 0.0000797400000000, -0.0001269200000000 ] - [ 0.0002081900000000, 0.0000914300000000, 0.0001911600000000 ] - [ 0.0000054700000000, 0.0004375300000000, 0.0003020700000000 ] - [ -0.0002503000000000, 0.0000128300000000, 0.0001984600000000 ] - [ -0.0000327100000000, 0.0002268800000000, 0.0003395400000000 ] - [ -0.0001673100000000, -0.0004231900000000, 0.0001777200000000 ] - [ 0.0004823600000000, -0.0001198900000000, 0.0000419800000000 ] - [ 0.0000829500000000, -0.0002213800000000, -0.0000944200000000 ] - [ -0.0002650800000000, -0.0002854100000000, -0.0000717900000000 ] - [ -0.0000927200000000, -0.0000399500000000, 0.0002243000000000 ] - [ -0.0003214600000000, -0.0000469200000000, 0.0000160400000000 ] - [ -0.0000757600000000, -0.0001274100000000, -0.0000856500000000 ] - [ 0.0005921800000000, -0.0011598200000000, 0.0000289300000000 ] - [ -0.0000001400000000, -0.0003077100000000, -0.0000521500000000 ] - [ 0.0001268300000000, 0.0000533400000000, -0.0000230700000000 ] - [ -0.0003330600000000, -0.0001721600000000, -0.0002579100000000 ] - [ 0.0002250300000000, -0.0002109800000000, -0.0001106100000000 ] - [ 0.0000202600000000, 0.0001652500000000, 0.0001948800000000 ] - [ -0.0003108000000000, 0.0001672900000000, -0.0002665800000000 ] - [ 0.0000720900000000, -0.0000603400000000, 0.0000135500000000 ] - [ -0.0001174800000000, -0.0000231900000000, -0.0002455800000000 ] - [ 0.0008597900000000, 0.0002013900000000, -0.0001722600000000 ] - [ -0.0002331300000000, 0.0002309500000000, 0.0001579400000000 ] - [ 0.0000763900000000, -0.0000042900000000, 0.0001229500000000 ] - [ 0.0002137800000000, 0.0001768300000000, -0.0001691900000000 ] - [ 0.0001721500000000, 0.0000273900000000, 0.0001062300000000 ] - [ 0.0001661500000000, -0.0002316800000000, 0.0000110700000000 ] - [ -0.0001948300000000, 0.0004720400000000, 0.0002187500000000 ] - [ 0.0000187200000000, 0.0002659500000000, 0.0000202800000000 ] - [ -0.0000629800000000, -0.0001105900000000, 0.0003554500000000 ] - [ 0.0002738000000000, 0.0000303300000000, 0.0001789000000000 ]- atom: 48 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ 0.0000178600000000, -0.0001283600000000, 0.0002110300000000 ] - [ 0.0001668400000000, -0.0004903300000000, -0.0000334400000000 ] - [ -0.0002390100000000, -0.0000668500000000, 0.0000684900000000 ] - [ -0.0009090100000000, 0.0014711000000000, 0.0009208000000000 ] - [ -0.0001340300000000, 0.0003142800000000, -0.0000542200000000 ] - [ -0.0000661400000000, 0.0001782100000000, -0.0001801800000000 ] - [ -0.0001946900000000, -0.0002568100000000, 0.0003859000000000 ] - [ 0.0001981900000000, 0.0002340800000000, 0.0003179100000000 ] - [ -0.0008378200000000, 0.0001163000000000, 0.0000690200000000 ] - [ -0.0001112300000000, -0.0002108800000000, -0.0000487800000000 ] - [ 0.0000848300000000, -0.0001253800000000, 0.0001215800000000 ] - [ -0.0000192900000000, 0.0001533900000000, -0.0000589700000000 ] - [ -0.0000906000000000, 0.0001796600000000, 0.0001652400000000 ] - [ 0.0003543400000000, 0.0005212600000000, -0.0004059000000000 ] - [ -0.0000116600000000, -0.0000848100000000, -0.0002068700000000 ] - [ -0.0000280100000000, 0.0001311900000000, 0.0000992500000000 ] - [ -0.0077409800000000, -0.0046112300000000, 0.0106137800000000 ] - [ -0.0000855700000000, 0.0001672500000000, 0.0001166700000000 ] - [ 0.0002135700000000, -0.0001040400000000, -0.0001320200000000 ] - [ 0.0033227600000000, -0.0007352300000000, 0.0022873500000000 ] - [ 0.0001667500000000, 0.0001441900000000, -0.0001856300000000 ] - [ 0.0001679800000000, 0.0001056800000000, 0.0002616900000000 ] - [ 0.0001980200000000, -0.0003423400000000, -0.0002209600000000 ] - [ -0.0000555000000000, -0.0001295200000000, 0.0001329500000000 ] - [ -0.0004696000000000, -0.0007345200000000, -0.0000802000000000 ] - [ -0.0633122700000000, -0.0024609600000000, -0.0386933100000000 ] - [ 0.0037093500000000, -0.0009127700000000, -0.0013967400000000 ] - [ 0.0002608500000000, -0.0002103700000000, 0.0001240500000000 ] - [ -0.0000974600000000, 0.0000820300000000, -0.0005332600000000 ] - [ -0.0005522800000000, 0.0003051300000000, 0.0000078700000000 ] - [ -0.0001686000000000, 0.0003197400000000, -0.0001225800000000 ] - [ -0.0051898000000000, -0.0016955400000000, -0.0002040400000000 ] - [ 0.0024410600000000, -0.0011157800000000, 0.0000934300000000 ] - [ -0.0001925800000000, -0.0002209100000000, 0.0001414000000000 ] - [ -0.0000708400000000, 0.0000985600000000, -0.0004796800000000 ] - [ 0.0004962900000000, -0.0002108300000000, 0.0001201800000000 ] - [ 0.0000123700000000, 0.0001270200000000, -0.0003856200000000 ] - [ -0.0004115100000000, 0.0006824700000000, -0.0000679400000000 ] - [ -0.0008318300000000, 0.0004925900000000, -0.0001811700000000 ] - [ 0.0004151500000000, 0.0001471100000000, -0.0001479300000000 ] - [ -0.0028452900000000, 0.0017535100000000, 0.0022312900000000 ] - [ -0.0000200800000000, -0.0000616200000000, -0.0002679400000000 ] - [ -0.0008112700000000, 0.0002600600000000, 0.0000384700000000 ] - [ 0.0000543300000000, 0.0003140600000000, 0.0006300400000000 ] - [ -0.0001807500000000, -0.0000345900000000, 0.0002020700000000 ] - [ -0.0000957800000000, 0.0001846600000000, 0.0004293500000000 ] - [ -0.0001940100000000, -0.0004252400000000, 0.0002406400000000 ] - [ 0.0959179800000000, 0.0070313700000000, 0.0328069800000000 ] - [ -0.0060795700000000, -0.0007936100000000, -0.0018126600000000 ] - [ 0.0000369300000000, 0.0000438400000000, -0.0001353000000000 ] - [ 0.0021230800000000, -0.0004408500000000, 0.0016113300000000 ] - [ -0.0002306100000000, -0.0001614500000000, 0.0000161600000000 ] - [ -0.0012067100000000, -0.0002678200000000, 0.0004767500000000 ] - [ 0.0000097600000000, -0.0004435300000000, 0.0002443300000000 ] - [ 0.0006323600000000, 0.0011135600000000, -0.0002027300000000 ] - [ -0.0118276100000000, 0.0019195300000000, -0.0039845300000000 ] - [ -0.0011658000000000, 0.0011800400000000, -0.0019345200000000 ] - [ -0.0000251800000000, 0.0000338000000000, -0.0005017400000000 ] - [ 0.0001567700000000, 0.0001595200000000, 0.0000461500000000 ] - [ -0.0002701800000000, 0.0001373800000000, -0.0003214400000000 ] - [ 0.0000317000000000, 0.0000244000000000, 0.0001948800000000 ] - [ -0.0006080500000000, -0.0000873900000000, 0.0001734400000000 ] - [ 0.0003243100000000, 0.0000667500000000, -0.0000901200000000 ] - [ -0.0013827600000000, -0.0024631900000000, -0.0049660400000000 ] - [ 0.0001764600000000, -0.0000019000000000, -0.0000479600000000 ] - [ 0.0004175900000000, 0.0001486700000000, -0.0000081300000000 ] - [ 0.0001035400000000, 0.0002042800000000, -0.0000487300000000 ] - [ -0.0000147400000000, -0.0008344300000000, -0.0003246200000000 ] - [ 0.0001333700000000, 0.0005004000000000, 0.0001346900000000 ] - [ 0.0000640300000000, 0.0002693900000000, -0.0000198400000000 ] - [ -0.0043388600000000, -0.0015584400000000, 0.0012736800000000 ] - [ 0.0002776900000000, 0.0000819000000000, 0.0001821000000000 ] - [ 0.0000228500000000, 0.0000637200000000, -0.0001071700000000 ] - [ -0.0001147600000000, 0.0000066100000000, -0.0001881100000000 ] - [ 0.0002634000000000, -0.0001628600000000, 0.0001572400000000 ] - [ -0.0000049400000000, 0.0004445300000000, 0.0003446200000000 ] - [ -0.0000666400000000, 0.0000234200000000, 0.0002959800000000 ] - [ -0.0001303000000000, 0.0002418400000000, 0.0003625400000000 ] - [ -0.0001863000000000, -0.0003919600000000, 0.0001584300000000 ] - [ 0.0003727800000000, -0.0001821300000000, 0.0000026300000000 ] - [ 0.0001038700000000, -0.0001691600000000, -0.0000255800000000 ] - [ 0.0004119500000000, 0.0003246700000000, -0.0001854400000000 ] - [ -0.0002227700000000, 0.0000032200000000, 0.0002699500000000 ] - [ -0.0001111500000000, -0.0002209900000000, 0.0000152200000000 ] - [ 0.0001674000000000, 0.0002009200000000, 0.0000860400000000 ] - [ -0.0006092100000000, 0.0002943800000000, 0.0006201600000000 ] - [ 0.0000162500000000, -0.0002178400000000, 0.0000792900000000 ] - [ 0.0002306400000000, -0.0000403800000000, -0.0000692900000000 ] - [ -0.0002668700000000, -0.0001480600000000, -0.0002320200000000 ] - [ 0.0002379400000000, -0.0002192900000000, -0.0001201400000000 ] - [ 0.0002719800000000, 0.0001706700000000, -0.0001390500000000 ] - [ -0.0002891600000000, 0.0001530200000000, -0.0002231200000000 ] - [ 0.0000183700000000, -0.0000148500000000, -0.0000138300000000 ] - [ -0.0000841900000000, -0.0000637900000000, -0.0000689800000000 ] - [ -0.0003980500000000, 0.0002299800000000, -0.0000591600000000 ] - [ -0.0001995900000000, 0.0000361400000000, -0.0001280000000000 ] - [ 0.0002802600000000, -0.0000092100000000, -0.0002141700000000 ] - [ 0.0006388700000000, 0.0001242200000000, 0.0002139900000000 ] - [ 0.0000170000000000, 0.0003655600000000, -0.0002232100000000 ] - [ 0.0001255900000000, -0.0001041800000000, 0.0000448300000000 ] - [ -0.0001587500000000, 0.0003422800000000, 0.0001172700000000 ] - [ -0.0000033100000000, 0.0002593700000000, 0.0000072300000000 ] - [ -0.0000998700000000, -0.0003577600000000, 0.0003467500000000 ] - [ 0.0001981900000000, 0.0000410700000000, 0.0001698900000000 ]- atom: 48 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001602400000000, -0.0003011200000000, 0.0000909600000000 ] - [ 0.0000679300000000, -0.0003762100000000, 0.0000803200000000 ] - [ -0.0000500900000000, -0.0003485400000000, 0.0002651800000000 ] - [ -0.0013683700000000, 0.0039840300000000, 0.0026331700000000 ] - [ -0.0001826000000000, 0.0003482700000000, 0.0000792400000000 ] - [ 0.0000150800000000, -0.0000405800000000, -0.0002126400000000 ] - [ 0.0001602900000000, 0.0004576200000000, -0.0005813000000000 ] - [ 0.0000241300000000, 0.0002976300000000, 0.0000704600000000 ] - [ -0.0001860100000000, 0.0039217300000000, 0.0015739400000000 ] - [ 0.0000080000000000, -0.0002699500000000, -0.0001025800000000 ] - [ -0.0000733900000000, -0.0002440100000000, 0.0001121400000000 ] - [ -0.0000229200000000, 0.0000810300000000, -0.0000717600000000 ] - [ -0.0000907200000000, 0.0000830400000000, 0.0001243000000000 ] - [ -0.0002936700000000, 0.0000016300000000, 0.0000473600000000 ] - [ -0.0000225100000000, -0.0001817800000000, -0.0002085100000000 ] - [ -0.0000375500000000, 0.0000510000000000, 0.0001271300000000 ] - [ 0.0045173500000000, 0.0038013300000000, -0.0067588100000000 ] - [ 0.0001071500000000, 0.0000055800000000, 0.0000703200000000 ] - [ 0.0000371300000000, -0.0003015200000000, -0.0002156100000000 ] - [ 0.0001079400000000, 0.0008511300000000, -0.0008268900000000 ] - [ 0.0000638200000000, -0.0001783600000000, -0.0001760400000000 ] - [ -0.0000289600000000, 0.0001526700000000, 0.0000237900000000 ] - [ 0.0000855600000000, 0.0001542100000000, -0.0003597900000000 ] - [ 0.0000833300000000, -0.0005130300000000, 0.0001137300000000 ] - [ -0.0003426800000000, -0.0009283500000000, -0.0000027000000000 ] - [ 0.0012993100000000, 0.0128285300000000, 0.0008658300000000 ] - [ -0.0019465900000000, 0.0004160400000000, 0.0007817700000000 ] - [ 0.0003390400000000, -0.0002151200000000, -0.0000908200000000 ] - [ -0.0001021300000000, 0.0002962500000000, -0.0003702800000000 ] - [ -0.0006689300000000, 0.0006294100000000, -0.0007959000000000 ] - [ -0.0002609400000000, 0.0001747100000000, -0.0000168300000000 ] - [ -0.0023427400000000, -0.0005677900000000, -0.0010048300000000 ] - [ 0.0005182500000000, -0.0015033000000000, 0.0009124100000000 ] - [ -0.0002697600000000, -0.0004657000000000, -0.0003570500000000 ] - [ -0.0000798200000000, -0.0006783300000000, -0.0002700500000000 ] - [ 0.0003144100000000, -0.0003277100000000, 0.0001988800000000 ] - [ -0.0001206300000000, -0.0000122800000000, -0.0004609300000000 ] - [ -0.0004233400000000, 0.0005795300000000, -0.0001186100000000 ] - [ -0.0000441700000000, 0.0005720200000000, -0.0003772200000000 ] - [ 0.0003575600000000, 0.0000945200000000, 0.0000554900000000 ] - [ -0.0011700600000000, 0.0007091400000000, 0.0008744900000000 ] - [ -0.0001012000000000, 0.0000642700000000, -0.0001553400000000 ] - [ 0.0005329700000000, -0.0000965500000000, 0.0002051800000000 ] - [ 0.0000036000000000, 0.0004362700000000, 0.0002356000000000 ] - [ -0.0001397400000000, 0.0000659900000000, 0.0002799100000000 ] - [ -0.0000720600000000, 0.0002275000000000, 0.0003318500000000 ] - [ -0.0001702200000000, -0.0004412900000000, 0.0001799600000000 ] - [ -0.0066147300000000, -0.0283542800000000, 0.0006399800000000 ] - [ 0.0006459400000000, -0.0002621400000000, 0.0001436600000000 ] - [ 0.0001060200000000, 0.0001316500000000, -0.0001275800000000 ] - [ -0.0004449700000000, 0.0000358000000000, -0.0013515600000000 ] - [ -0.0002176900000000, -0.0000185800000000, -0.0000439400000000 ] - [ 0.0007907700000000, 0.0003806300000000, -0.0004798700000000 ] - [ 0.0000079500000000, -0.0004207400000000, 0.0002426800000000 ] - [ -0.0009420100000000, 0.0005845000000000, -0.0012878200000000 ] - [ 0.0012471800000000, -0.0020761700000000, 0.0001482400000000 ] - [ -0.0014729400000000, 0.0002065900000000, -0.0010378300000000 ] - [ 0.0001125300000000, -0.0000918500000000, -0.0004973500000000 ] - [ 0.0001262400000000, 0.0002708700000000, 0.0000258300000000 ] - [ -0.0002887700000000, 0.0002272400000000, -0.0001777700000000 ] - [ 0.0000515300000000, -0.0000957600000000, -0.0001690400000000 ] - [ -0.0000710600000000, -0.0001974200000000, -0.0002181900000000 ] - [ 0.0001242100000000, 0.0002407200000000, -0.0001392400000000 ] - [ 0.0058652200000000, 0.0017146000000000, 0.0069997400000000 ] - [ 0.0001863800000000, 0.0000283400000000, -0.0000387400000000 ] - [ 0.0004249400000000, 0.0002042600000000, 0.0000179600000000 ] - [ 0.0000946000000000, 0.0002298800000000, -0.0000666300000000 ] - [ -0.0013557200000000, -0.0001850800000000, -0.0001167200000000 ] - [ -0.0000173600000000, 0.0004918800000000, 0.0001682800000000 ] - [ 0.0000353200000000, 0.0002979400000000, 0.0000662900000000 ] - [ 0.0028583600000000, 0.0008952800000000, -0.0003332200000000 ] - [ 0.0001993500000000, 0.0000263000000000, 0.0002229500000000 ] - [ 0.0000583800000000, 0.0001643300000000, -0.0001667200000000 ] - [ -0.0000521200000000, -0.0000450200000000, -0.0001596400000000 ] - [ 0.0001883500000000, 0.0002507300000000, 0.0001823500000000 ] - [ 0.0000043400000000, 0.0004361400000000, 0.0003391600000000 ] - [ -0.0001672400000000, 0.0000442200000000, 0.0002527800000000 ] - [ -0.0000967100000000, 0.0003119500000000, 0.0003621200000000 ] - [ -0.0002255100000000, -0.0003544200000000, 0.0001294100000000 ] - [ 0.0004584100000000, -0.0000601800000000, 0.0000428600000000 ] - [ 0.0000781600000000, -0.0000936400000000, -0.0000581700000000 ] - [ -0.0002040500000000, 0.0004771300000000, -0.0009536600000000 ] - [ -0.0001490300000000, 0.0000562800000000, 0.0002457700000000 ] - [ -0.0002301300000000, -0.0002190900000000, 0.0000988800000000 ] - [ 0.0001649600000000, 0.0002628900000000, 0.0000530600000000 ] - [ 0.0001740000000000, -0.0004912100000000, 0.0002585700000000 ] - [ 0.0000060500000000, -0.0001163300000000, 0.0000893500000000 ] - [ 0.0001391700000000, 0.0001163200000000, -0.0000200100000000 ] - [ -0.0003021100000000, -0.0000822200000000, -0.0002462500000000 ] - [ 0.0002168300000000, -0.0001467500000000, -0.0001352000000000 ] - [ 0.0002256700000000, 0.0000912700000000, -0.0000252300000000 ] - [ -0.0002939100000000, 0.0001993900000000, -0.0002217600000000 ] - [ 0.0000487500000000, 0.0000378300000000, 0.0000002200000000 ] - [ -0.0000828800000000, -0.0000314600000000, -0.0002959500000000 ] - [ 0.0001372200000000, 0.0001604900000000, -0.0002940700000000 ] - [ -0.0002112500000000, 0.0003615800000000, 0.0001732100000000 ] - [ 0.0000773100000000, -0.0000854400000000, 0.0001643400000000 ] - [ 0.0003996400000000, 0.0000581200000000, 0.0001002100000000 ] - [ 0.0001189000000000, 0.0001114000000000, -0.0000331200000000 ] - [ 0.0001623900000000, 0.0000073100000000, 0.0000385800000000 ] - [ -0.0002275100000000, 0.0005243500000000, 0.0002051000000000 ] - [ 0.0000210800000000, 0.0003587600000000, -0.0000447800000000 ] - [ -0.0000356800000000, -0.0000019600000000, 0.0003444600000000 ] - [ 0.0002764200000000, 0.0001392200000000, 0.0001851200000000 ]- atom: 48 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000506600000000, -0.0000455700000000, 0.0001955500000000 ] - [ -0.0001353000000000, 0.0000548000000000, -0.0002045900000000 ] - [ 0.0000147900000000, 0.0000727600000000, -0.0000129900000000 ] - [ 0.0013310100000000, -0.0037325300000000, -0.0028491600000000 ] - [ -0.0000289200000000, -0.0000039800000000, 0.0002082900000000 ] - [ -0.0000246800000000, 0.0002316800000000, -0.0001856200000000 ] - [ -0.0001689700000000, -0.0006496200000000, 0.0001842100000000 ] - [ -0.0000599000000000, -0.0000220900000000, 0.0001806200000000 ] - [ -0.0000537800000000, -0.0040715900000000, -0.0012432000000000 ] - [ -0.0000738600000000, -0.0000512700000000, -0.0000207500000000 ] - [ 0.0000369100000000, -0.0000306200000000, 0.0001395700000000 ] - [ -0.0000430100000000, 0.0002399000000000, -0.0000511000000000 ] - [ -0.0001199800000000, 0.0002630800000000, 0.0001620800000000 ] - [ 0.0002816500000000, 0.0001899200000000, -0.0004463800000000 ] - [ 0.0000128200000000, -0.0000102100000000, -0.0001897400000000 ] - [ 0.0000012900000000, 0.0002231100000000, 0.0001243000000000 ] - [ -0.0043859600000000, -0.0034710300000000, 0.0063985200000000 ] - [ -0.0000372700000000, 0.0003387100000000, 0.0001790400000000 ] - [ 0.0001343900000000, 0.0000563500000000, -0.0001354200000000 ] - [ -0.0000264300000000, -0.0011961400000000, 0.0010638400000000 ] - [ 0.0001075200000000, 0.0004240500000000, -0.0001749300000000 ] - [ 0.0001006400000000, 0.0001916300000000, 0.0002261400000000 ] - [ 0.0000819200000000, -0.0003922400000000, 0.0000081600000000 ] - [ -0.0000135600000000, 0.0001669100000000, 0.0001356200000000 ] - [ -0.0004931400000000, -0.0004567500000000, -0.0001655100000000 ] - [ -0.0020938500000000, -0.0134658200000000, -0.0013931100000000 ] - [ 0.0017840900000000, -0.0006393200000000, -0.0015868100000000 ] - [ 0.0004206100000000, -0.0001884000000000, 0.0002414500000000 ] - [ -0.0000418000000000, -0.0000831700000000, -0.0004313200000000 ] - [ -0.0001705000000000, 0.0007373400000000, 0.0006258400000000 ] - [ -0.0002448600000000, 0.0004375900000000, -0.0002471900000000 ] - [ 0.0031107700000000, 0.0009567100000000, 0.0011631700000000 ] - [ -0.0013530300000000, 0.0001226600000000, -0.0010764700000000 ] - [ -0.0002359400000000, -0.0001469500000000, 0.0000924300000000 ] - [ -0.0000637600000000, 0.0004640300000000, -0.0005315800000000 ] - [ 0.0004451000000000, -0.0000756300000000, -0.0000472000000000 ] - [ -0.0000235200000000, 0.0002258300000000, -0.0003407700000000 ] - [ -0.0004111500000000, 0.0008047400000000, -0.0000487300000000 ] - [ -0.0004592100000000, 0.0000393000000000, 0.0001143800000000 ] - [ 0.0004027600000000, 0.0003088700000000, 0.0000972000000000 ] - [ 0.0013125900000000, -0.0007644800000000, -0.0011427300000000 ] - [ -0.0001004900000000, 0.0000213600000000, -0.0001597500000000 ] - [ -0.0000562800000000, 0.0000222100000000, 0.0001444800000000 ] - [ -0.0000027200000000, 0.0004408900000000, 0.0004144000000000 ] - [ -0.0001760700000000, -0.0000300800000000, 0.0002140000000000 ] - [ -0.0000910900000000, 0.0002400000000000, 0.0003702800000000 ] - [ -0.0001835900000000, -0.0003729100000000, 0.0001560700000000 ] - [ 0.0078038700000000, 0.0279794000000000, -0.0003700600000000 ] - [ -0.0004937200000000, -0.0001327600000000, -0.0002431200000000 ] - [ 0.0000341700000000, -0.0000814900000000, -0.0001437200000000 ] - [ 0.0001257300000000, -0.0000627200000000, 0.0018499000000000 ] - [ -0.0002151700000000, -0.0002496700000000, 0.0000743100000000 ] - [ -0.0006989200000000, -0.0003099900000000, 0.0004817000000000 ] - [ -0.0000074800000000, -0.0004618100000000, 0.0004049700000000 ] - [ 0.0009848500000000, -0.0011371800000000, 0.0013398300000000 ] - [ -0.0009158600000000, 0.0020890600000000, -0.0002354200000000 ] - [ 0.0008690000000000, -0.0005261700000000, 0.0005522000000000 ] - [ 0.0003476300000000, -0.0003377300000000, 0.0002544600000000 ] - [ 0.0001656300000000, 0.0000651900000000, 0.0000295600000000 ] - [ -0.0003107700000000, 0.0000926400000000, -0.0003123000000000 ] - [ 0.0000388700000000, 0.0000199800000000, 0.0001677600000000 ] - [ -0.0001285100000000, 0.0001105400000000, -0.0000989000000000 ] - [ 0.0003416000000000, 0.0001928300000000, -0.0000899700000000 ] - [ -0.0062640400000000, -0.0014347900000000, -0.0069158600000000 ] - [ 0.0001708500000000, -0.0000417100000000, -0.0000532600000000 ] - [ 0.0004298500000000, 0.0000973300000000, 0.0000270900000000 ] - [ 0.0000917100000000, 0.0001602500000000, -0.0000534100000000 ] - [ 0.0016367300000000, -0.0001518300000000, 0.0001744800000000 ] - [ -0.0003342100000000, 0.0003216100000000, 0.0001683100000000 ] - [ -0.0000201200000000, 0.0002262700000000, -0.0000385600000000 ] - [ -0.0030251900000000, -0.0013743400000000, 0.0010348600000000 ] - [ 0.0002724000000000, 0.0000445200000000, 0.0001256100000000 ] - [ 0.0000819500000000, -0.0002148000000000, -0.0001047400000000 ] - [ -0.0001501500000000, 0.0001317000000000, -0.0001545900000000 ] - [ 0.0002833400000000, -0.0003224900000000, 0.0001663800000000 ] - [ -0.0000038100000000, 0.0004456400000000, 0.0003075500000000 ] - [ -0.0001484500000000, -0.0000090200000000, 0.0002406700000000 ] - [ -0.0000654800000000, 0.0001557100000000, 0.0003402100000000 ] - [ -0.0001279400000000, -0.0004593900000000, 0.0002046000000000 ] - [ 0.0003968600000000, -0.0002422100000000, 0.0000023300000000 ] - [ 0.0001081900000000, -0.0002977200000000, -0.0000623300000000 ] - [ 0.0003437300000000, -0.0004285900000000, 0.0006827300000000 ] - [ -0.0001664400000000, -0.0000930000000000, 0.0002478300000000 ] - [ -0.0002032100000000, -0.0000485900000000, -0.0000691600000000 ] - [ -0.0000741300000000, -0.0001898100000000, -0.0000534200000000 ] - [ -0.0001590500000000, -0.0004084000000000, 0.0003839400000000 ] - [ 0.0000097300000000, -0.0004087700000000, -0.0000624200000000 ] - [ 0.0002179800000000, -0.0001036800000000, -0.0000720800000000 ] - [ -0.0002980700000000, -0.0002382200000000, -0.0002442500000000 ] - [ 0.0002460800000000, -0.0002836100000000, -0.0000955300000000 ] - [ 0.0000667000000000, 0.0002473200000000, 0.0000812000000000 ] - [ -0.0003062100000000, 0.0001200500000000, -0.0002686100000000 ] - [ 0.0000416500000000, -0.0001132800000000, -0.0000011700000000 ] - [ -0.0001187400000000, -0.0000554900000000, -0.0000192200000000 ] - [ 0.0003267300000000, 0.0002683800000000, 0.0000646000000000 ] - [ -0.0002215400000000, -0.0000941600000000, -0.0001427100000000 ] - [ 0.0002794000000000, 0.0000718000000000, -0.0002574200000000 ] - [ 0.0004533700000000, 0.0002416600000000, -0.0000548900000000 ] - [ 0.0000679500000000, 0.0002826700000000, -0.0000867400000000 ] - [ 0.0001291400000000, -0.0003449000000000, 0.0000171000000000 ] - [ -0.0001262800000000, 0.0002894200000000, 0.0001310000000000 ] - [ -0.0000055600000000, 0.0001648000000000, 0.0000725600000000 ] - [ -0.0001271300000000, -0.0004662800000000, 0.0003579600000000 ] - [ 0.0001949300000000, -0.0000681900000000, 0.0001635500000000 ]- atom: 48 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0001110300000000, -0.0001957100000000, 0.0001629400000000 ] - [ -0.0000554300000000, -0.0000831900000000, -0.0000237300000000 ] - [ 0.0000638000000000, 0.0001343500000000, 0.0001356800000000 ] - [ -0.0011185600000000, 0.0027358700000000, 0.0018140600000000 ] - [ -0.0000405800000000, 0.0002846600000000, -0.0002262900000000 ] - [ -0.0000030000000000, 0.0000876300000000, -0.0001856400000000 ] - [ -0.0000840600000000, -0.0002722800000000, -0.0004901700000000 ] - [ 0.0000186200000000, 0.0000515200000000, -0.0000207500000000 ] - [ -0.0004218700000000, 0.0014231900000000, 0.0007636600000000 ] - [ -0.0000369000000000, -0.0001918800000000, -0.0000857000000000 ] - [ -0.0000069500000000, -0.0001392700000000, 0.0000720200000000 ] - [ -0.0000401700000000, 0.0001659900000000, -0.0000437400000000 ] - [ -0.0001074300000000, 0.0001704800000000, 0.0001284100000000 ] - [ 0.0000901000000000, 0.0004616200000000, -0.0000331100000000 ] - [ -0.0000016000000000, -0.0001031600000000, -0.0002136600000000 ] - [ -0.0000139200000000, 0.0001496800000000, 0.0001379600000000 ] - [ -0.0168682900000000, -0.0090014400000000, 0.0266292000000000 ] - [ 0.0000596600000000, 0.0001154900000000, 0.0000615600000000 ] - [ 0.0001121700000000, -0.0000278600000000, -0.0002258000000000 ] - [ 0.0008810100000000, -0.0010872900000000, 0.0044966800000000 ] - [ 0.0000875500000000, 0.0001239800000000, -0.0001658000000000 ] - [ -0.0000773700000000, 0.0001709300000000, 0.0001060400000000 ] - [ 0.0003580400000000, 0.0002513400000000, -0.0002462900000000 ] - [ 0.0000295200000000, -0.0001950000000000, 0.0001159500000000 ] - [ -0.0003826400000000, -0.0006614500000000, -0.0000565700000000 ] - [ 0.0204540700000000, 0.0010081400000000, 0.0321513700000000 ] - [ 0.0011383900000000, -0.0000320700000000, -0.0004813000000000 ] - [ 0.0002624800000000, -0.0001950200000000, 0.0000458700000000 ] - [ 0.0001505800000000, 0.0000731900000000, -0.0006346000000000 ] - [ -0.0007215400000000, -0.0000822700000000, 0.0000449300000000 ] - [ -0.0002708900000000, 0.0002936200000000, -0.0001525900000000 ] - [ 0.0010251700000000, 0.0016856600000000, 0.0032380500000000 ] - [ 0.0019595700000000, -0.0015869700000000, 0.0015039500000000 ] - [ -0.0002481900000000, -0.0003155400000000, -0.0001229900000000 ] - [ -0.0001148900000000, -0.0002241400000000, -0.0004275600000000 ] - [ 0.0004795100000000, -0.0002134200000000, 0.0000226200000000 ] - [ -0.0000299600000000, 0.0001146600000000, -0.0004689200000000 ] - [ -0.0004231600000000, 0.0006843900000000, -0.0000998500000000 ] - [ -0.0003821400000000, 0.0005799100000000, -0.0002084000000000 ] - [ 0.0003965700000000, 0.0001787100000000, -0.0000249100000000 ] - [ -0.0028542300000000, 0.0019190400000000, 0.0018767900000000 ] - [ -0.0002330800000000, 0.0000528200000000, -0.0001898200000000 ] - [ -0.0005534500000000, 0.0002136800000000, -0.0001506100000000 ] - [ 0.0001387400000000, 0.0003228400000000, 0.0006275600000000 ] - [ -0.0001304100000000, -0.0000117800000000, 0.0002647200000000 ] - [ -0.0001321000000000, 0.0001687500000000, 0.0004876500000000 ] - [ -0.0002139500000000, -0.0004740300000000, 0.0002790500000000 ] - [ 0.0004663900000000, 0.0029717400000000, -0.0681873700000000 ] - [ -0.0002771000000000, -0.0004192200000000, -0.0018173100000000 ] - [ 0.0000648800000000, 0.0000603600000000, -0.0001174800000000 ] - [ 0.0019987400000000, -0.0019367900000000, 0.0032269700000000 ] - [ -0.0002066600000000, -0.0001249000000000, 0.0000290300000000 ] - [ -0.0002845500000000, 0.0001972800000000, -0.0000865400000000 ] - [ -0.0000014300000000, -0.0004348400000000, 0.0003580400000000 ] - [ 0.0001586900000000, -0.0010337600000000, -0.0009118800000000 ] - [ -0.0081829500000000, 0.0007518400000000, -0.0058974400000000 ] - [ 0.0007925600000000, -0.0004644000000000, -0.0003676600000000 ] - [ 0.0002075100000000, -0.0002378400000000, -0.0005493700000000 ] - [ 0.0001400400000000, 0.0001846100000000, 0.0000283100000000 ] - [ -0.0002161700000000, 0.0002866900000000, -0.0001705800000000 ] - [ -0.0001171300000000, -0.0000217400000000, 0.0003741500000000 ] - [ -0.0003014700000000, 0.0000203600000000, -0.0000501000000000 ] - [ 0.0001980000000000, 0.0002174500000000, -0.0001658200000000 ] - [ 0.0040558000000000, 0.0024440300000000, 0.0016232800000000 ] - [ 0.0001845700000000, 0.0000057600000000, -0.0000247800000000 ] - [ 0.0004534200000000, 0.0001538400000000, 0.0000301300000000 ] - [ 0.0000990600000000, 0.0001805000000000, -0.0000492800000000 ] - [ -0.0009542800000000, -0.0004957900000000, -0.0008111600000000 ] - [ 0.0002315400000000, 0.0003891100000000, -0.0001383900000000 ] - [ 0.0000465000000000, 0.0003171400000000, 0.0000630400000000 ] - [ -0.0013710800000000, -0.0015784600000000, 0.0003587700000000 ] - [ 0.0001260700000000, 0.0001045400000000, 0.0003132700000000 ] - [ 0.0000829400000000, -0.0000637000000000, -0.0001489000000000 ] - [ -0.0000526600000000, 0.0000450400000000, -0.0001737000000000 ] - [ 0.0002192700000000, 0.0000289400000000, 0.0001834400000000 ] - [ -0.0000108000000000, 0.0004512300000000, 0.0003136400000000 ] - [ -0.0002443500000000, -0.0000297700000000, 0.0003119900000000 ] - [ -0.0001420700000000, 0.0003013500000000, 0.0003584100000000 ] - [ -0.0001097100000000, -0.0004703300000000, 0.0000685100000000 ] - [ 0.0004286300000000, -0.0001416300000000, 0.0000122700000000 ] - [ 0.0000833100000000, -0.0002037800000000, -0.0000703000000000 ] - [ 0.0004572200000000, -0.0014159800000000, 0.0014305100000000 ] - [ -0.0001561600000000, -0.0000154900000000, 0.0002559600000000 ] - [ -0.0001777000000000, -0.0002243500000000, 0.0000821500000000 ] - [ 0.0001236300000000, 0.0000580600000000, -0.0000014900000000 ] - [ -0.0004029800000000, 0.0009447800000000, 0.0000564000000000 ] - [ 0.0000047900000000, -0.0001886700000000, 0.0001168400000000 ] - [ 0.0001783000000000, 0.0000222100000000, -0.0000600000000000 ] - [ -0.0002976900000000, -0.0001491700000000, -0.0002355900000000 ] - [ 0.0002324800000000, -0.0002028600000000, -0.0001121500000000 ] - [ 0.0002615900000000, 0.0001562300000000, -0.0001846200000000 ] - [ -0.0002910700000000, 0.0001707400000000, -0.0001829500000000 ] - [ 0.0000315100000000, -0.0000558500000000, 0.0000380500000000 ] - [ -0.0001070200000000, -0.0000409100000000, -0.0001649700000000 ] - [ -0.0000754700000000, 0.0002480900000000, -0.0005397400000000 ] - [ -0.0002114700000000, 0.0001839700000000, 0.0000464500000000 ] - [ 0.0001019200000000, -0.0000620400000000, -0.0000116600000000 ] - [ 0.0003174000000000, 0.0000677800000000, 0.0003877900000000 ] - [ 0.0003060100000000, 0.0002343200000000, 0.0001827700000000 ] - [ 0.0001414000000000, -0.0001911600000000, 0.0000269000000000 ] - [ -0.0001818200000000, 0.0004166400000000, 0.0001793800000000 ] - [ 0.0000003100000000, 0.0002529200000000, 0.0000480100000000 ] - [ -0.0000729600000000, -0.0002167600000000, 0.0003522800000000 ] - [ 0.0002244900000000, 0.0000242600000000, 0.0001866000000000 ]- atom: 48 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0000997400000000, -0.0001507200000000, 0.0001232500000000 ] - [ -0.0000110700000000, -0.0002377400000000, -0.0000984900000000 ] - [ -0.0000993200000000, -0.0004071600000000, 0.0001168200000000 ] - [ 0.0010673200000000, -0.0024971600000000, -0.0019856700000000 ] - [ -0.0001691100000000, 0.0000612300000000, 0.0005157000000000 ] - [ -0.0000065300000000, 0.0001040600000000, -0.0002131400000000 ] - [ 0.0000725900000000, 0.0000770200000000, 0.0000943100000000 ] - [ -0.0000528000000000, 0.0002208800000000, 0.0002712900000000 ] - [ 0.0002112200000000, -0.0017780400000000, -0.0004919800000000 ] - [ -0.0000291400000000, -0.0001291500000000, -0.0000368300000000 ] - [ -0.0000294900000000, -0.0001352500000000, 0.0001798500000000 ] - [ -0.0000257800000000, 0.0001553400000000, -0.0000794800000000 ] - [ -0.0001031300000000, 0.0001761700000000, 0.0001583400000000 ] - [ -0.0001007300000000, -0.0002692300000000, -0.0003660800000000 ] - [ -0.0000081300000000, -0.0000883700000000, -0.0001843600000000 ] - [ -0.0000222300000000, 0.0001246600000000, 0.0001131500000000 ] - [ 0.0161627000000000, 0.0087889400000000, -0.0261420800000000 ] - [ 0.0000102200000000, 0.0002308800000000, 0.0001882900000000 ] - [ 0.0000587900000000, -0.0002147900000000, -0.0001255500000000 ] - [ -0.0008158500000000, 0.0007401900000000, -0.0042418600000000 ] - [ 0.0000840400000000, 0.0001226300000000, -0.0001854500000000 ] - [ 0.0001491700000000, 0.0001741600000000, 0.0001430100000000 ] - [ -0.0001884400000000, -0.0004985700000000, -0.0001067500000000 ] - [ 0.0000400300000000, -0.0001506500000000, 0.0001330000000000 ] - [ -0.0004521100000000, -0.0007225900000000, -0.0001104600000000 ] - [ -0.0208245200000000, -0.0016557500000000, -0.0324971900000000 ] - [ -0.0012814000000000, -0.0001824400000000, -0.0003189400000000 ] - [ 0.0004988800000000, -0.0002090500000000, 0.0001079600000000 ] - [ -0.0002935100000000, 0.0001398300000000, -0.0001680300000000 ] - [ -0.0001137000000000, 0.0014805400000000, -0.0002137700000000 ] - [ -0.0002352400000000, 0.0003200300000000, -0.0001128400000000 ] - [ -0.0002441300000000, -0.0012908500000000, -0.0030581800000000 ] - [ -0.0027962400000000, 0.0002031400000000, -0.0016560000000000 ] - [ -0.0002573500000000, -0.0002975400000000, -0.0001429400000000 ] - [ -0.0000298600000000, 0.0000120200000000, -0.0003762800000000 ] - [ 0.0002790300000000, -0.0001911100000000, 0.0001302200000000 ] - [ -0.0001138100000000, 0.0000990900000000, -0.0003326100000000 ] - [ -0.0004112500000000, 0.0007003600000000, -0.0000670600000000 ] - [ -0.0001256600000000, 0.0000331500000000, -0.0000563900000000 ] - [ 0.0003636600000000, 0.0002258700000000, 0.0001785200000000 ] - [ 0.0029660300000000, -0.0019311700000000, -0.0021235900000000 ] - [ 0.0000320100000000, 0.0000335400000000, -0.0001255500000000 ] - [ 0.0010252000000000, -0.0002857500000000, 0.0004975200000000 ] - [ -0.0001397200000000, 0.0005611400000000, 0.0000158800000000 ] - [ -0.0001849900000000, 0.0000482800000000, 0.0002296900000000 ] - [ -0.0000298500000000, 0.0002980700000000, 0.0002143400000000 ] - [ -0.0001399500000000, -0.0003408800000000, 0.0000572900000000 ] - [ 0.0010036900000000, -0.0027281900000000, 0.0674437400000000 ] - [ 0.0004953100000000, 0.0000451500000000, 0.0017096600000000 ] - [ 0.0000761900000000, -0.0000111200000000, -0.0001532400000000 ] - [ -0.0022801200000000, 0.0018685800000000, -0.0026639400000000 ] - [ -0.0002261900000000, -0.0001449800000000, 0.0000019100000000 ] - [ 0.0003748600000000, -0.0001270500000000, 0.0000870600000000 ] - [ 0.0000019200000000, -0.0004469100000000, 0.0002881100000000 ] - [ -0.0001433000000000, 0.0005099200000000, 0.0009327500000000 ] - [ 0.0085507200000000, -0.0007482100000000, 0.0058110900000000 ] - [ -0.0013893600000000, 0.0001375100000000, -0.0001119300000000 ] - [ 0.0002619300000000, -0.0001929400000000, 0.0003282800000000 ] - [ 0.0001512400000000, 0.0001507500000000, 0.0000272600000000 ] - [ -0.0003848600000000, 0.0000317700000000, -0.0003198300000000 ] - [ 0.0002088500000000, -0.0000528400000000, -0.0003736000000000 ] - [ 0.0001008000000000, -0.0001121600000000, -0.0002634300000000 ] - [ 0.0002648900000000, 0.0002130500000000, -0.0000651500000000 ] - [ -0.0044492100000000, -0.0021475800000000, -0.0016095000000000 ] - [ 0.0001722900000000, -0.0000193500000000, -0.0000684600000000 ] - [ 0.0004016400000000, 0.0001474600000000, 0.0000140200000000 ] - [ 0.0000870700000000, 0.0002108500000000, -0.0000713900000000 ] - [ 0.0012443500000000, 0.0001617000000000, 0.0008672000000000 ] - [ -0.0005681900000000, 0.0004309000000000, 0.0004580000000000 ] - [ -0.0000314500000000, 0.0002083200000000, -0.0000367200000000 ] - [ 0.0012008800000000, 0.0011079500000000, 0.0003401300000000 ] - [ 0.0003458900000000, -0.0000336600000000, 0.0000344000000000 ] - [ 0.0000581100000000, 0.0000138000000000, -0.0001216000000000 ] - [ -0.0001499200000000, 0.0000423400000000, -0.0001400000000000 ] - [ 0.0002520600000000, -0.0001010200000000, 0.0001646800000000 ] - [ 0.0000111700000000, 0.0004305100000000, 0.0003328500000000 ] - [ -0.0000688800000000, 0.0000672900000000, 0.0001828100000000 ] - [ -0.0000195800000000, 0.0001654800000000, 0.0003430600000000 ] - [ -0.0002458300000000, -0.0003443000000000, 0.0002695000000000 ] - [ 0.0004265900000000, -0.0001602300000000, 0.0000321500000000 ] - [ 0.0001030600000000, -0.0001878000000000, -0.0000501200000000 ] - [ -0.0003225200000000, 0.0014863200000000, -0.0017214100000000 ] - [ -0.0001590900000000, -0.0000212900000000, 0.0002383300000000 ] - [ -0.0002560300000000, -0.0000452300000000, -0.0000512300000000 ] - [ -0.0000309800000000, 0.0000161800000000, 0.0000025400000000 ] - [ 0.0003995400000000, -0.0018310100000000, 0.0005846900000000 ] - [ 0.0000110100000000, -0.0003385400000000, -0.0000906500000000 ] - [ 0.0001783900000000, -0.0000089700000000, -0.0000330100000000 ] - [ -0.0003025400000000, -0.0001712300000000, -0.0002540900000000 ] - [ 0.0002305000000000, -0.0002285200000000, -0.0001187800000000 ] - [ 0.0000284600000000, 0.0001784800000000, 0.0002415300000000 ] - [ -0.0003080600000000, 0.0001492800000000, -0.0003066100000000 ] - [ 0.0000590700000000, -0.0000181600000000, -0.0000390400000000 ] - [ -0.0000945600000000, -0.0000462700000000, -0.0001486500000000 ] - [ 0.0005413800000000, 0.0001837700000000, 0.0003046400000000 ] - [ -0.0002212900000000, 0.0000858500000000, -0.0000149200000000 ] - [ 0.0002566500000000, 0.0000483400000000, -0.0000832600000000 ] - [ 0.0005413700000000, 0.0002324100000000, -0.0003478600000000 ] - [ -0.0001244800000000, 0.0001554100000000, -0.0003080100000000 ] - [ 0.0001497400000000, -0.0001446400000000, 0.0000288700000000 ] - [ -0.0001720500000000, 0.0003976100000000, 0.0001564000000000 ] - [ 0.0000153100000000, 0.0002731800000000, -0.0000209800000000 ] - [ -0.0000894700000000, -0.0002528100000000, 0.0003493000000000 ] - [ 0.0002469200000000, 0.0000475600000000, 0.0001615100000000 ]- atom: 49 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0000819300000000, -0.0000988500000000, 0.0001864000000000 ] - [ 0.0000505600000000, -0.0000937700000000, -0.0002695800000000 ] - [ 0.0000392500000000, -0.0001792400000000, 0.0001776000000000 ] - [ -0.0001818400000000, 0.0002539200000000, -0.0000174900000000 ] - [ -0.0001578300000000, 0.0002591800000000, 0.0001231100000000 ] - [ -0.0000146900000000, 0.0001003800000000, -0.0001894000000000 ] - [ 0.0000364000000000, -0.0001060800000000, -0.0002388200000000 ] - [ -0.0001874900000000, 0.0003902500000000, 0.0004545100000000 ] - [ -0.0004695000000000, -0.0001933600000000, 0.0000400900000000 ] - [ -0.0000120000000000, -0.0001560700000000, -0.0000587800000000 ] - [ -0.0000075600000000, -0.0000569600000000, 0.0001479700000000 ] - [ -0.0000127800000000, 0.0001863300000000, -0.0000542500000000 ] - [ -0.0000926500000000, 0.0001712400000000, 0.0001429500000000 ] - [ -0.0005038500000000, 0.0001955100000000, -0.0002743100000000 ] - [ -0.0000137800000000, -0.0000979200000000, -0.0001980000000000 ] - [ -0.0000338700000000, 0.0001406100000000, 0.0001293200000000 ] - [ 0.0104494600000000, 0.0007280700000000, 0.0091648800000000 ] - [ 0.0000030800000000, 0.0001161100000000, 0.0001594600000000 ] - [ 0.0001181600000000, -0.0001583900000000, -0.0001614300000000 ] - [ 0.0115689900000000, -0.0022423100000000, -0.0105187500000000 ] - [ 0.0000930700000000, 0.0001470400000000, -0.0001714800000000 ] - [ 0.0001323900000000, 0.0001913800000000, 0.0000916300000000 ] - [ 0.0001523100000000, -0.0001576200000000, -0.0001324100000000 ] - [ 0.0000307000000000, -0.0001509300000000, 0.0001210800000000 ] - [ -0.0004303500000000, -0.0006518100000000, -0.0000827500000000 ] - [ -0.0020145700000000, 0.0003477000000000, -0.0004401900000000 ] - [ -0.0021175900000000, 0.0000005800000000, -0.0007439400000000 ] - [ 0.0003962100000000, -0.0001785900000000, 0.0000477700000000 ] - [ -0.0000227000000000, -0.0001419900000000, -0.0004067700000000 ] - [ -0.0001865400000000, 0.0003246800000000, -0.0000124000000000 ] - [ -0.0002586000000000, 0.0003019600000000, -0.0001048500000000 ] - [ 0.0008440000000000, 0.0001051800000000, 0.0000895300000000 ] - [ 0.0026329400000000, -0.0008963900000000, 0.0014228800000000 ] - [ -0.0002247700000000, -0.0002732500000000, -0.0001001500000000 ] - [ -0.0000628500000000, -0.0000751900000000, -0.0004048700000000 ] - [ 0.0000718100000000, -0.0003277700000000, 0.0000388900000000 ] - [ -0.0000116900000000, 0.0001761100000000, -0.0003359100000000 ] - [ -0.0004360400000000, 0.0007005900000000, -0.0000753000000000 ] - [ -0.0004300800000000, 0.0005236300000000, -0.0002883100000000 ] - [ 0.0003569100000000, 0.0002033100000000, 0.0000800700000000 ] - [ -0.0005837700000000, 0.0022424500000000, 0.0015172000000000 ] - [ -0.0000737500000000, -0.0000563800000000, 0.0000148600000000 ] - [ -0.0010848300000000, -0.0010805600000000, 0.0017905200000000 ] - [ -0.0000583300000000, 0.0002238300000000, 0.0008412700000000 ] - [ -0.0001702900000000, 0.0000209600000000, 0.0002494800000000 ] - [ -0.0001002400000000, 0.0003022400000000, 0.0003590200000000 ] - [ -0.0001907300000000, -0.0004001600000000, 0.0001316200000000 ] - [ 0.0066136500000000, 0.0004192300000000, 0.0017734900000000 ] - [ -0.0354683900000000, -0.0009781000000000, 0.0002826100000000 ] - [ 0.0000602900000000, 0.0000356700000000, -0.0001243900000000 ] - [ -0.0002324300000000, -0.0000415700000000, 0.0002096000000000 ] - [ -0.0002143900000000, -0.0001350900000000, 0.0000135200000000 ] - [ 0.0002150000000000, -0.0001293000000000, 0.0000792100000000 ] - [ -0.0000026400000000, -0.0004407900000000, 0.0003370100000000 ] - [ -0.0001011900000000, -0.0001772600000000, 0.0000656400000000 ] - [ 0.0061402100000000, -0.0012429000000000, -0.0015240800000000 ] - [ -0.0005690700000000, -0.0000775300000000, -0.0000536700000000 ] - [ 0.0002772400000000, -0.0000491300000000, -0.0005411200000000 ] - [ 0.0001531000000000, 0.0001601600000000, 0.0000267500000000 ] - [ -0.0002824700000000, 0.0001484700000000, -0.0002643100000000 ] - [ 0.0000695100000000, 0.0001389100000000, 0.0000999100000000 ] - [ -0.0005493400000000, 0.0001432700000000, -0.0001542500000000 ] - [ 0.0002119000000000, 0.0001859600000000, -0.0001167000000000 ] - [ 0.0001513900000000, 0.0001490700000000, 0.0001620900000000 ] - [ 0.0001987300000000, 0.0000011300000000, -0.0000478500000000 ] - [ 0.0004176200000000, 0.0001498000000000, 0.0000254000000000 ] - [ 0.0000983300000000, 0.0001963800000000, -0.0000598500000000 ] - [ 0.0006650200000000, -0.0024359500000000, -0.0019080300000000 ] - [ -0.0004043100000000, 0.0007647900000000, -0.0000535200000000 ] - [ -0.0000059800000000, 0.0002645500000000, 0.0000308000000000 ] - [ -0.0008327400000000, -0.0002523900000000, -0.0009225800000000 ] - [ 0.0002587500000000, 0.0001142100000000, 0.0001781200000000 ] - [ 0.0000684900000000, -0.0000381200000000, -0.0001348000000000 ] - [ -0.0000938300000000, -0.0000708600000000, -0.0002915800000000 ] - [ 0.0002426200000000, -0.0000498300000000, 0.0001785200000000 ] - [ -0.0000004900000000, 0.0004445400000000, 0.0003085200000000 ] - [ -0.0000516900000000, 0.0000531200000000, 0.0002992600000000 ] - [ -0.0001100200000000, 0.0002291100000000, 0.0003292100000000 ] - [ -0.0001950500000000, -0.0002880400000000, 0.0001634300000000 ] - [ 0.0004175200000000, -0.0001649200000000, 0.0000087700000000 ] - [ 0.0000964200000000, -0.0002035900000000, -0.0000601700000000 ] - [ -0.0000659800000000, 0.0000669200000000, -0.0002976400000000 ] - [ -0.0001565700000000, -0.0000205700000000, 0.0002463400000000 ] - [ -0.0002394600000000, -0.0001643300000000, 0.0000528400000000 ] - [ 0.0001089600000000, 0.0000096100000000, 0.0000094600000000 ] - [ 0.0068462500000000, 0.0020930100000000, -0.0001060700000000 ] - [ 0.0000627300000000, -0.0002536200000000, 0.0000358400000000 ] - [ 0.0001768200000000, -0.0000022900000000, -0.0000459400000000 ] - [ -0.0003022700000000, -0.0001774400000000, -0.0002523500000000 ] - [ 0.0002384400000000, -0.0002061000000000, -0.0001211400000000 ] - [ 0.0002075500000000, 0.0002151700000000, -0.0002810800000000 ] - [ -0.0000439400000000, 0.0001870500000000, -0.0000485300000000 ] - [ 0.0000267600000000, 0.0000091900000000, -0.0000443000000000 ] - [ -0.0000985600000000, -0.0000440400000000, -0.0001543500000000 ] - [ -0.0014806200000000, 0.0002246100000000, -0.0003515000000000 ] - [ -0.0001908700000000, 0.0001086600000000, -0.0000015300000000 ] - [ 0.0001761600000000, -0.0000106500000000, 0.0000064600000000 ] - [ 0.0005047800000000, 0.0001256700000000, 0.0002776000000000 ] - [ 0.0000445200000000, 0.0002407700000000, -0.0003233000000000 ] - [ 0.0001376200000000, -0.0001909900000000, 0.0000272100000000 ] - [ -0.0001753800000000, 0.0004083400000000, 0.0001714300000000 ] - [ 0.0001011900000000, 0.0002056500000000, 0.0001205300000000 ] - [ -0.0000813800000000, -0.0002460500000000, 0.0003495800000000 ] - [ 0.0002127700000000, 0.0000187500000000, 0.0001735000000000 ]- atom: 49 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0001314200000000, -0.0002525200000000, 0.0000977600000000 ] - [ -0.0001206000000000, -0.0002273400000000, 0.0001512700000000 ] - [ -0.0000698700000000, -0.0000950600000000, 0.0000811700000000 ] - [ 0.0001166900000000, 0.0000743100000000, -0.0001046300000000 ] - [ -0.0000527100000000, 0.0000909500000000, 0.0001648700000000 ] - [ 0.0000067600000000, 0.0000864400000000, -0.0002119100000000 ] - [ -0.0000452400000000, -0.0000811800000000, -0.0001595200000000 ] - [ 0.0001561800000000, -0.0000948900000000, -0.0001781900000000 ] - [ 0.0002552600000000, -0.0001582400000000, 0.0002446300000000 ] - [ -0.0000549300000000, -0.0001673200000000, -0.0000636500000000 ] - [ -0.0000278100000000, -0.0002197300000000, 0.0001041700000000 ] - [ -0.0000526900000000, 0.0001329800000000, -0.0000688900000000 ] - [ -0.0001172000000000, 0.0001731500000000, 0.0001432500000000 ] - [ 0.0004965100000000, -0.0000098500000000, -0.0001241700000000 ] - [ 0.0000035300000000, -0.0000957100000000, -0.0002001500000000 ] - [ -0.0000028200000000, 0.0001321300000000, 0.0001218000000000 ] - [ -0.0099092400000000, -0.0005708700000000, -0.0090519400000000 ] - [ 0.0000682900000000, 0.0002269600000000, 0.0000889900000000 ] - [ 0.0000525200000000, -0.0000876000000000, -0.0001911400000000 ] - [ -0.0119080700000000, 0.0017982900000000, 0.0112788300000000 ] - [ 0.0000789500000000, 0.0000943100000000, -0.0001788400000000 ] - [ -0.0000623000000000, 0.0001520500000000, 0.0001586100000000 ] - [ 0.0000186000000000, -0.0000913400000000, -0.0002180900000000 ] - [ 0.0000391300000000, -0.0002008300000000, 0.0001286400000000 ] - [ -0.0004029300000000, -0.0007348800000000, -0.0000837900000000 ] - [ 0.0015127300000000, -0.0009588600000000, 0.0001102900000000 ] - [ 0.0019653700000000, -0.0002298300000000, -0.0000417600000000 ] - [ 0.0003649900000000, -0.0002231200000000, 0.0000994700000000 ] - [ -0.0001178900000000, 0.0003676000000000, -0.0003966500000000 ] - [ -0.0006478500000000, 0.0010604500000000, -0.0001516300000000 ] - [ -0.0002487900000000, 0.0003080700000000, -0.0001572000000000 ] - [ -0.0000844800000000, 0.0003218200000000, 0.0000452300000000 ] - [ -0.0034674800000000, -0.0005123300000000, -0.0016509800000000 ] - [ -0.0002804900000000, -0.0003447000000000, -0.0001702400000000 ] - [ -0.0000804900000000, -0.0001434200000000, -0.0003966500000000 ] - [ 0.0006892100000000, -0.0000777700000000, 0.0001167700000000 ] - [ -0.0001314600000000, 0.0000368700000000, -0.0004669900000000 ] - [ -0.0003980700000000, 0.0006798000000000, -0.0000924100000000 ] - [ -0.0000767200000000, 0.0000872200000000, 0.0000221300000000 ] - [ 0.0004029900000000, 0.0001967500000000, 0.0000706200000000 ] - [ 0.0007317900000000, -0.0022842900000000, -0.0017525100000000 ] - [ -0.0001319100000000, 0.0001448300000000, -0.0003303400000000 ] - [ 0.0015496800000000, 0.0010488900000000, -0.0014616900000000 ] - [ 0.0000574000000000, 0.0006560200000000, -0.0002003300000000 ] - [ -0.0001456600000000, 0.0000150200000000, 0.0002461600000000 ] - [ -0.0000612000000000, 0.0001634000000000, 0.0003433000000000 ] - [ -0.0001622200000000, -0.0004170500000000, 0.0002057300000000 ] - [ -0.0057245800000000, -0.0007214600000000, -0.0016860300000000 ] - [ 0.0357693400000000, 0.0008720800000000, -0.0014562200000000 ] - [ 0.0000825300000000, 0.0000158700000000, -0.0001460400000000 ] - [ -0.0001000200000000, 0.0000022800000000, 0.0002813700000000 ] - [ -0.0002184000000000, -0.0001328000000000, 0.0000161300000000 ] - [ -0.0001243200000000, 0.0002315700000000, -0.0000885700000000 ] - [ 0.0000030300000000, -0.0004403600000000, 0.0003097200000000 ] - [ 0.0001157700000000, -0.0003643900000000, -0.0000402800000000 ] - [ -0.0058145200000000, 0.0012634500000000, 0.0014664200000000 ] - [ -0.0000140500000000, -0.0002440700000000, -0.0004415400000000 ] - [ 0.0001868700000000, -0.0003817800000000, 0.0003001500000000 ] - [ 0.0001370900000000, 0.0001772100000000, 0.0000282000000000 ] - [ -0.0003179100000000, 0.0001715700000000, -0.0002231700000000 ] - [ 0.0000205700000000, -0.0002184500000000, -0.0001030100000000 ] - [ 0.0003478800000000, -0.0002350800000000, -0.0001574300000000 ] - [ 0.0002504500000000, 0.0002493700000000, -0.0001139800000000 ] - [ -0.0005814900000000, 0.0001213900000000, -0.0001176900000000 ] - [ 0.0001585900000000, -0.0000146400000000, -0.0000448300000000 ] - [ 0.0004375500000000, 0.0001522600000000, 0.0000188900000000 ] - [ 0.0000873900000000, 0.0001961100000000, -0.0000607500000000 ] - [ -0.0003919300000000, 0.0021154100000000, 0.0019953700000000 ] - [ 0.0000591700000000, 0.0000561500000000, 0.0003741900000000 ] - [ 0.0000207100000000, 0.0002603100000000, -0.0000022000000000 ] - [ 0.0006383600000000, -0.0001532900000000, 0.0015945700000000 ] - [ 0.0002109700000000, -0.0000452200000000, 0.0001719100000000 ] - [ 0.0000731500000000, -0.0000093400000000, -0.0001362600000000 ] - [ -0.0001076500000000, 0.0001569500000000, -0.0000237800000000 ] - [ 0.0002278500000000, -0.0000199100000000, 0.0001694600000000 ] - [ 0.0000008200000000, 0.0004361900000000, 0.0003389800000000 ] - [ -0.0002635100000000, -0.0000160100000000, 0.0001953600000000 ] - [ -0.0000524200000000, 0.0002418300000000, 0.0003726500000000 ] - [ -0.0001586700000000, -0.0005273000000000, 0.0001726800000000 ] - [ 0.0004381800000000, -0.0001346800000000, 0.0000364400000000 ] - [ 0.0000894800000000, -0.0001875200000000, -0.0000602800000000 ] - [ 0.0002086900000000, -0.0000170000000000, 0.0000294500000000 ] - [ -0.0001592500000000, -0.0000134300000000, 0.0002484000000000 ] - [ -0.0001929700000000, -0.0001045500000000, -0.0000213800000000 ] - [ -0.0000183900000000, 0.0000667800000000, -0.0000095000000000 ] - [ -0.0068870200000000, -0.0032115100000000, 0.0008430500000000 ] - [ -0.0000472600000000, -0.0002680000000000, -0.0000087200000000 ] - [ 0.0001794300000000, 0.0000181300000000, -0.0000468800000000 ] - [ -0.0002975200000000, -0.0001408400000000, -0.0002371600000000 ] - [ 0.0002239700000000, -0.0002233100000000, -0.0001102300000000 ] - [ 0.0000827800000000, 0.0001107700000000, 0.0003400500000000 ] - [ -0.0005563200000000, 0.0001321000000000, -0.0004411300000000 ] - [ 0.0000634800000000, -0.0000810400000000, 0.0000431600000000 ] - [ -0.0001026000000000, -0.0000431600000000, -0.0001609200000000 ] - [ 0.0019458500000000, 0.0002170000000000, 0.0001402300000000 ] - [ -0.0002425500000000, 0.0001662400000000, 0.0000363500000000 ] - [ 0.0001814900000000, -0.0000028800000000, -0.0000989500000000 ] - [ 0.0003499600000000, 0.0001766400000000, -0.0002344400000000 ] - [ 0.0001408100000000, 0.0001510600000000, 0.0002035000000000 ] - [ 0.0001534000000000, -0.0001420900000000, 0.0000284200000000 ] - [ -0.0001789100000000, 0.0004075200000000, 0.0001644300000000 ] - [ -0.0000861300000000, 0.0003232400000000, -0.0000950600000000 ] - [ -0.0000799800000000, -0.0002205100000000, 0.0003525600000000 ] - [ 0.0002588200000000, 0.0000556000000000, 0.0001749400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001618200000000, -0.0002960300000000, 0.0001381800000000 ] - [ -0.0000625600000000, -0.0000480000000000, -0.0001980700000000 ] - [ 0.0000795800000000, -0.0000783500000000, 0.0001693200000000 ] - [ 0.0000498600000000, 0.0002110500000000, -0.0000000500000000 ] - [ -0.0000273500000000, 0.0002840500000000, 0.0001988000000000 ] - [ 0.0000316000000000, -0.0000473800000000, -0.0002104200000000 ] - [ -0.0000231400000000, -0.0000865600000000, -0.0002847600000000 ] - [ 0.0002609900000000, 0.0025468600000000, 0.0031081500000000 ] - [ 0.0002626500000000, 0.0004195300000000, 0.0005534500000000 ] - [ -0.0005466200000000, -0.0004793100000000, -0.0002866300000000 ] - [ 0.0005114400000000, -0.0004426200000000, -0.0000661100000000 ] - [ -0.0000112700000000, 0.0001394000000000, 0.0000157300000000 ] - [ -0.0000950900000000, 0.0001217300000000, 0.0001130600000000 ] - [ -0.0004510300000000, 0.0005436600000000, -0.0000274700000000 ] - [ -0.0000077500000000, -0.0001676100000000, -0.0002478600000000 ] - [ -0.0000313800000000, 0.0001192900000000, 0.0001461100000000 ] - [ -0.0009747600000000, 0.0013194700000000, -0.0024927800000000 ] - [ 0.0000966100000000, 0.0000240300000000, 0.0001009500000000 ] - [ 0.0000212600000000, -0.0002605800000000, -0.0002296100000000 ] - [ 0.0005215700000000, -0.0000129300000000, -0.0017776700000000 ] - [ 0.0001781000000000, -0.0000335300000000, -0.0001363000000000 ] - [ 0.0000696700000000, 0.0004414000000000, -0.0000468700000000 ] - [ 0.0000963600000000, 0.0001485000000000, -0.0003119600000000 ] - [ -0.0000523500000000, -0.0003384200000000, 0.0001671800000000 ] - [ -0.0003981000000000, -0.0007723400000000, -0.0000574700000000 ] - [ -0.0001689000000000, -0.0000444800000000, -0.0007050300000000 ] - [ -0.0011876000000000, 0.0003329100000000, -0.0014746900000000 ] - [ 0.0004474000000000, -0.0003044200000000, 0.0001058000000000 ] - [ -0.0000616800000000, 0.0001185000000000, -0.0003915400000000 ] - [ -0.0002100400000000, 0.0006008400000000, -0.0001356100000000 ] - [ -0.0003057000000000, 0.0002194700000000, -0.0001030000000000 ] - [ 0.0004514000000000, 0.0002436800000000, -0.0000369400000000 ] - [ -0.0003799800000000, 0.0108094800000000, 0.0069968800000000 ] - [ -0.0002659500000000, -0.0004789300000000, -0.0001484700000000 ] - [ -0.0000634400000000, -0.0000719000000000, -0.0004378800000000 ] - [ 0.0004524800000000, -0.0002144700000000, 0.0000158700000000 ] - [ 0.0000378700000000, 0.0000093000000000, -0.0004248900000000 ] - [ -0.0004380800000000, 0.0006329700000000, -0.0001158500000000 ] - [ -0.0004211400000000, 0.0005745000000000, -0.0002713900000000 ] - [ 0.0003680400000000, -0.0004600000000000, -0.0004297100000000 ] - [ -0.0007996100000000, 0.0007370900000000, -0.0009259800000000 ] - [ -0.0001880300000000, 0.0000416300000000, -0.0001487000000000 ] - [ 0.0010310200000000, 0.0032671000000000, 0.0008376700000000 ] - [ -0.0000273000000000, 0.0006332700000000, 0.0004970400000000 ] - [ -0.0001504300000000, 0.0001171700000000, 0.0002688200000000 ] - [ -0.0000346400000000, 0.0002640600000000, 0.0004222400000000 ] - [ -0.0001751100000000, -0.0004201600000000, 0.0001699300000000 ] - [ 0.0010229800000000, -0.0002195200000000, -0.0000157000000000 ] - [ -0.0009806100000000, -0.1154954800000000, 0.0010012700000000 ] - [ 0.0000957100000000, 0.0000950600000000, -0.0001200600000000 ] - [ -0.0003319200000000, -0.0000494800000000, -0.0000117600000000 ] - [ -0.0002139400000000, -0.0000280900000000, -0.0000114900000000 ] - [ 0.0001927400000000, 0.0006897900000000, 0.0000131100000000 ] - [ -0.0000037100000000, -0.0004318200000000, 0.0003435500000000 ] - [ -0.0000898400000000, -0.0002978700000000, -0.0000218800000000 ] - [ -0.0003398200000000, 0.0000301500000000, -0.0000859700000000 ] - [ -0.0003876800000000, -0.0002134300000000, -0.0002643500000000 ] - [ 0.0001977400000000, -0.0004338100000000, -0.0000993400000000 ] - [ 0.0001434600000000, 0.0002304600000000, 0.0000197200000000 ] - [ -0.0003394600000000, 0.0002065500000000, -0.0002036600000000 ] - [ 0.0000861300000000, -0.0000123700000000, 0.0000091100000000 ] - [ 0.0000173100000000, -0.0000807900000000, 0.0000429900000000 ] - [ 0.0002169600000000, 0.0003278100000000, -0.0001121500000000 ] - [ -0.0003628600000000, 0.0002288700000000, 0.0000993600000000 ] - [ 0.0001900200000000, 0.0000476000000000, -0.0000284700000000 ] - [ 0.0004369200000000, 0.0001871800000000, 0.0000438200000000 ] - [ 0.0000931400000000, 0.0002046900000000, -0.0000533600000000 ] - [ 0.0009104800000000, -0.0000580100000000, -0.0005039200000000 ] - [ -0.0003128300000000, 0.0009313700000000, -0.0024666200000000 ] - [ -0.0000478400000000, 0.0003555700000000, 0.0000218200000000 ] - [ -0.0015112400000000, 0.0035663600000000, 0.0001656800000000 ] - [ 0.0002662800000000, 0.0000555000000000, 0.0002245900000000 ] - [ 0.0000400100000000, 0.0000445400000000, -0.0001527200000000 ] - [ -0.0001353200000000, 0.0000337200000000, -0.0000537200000000 ] - [ 0.0002224900000000, 0.0000047400000000, 0.0001747600000000 ] - [ 0.0000002800000000, 0.0004482600000000, 0.0003058300000000 ] - [ -0.0001705100000000, -0.0000231500000000, 0.0002861400000000 ] - [ -0.0001490200000000, 0.0002414600000000, 0.0004033100000000 ] - [ -0.0001502800000000, -0.0003155700000000, 0.0001143700000000 ] - [ 0.0004020700000000, -0.0000491500000000, 0.0000074800000000 ] - [ 0.0000853000000000, -0.0001849100000000, -0.0000674000000000 ] - [ -0.0001417500000000, -0.0001979800000000, -0.0001342200000000 ] - [ -0.0002469500000000, 0.0001497600000000, 0.0002876700000000 ] - [ -0.0001826800000000, -0.0004280000000000, 0.0002533900000000 ] - [ 0.0000333200000000, 0.0000333600000000, -0.0000347700000000 ] - [ 0.0033468900000000, 0.0868713800000000, -0.0048629700000000 ] - [ -0.0000180300000000, 0.0002532100000000, -0.0000331200000000 ] - [ 0.0002145500000000, 0.0001035000000000, -0.0000748400000000 ] - [ -0.0002218200000000, -0.0000044100000000, -0.0002140300000000 ] - [ 0.0002277000000000, -0.0001547800000000, -0.0001236900000000 ] - [ -0.0000552600000000, 0.0004817500000000, -0.0008832900000000 ] - [ -0.0003068500000000, 0.0002041300000000, -0.0001737900000000 ] - [ 0.0000333600000000, -0.0000728700000000, 0.0000293700000000 ] - [ -0.0000986900000000, -0.0000114800000000, -0.0001747800000000 ] - [ 0.0002957100000000, 0.0018752100000000, 0.0042638700000000 ] - [ -0.0002136500000000, 0.0004729200000000, 0.0000675100000000 ] - [ 0.0001966500000000, -0.0000677300000000, 0.0000063300000000 ] - [ 0.0005965000000000, 0.0000652400000000, 0.0000401900000000 ] - [ 0.0000493000000000, 0.0001890700000000, 0.0001039400000000 ] - [ 0.0001599200000000, -0.0001005800000000, 0.0000360200000000 ] - [ -0.0001820200000000, 0.0004074700000000, 0.0001507400000000 ] - [ -0.0000050400000000, 0.0002232700000000, 0.0000333200000000 ] - [ -0.0000527700000000, -0.0002065300000000, 0.0003489200000000 ] - [ 0.0002314400000000, 0.0000149100000000, 0.0001824000000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000498200000000, -0.0000536400000000, 0.0001480700000000 ] - [ -0.0000080900000000, -0.0002785000000000, 0.0000844100000000 ] - [ -0.0001134400000000, -0.0001987800000000, 0.0000844900000000 ] - [ -0.0001163100000000, 0.0001118000000000, -0.0001249100000000 ] - [ -0.0001844300000000, 0.0000656900000000, 0.0000886900000000 ] - [ -0.0000402200000000, 0.0002372800000000, -0.0001880300000000 ] - [ 0.0000150800000000, -0.0001011000000000, -0.0001104100000000 ] - [ -0.0003035000000000, -0.0023260500000000, -0.0029421300000000 ] - [ -0.0004835900000000, -0.0007595600000000, -0.0002686100000000 ] - [ 0.0004776600000000, 0.0001558800000000, 0.0001628200000000 ] - [ -0.0005445500000000, 0.0001661800000000, 0.0003168000000000 ] - [ -0.0000542800000000, 0.0001796400000000, -0.0001391800000000 ] - [ -0.0001151400000000, 0.0002231100000000, 0.0001734100000000 ] - [ 0.0004480500000000, -0.0003456700000000, -0.0003709000000000 ] - [ -0.0000022400000000, -0.0000257700000000, -0.0001502100000000 ] - [ -0.0000055400000000, 0.0001530200000000, 0.0001044800000000 ] - [ 0.0011334700000000, -0.0010159500000000, 0.0021250100000000 ] - [ -0.0000278100000000, 0.0003175100000000, 0.0001484500000000 ] - [ 0.0001504400000000, 0.0000137000000000, -0.0001220300000000 ] - [ -0.0004339100000000, -0.0002481900000000, 0.0020079500000000 ] - [ -0.0000058500000000, 0.0002749800000000, -0.0002141300000000 ] - [ 0.0000015900000000, -0.0001071000000000, 0.0003039100000000 ] - [ 0.0000698700000000, -0.0003900500000000, -0.0000360600000000 ] - [ 0.0001217600000000, -0.0000124300000000, 0.0000831900000000 ] - [ -0.0004357200000000, -0.0006176800000000, -0.0001089900000000 ] - [ -0.0003379700000000, -0.0005625200000000, 0.0004509400000000 ] - [ 0.0010985100000000, -0.0005806000000000, 0.0007085800000000 ] - [ 0.0003136400000000, -0.0000989800000000, 0.0000426900000000 ] - [ -0.0000788500000000, 0.0000968200000000, -0.0004133500000000 ] - [ -0.0006375700000000, 0.0007940500000000, -0.0000285500000000 ] - [ -0.0002007000000000, 0.0003914600000000, -0.0001583000000000 ] - [ 0.0003080100000000, 0.0001690900000000, 0.0001924500000000 ] - [ -0.0004431700000000, -0.0120128500000000, -0.0071597300000000 ] - [ -0.0002395200000000, -0.0001364000000000, -0.0001190200000000 ] - [ -0.0000800000000000, -0.0001421400000000, -0.0003632600000000 ] - [ 0.0003150800000000, -0.0001894200000000, 0.0001418700000000 ] - [ -0.0001802500000000, 0.0002008300000000, -0.0003758000000000 ] - [ -0.0003967900000000, 0.0007511400000000, -0.0000519600000000 ] - [ -0.0000830000000000, 0.0000413900000000, 0.0000047200000000 ] - [ 0.0003918700000000, 0.0008607900000000, 0.0005775800000000 ] - [ 0.0009249700000000, -0.0007960800000000, 0.0006524800000000 ] - [ -0.0000165500000000, 0.0000450400000000, -0.0001688300000000 ] - [ -0.0005658400000000, -0.0033657200000000, -0.0005295000000000 ] - [ 0.0000306200000000, 0.0002496900000000, 0.0001501500000000 ] - [ -0.0001649700000000, -0.0000801600000000, 0.0002250900000000 ] - [ -0.0001298700000000, 0.0002022200000000, 0.0002801500000000 ] - [ -0.0001771600000000, -0.0003936800000000, 0.0001683500000000 ] - [ -0.0001848500000000, -0.0000883800000000, 0.0000517100000000 ] - [ 0.0008783900000000, 0.1105190800000000, -0.0008183900000000 ] - [ 0.0000441500000000, -0.0000419000000000, -0.0001514600000000 ] - [ 0.0000137200000000, 0.0000102300000000, 0.0004971600000000 ] - [ -0.0002188100000000, -0.0002364500000000, 0.0000400400000000 ] - [ -0.0001108900000000, -0.0006250700000000, -0.0000134700000000 ] - [ 0.0000040800000000, -0.0004503900000000, 0.0003033100000000 ] - [ 0.0001088200000000, -0.0002335800000000, 0.0000451400000000 ] - [ 0.0007108000000000, -0.0000257900000000, -0.0000121300000000 ] - [ -0.0002070400000000, -0.0001092000000000, -0.0002342500000000 ] - [ 0.0002659500000000, -0.0000005500000000, -0.0001310300000000 ] - [ 0.0001491900000000, 0.0001088300000000, 0.0000356600000000 ] - [ -0.0002600800000000, 0.0001138900000000, -0.0002868200000000 ] - [ 0.0000040700000000, -0.0000633800000000, -0.0000095700000000 ] - [ -0.0002266200000000, -0.0000085800000000, -0.0003665000000000 ] - [ 0.0002467000000000, 0.0001047900000000, -0.0001176900000000 ] - [ -0.0000727200000000, 0.0000320100000000, -0.0000730700000000 ] - [ 0.0001668700000000, -0.0000596600000000, -0.0000632400000000 ] - [ 0.0004183500000000, 0.0001160200000000, 0.0000006700000000 ] - [ 0.0000933200000000, 0.0001857000000000, -0.0000660700000000 ] - [ -0.0006055900000000, -0.0002899400000000, 0.0005582200000000 ] - [ -0.0000467100000000, -0.0001001500000000, 0.0028017400000000 ] - [ 0.0000632700000000, 0.0001678700000000, 0.0000063000000000 ] - [ 0.0013721200000000, -0.0041091200000000, 0.0005276300000000 ] - [ 0.0002046000000000, 0.0000153400000000, 0.0001258700000000 ] - [ 0.0000988600000000, -0.0000923000000000, -0.0001194800000000 ] - [ -0.0000648500000000, 0.0000480500000000, -0.0002643800000000 ] - [ 0.0002495400000000, -0.0000744300000000, 0.0001735200000000 ] - [ -0.0000000100000000, 0.0004341800000000, 0.0003419800000000 ] - [ -0.0001447900000000, 0.0000596800000000, 0.0002060200000000 ] - [ -0.0000142600000000, 0.0002284700000000, 0.0002978000000000 ] - [ -0.0002024100000000, -0.0004932500000000, 0.0002202700000000 ] - [ 0.0004535900000000, -0.0002512700000000, 0.0000378300000000 ] - [ 0.0001012300000000, -0.0002034400000000, -0.0000524000000000 ] - [ 0.0002815900000000, 0.0002449600000000, -0.0001386800000000 ] - [ -0.0000683800000000, -0.0001845900000000, 0.0002053400000000 ] - [ -0.0002499100000000, 0.0001589200000000, -0.0002226000000000 ] - [ 0.0000572000000000, 0.0000459600000000, 0.0000342300000000 ] - [ -0.0031055000000000, -0.0833748200000000, 0.0053127700000000 ] - [ 0.0000338900000000, -0.0007711300000000, 0.0000652400000000 ] - [ 0.0001419900000000, -0.0000891000000000, -0.0000168300000000 ] - [ -0.0003781400000000, -0.0003138200000000, -0.0002769700000000 ] - [ 0.0002350600000000, -0.0002738800000000, -0.0001075200000000 ] - [ 0.0003544200000000, -0.0001227100000000, 0.0009270700000000 ] - [ -0.0002991000000000, 0.0001133500000000, -0.0003189400000000 ] - [ 0.0000569000000000, 0.0000004300000000, -0.0000317400000000 ] - [ -0.0001027700000000, -0.0000743600000000, -0.0001406700000000 ] - [ 0.0001659400000000, -0.0013732800000000, -0.0044195000000000 ] - [ -0.0002189100000000, -0.0001999100000000, -0.0000342700000000 ] - [ 0.0001569200000000, 0.0000553900000000, -0.0001001400000000 ] - [ 0.0002576800000000, 0.0002352600000000, 0.0000014200000000 ] - [ 0.0001399800000000, 0.0002000500000000, -0.0002265100000000 ] - [ 0.0001328100000000, -0.0002336000000000, 0.0000199400000000 ] - [ -0.0001726700000000, 0.0004058000000000, 0.0001846100000000 ] - [ 0.0000186500000000, 0.0003029300000000, -0.0000094000000000 ] - [ -0.0001102500000000, -0.0002594000000000, 0.0003532000000000 ] - [ 0.0002406300000000, 0.0000579100000000, 0.0001661100000000 ]- atom: 49 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0000522300000000, -0.0001779500000000, 0.0001616700000000 ] - [ 0.0000661800000000, -0.0001748200000000, 0.0000332600000000 ] - [ -0.0001755900000000, -0.0001171400000000, 0.0001308900000000 ] - [ 0.0000806800000000, 0.0000042600000000, -0.0000921500000000 ] - [ -0.0001391000000000, -0.0000382300000000, -0.0002419300000000 ] - [ -0.0000412800000000, 0.0001250300000000, -0.0001631500000000 ] - [ -0.0000874100000000, -0.0001245900000000, -0.0003127400000000 ] - [ 0.0003663800000000, 0.0023442900000000, 0.0030081500000000 ] - [ 0.0001951100000000, -0.0000085500000000, 0.0005931500000000 ] - [ -0.0002607200000000, -0.0002822000000000, -0.0002105600000000 ] - [ 0.0001953500000000, -0.0003132600000000, -0.0000263100000000 ] - [ -0.0000372200000000, 0.0002222800000000, 0.0000068200000000 ] - [ -0.0001194800000000, 0.0001960500000000, 0.0001284600000000 ] - [ -0.0001708200000000, 0.0002439900000000, 0.0001057800000000 ] - [ 0.0000093200000000, -0.0000740400000000, -0.0002324600000000 ] - [ 0.0000004900000000, 0.0001801900000000, 0.0001546600000000 ] - [ 0.0064112300000000, -0.0016771900000000, 0.0088337300000000 ] - [ 0.0000046900000000, 0.0002317700000000, 0.0000767900000000 ] - [ 0.0000954000000000, -0.0001559100000000, -0.0001670800000000 ] - [ -0.0156385300000000, -0.0000101800000000, 0.0175180400000000 ] - [ 0.0001405100000000, 0.0001333600000000, -0.0001773700000000 ] - [ 0.0000378400000000, 0.0010853400000000, -0.0002057600000000 ] - [ 0.0003120400000000, -0.0000453700000000, -0.0004849600000000 ] - [ -0.0000232800000000, -0.0001579600000000, 0.0001344400000000 ] - [ -0.0004196400000000, -0.0007003300000000, -0.0000793200000000 ] - [ 0.0002810600000000, -0.0000339700000000, 0.0010313600000000 ] - [ 0.0008472000000000, -0.0002608000000000, 0.0012279100000000 ] - [ 0.0003782000000000, -0.0002479200000000, 0.0001899200000000 ] - [ -0.0002895200000000, -0.0001950300000000, -0.0003853000000000 ] - [ 0.0002766100000000, 0.0008403600000000, -0.0004585500000000 ] - [ -0.0001708400000000, 0.0003258800000000, -0.0002255900000000 ] - [ 0.0001434200000000, -0.0001784600000000, 0.0004997800000000 ] - [ -0.0007727700000000, 0.0039551800000000, 0.0009063900000000 ] - [ -0.0002686200000000, -0.0002739700000000, -0.0000263000000000 ] - [ -0.0000767000000000, -0.0001153200000000, -0.0004509200000000 ] - [ 0.0001887100000000, -0.0001748900000000, -0.0001148200000000 ] - [ -0.0000177800000000, 0.0001085000000000, -0.0005082500000000 ] - [ -0.0004215800000000, 0.0007230500000000, -0.0000828900000000 ] - [ -0.0006140100000000, 0.0004253900000000, -0.0001541100000000 ] - [ 0.0004032800000000, -0.0000877900000000, -0.0002616500000000 ] - [ 0.0006830800000000, 0.0020461000000000, 0.0008526300000000 ] - [ -0.0000274800000000, 0.0001022900000000, -0.0002707400000000 ] - [ 0.0000265500000000, -0.0003009900000000, -0.0009847900000000 ] - [ -0.0000512900000000, 0.0006761900000000, -0.0003370300000000 ] - [ -0.0001902200000000, 0.0000616700000000, 0.0002393200000000 ] - [ -0.0000397800000000, 0.0003118400000000, 0.0003384000000000 ] - [ -0.0001526500000000, -0.0003632800000000, 0.0001906800000000 ] - [ 0.0000057300000000, -0.0001599100000000, -0.0017445800000000 ] - [ 0.0131372000000000, 0.0012063800000000, -0.0489517000000000 ] - [ 0.0000573200000000, 0.0000073700000000, -0.0001309900000000 ] - [ 0.0001411500000000, -0.0000484100000000, 0.0000955100000000 ] - [ -0.0002361600000000, -0.0001484600000000, 0.0000558200000000 ] - [ -0.0001532200000000, -0.0003089500000000, -0.0003859300000000 ] - [ -0.0000000800000000, -0.0004394000000000, 0.0003200400000000 ] - [ 0.0000396100000000, -0.0001851700000000, -0.0001037900000000 ] - [ -0.0025768200000000, 0.0002091500000000, -0.0008055900000000 ] - [ -0.0001478000000000, -0.0001482500000000, -0.0005662100000000 ] - [ -0.0001429100000000, -0.0003424600000000, 0.0006392200000000 ] - [ 0.0001534200000000, 0.0001433700000000, 0.0000379000000000 ] - [ -0.0003076400000000, 0.0001648100000000, -0.0002668300000000 ] - [ 0.0001787100000000, 0.0001044100000000, 0.0000558900000000 ] - [ 0.0002859600000000, 0.0000972900000000, -0.0002340200000000 ] - [ 0.0002470600000000, 0.0001905400000000, -0.0001172300000000 ] - [ -0.0003645700000000, -0.0000639900000000, -0.0004155000000000 ] - [ 0.0001363300000000, -0.0000163200000000, -0.0000113700000000 ] - [ 0.0004201500000000, 0.0001579000000000, 0.0000293600000000 ] - [ 0.0000914200000000, 0.0001906600000000, -0.0000415400000000 ] - [ -0.0010710700000000, 0.0032749100000000, 0.0019334700000000 ] - [ 0.0000881600000000, -0.0019036500000000, 0.0055964400000000 ] - [ 0.0000425900000000, 0.0003066400000000, -0.0000303000000000 ] - [ 0.0008990000000000, -0.0009481600000000, -0.0001743000000000 ] - [ 0.0003101500000000, 0.0001042300000000, 0.0000892200000000 ] - [ 0.0000640300000000, -0.0000257100000000, -0.0001292000000000 ] - [ -0.0001931400000000, 0.0001974800000000, 0.0000114500000000 ] - [ 0.0002260200000000, -0.0000417000000000, 0.0001860500000000 ] - [ 0.0000138600000000, 0.0004437900000000, 0.0003042600000000 ] - [ -0.0001253600000000, 0.0000005200000000, 0.0003341200000000 ] - [ -0.0001542100000000, 0.0001910400000000, 0.0004253500000000 ] - [ -0.0002631600000000, -0.0005913700000000, 0.0001634200000000 ] - [ 0.0003990200000000, -0.0001436900000000, 0.0000064800000000 ] - [ 0.0000918300000000, -0.0002006800000000, -0.0000559100000000 ] - [ -0.0000368700000000, -0.0000229300000000, 0.0000692100000000 ] - [ -0.0002169700000000, 0.0000295100000000, 0.0002790300000000 ] - [ -0.0001799600000000, -0.0001928000000000, 0.0000854600000000 ] - [ 0.0000054000000000, 0.0000352700000000, -0.0000275900000000 ] - [ -0.0031499500000000, -0.0104082000000000, 0.0098583900000000 ] - [ -0.0000573200000000, 0.0001289100000000, -0.0000767300000000 ] - [ 0.0002169100000000, 0.0000178800000000, -0.0000688900000000 ] - [ -0.0002474700000000, -0.0001049300000000, -0.0002080200000000 ] - [ 0.0002363400000000, -0.0002195400000000, -0.0001078300000000 ] - [ -0.0002345900000000, -0.0015162800000000, 0.0011632500000000 ] - [ -0.0000596400000000, 0.0001012800000000, -0.0001415800000000 ] - [ 0.0000413800000000, -0.0001563300000000, 0.0000951500000000 ] - [ -0.0001051500000000, -0.0000267700000000, -0.0001682900000000 ] - [ 0.0007828700000000, 0.0026203700000000, 0.0015775800000000 ] - [ -0.0002084300000000, 0.0001544500000000, 0.0000312500000000 ] - [ 0.0004142900000000, -0.0001159200000000, 0.0001362400000000 ] - [ 0.0005561200000000, 0.0001341600000000, 0.0002383300000000 ] - [ -0.0001397100000000, 0.0000271900000000, 0.0005557100000000 ] - [ 0.0001423600000000, -0.0001605400000000, 0.0000331000000000 ] - [ -0.0001644100000000, 0.0004031800000000, 0.0001686900000000 ] - [ 0.0000655400000000, 0.0001692800000000, 0.0001296500000000 ] - [ -0.0000721200000000, -0.0002496200000000, 0.0003562700000000 ] - [ 0.0002339700000000, 0.0000252900000000, 0.0001951200000000 ]- atom: 49 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0001598900000000, -0.0001702600000000, 0.0001244200000000 ] - [ -0.0001318000000000, -0.0001463400000000, -0.0001564000000000 ] - [ 0.0001400400000000, -0.0001569300000000, 0.0001211100000000 ] - [ -0.0001492200000000, 0.0003165200000000, -0.0000327300000000 ] - [ -0.0000723500000000, 0.0003873100000000, 0.0005286700000000 ] - [ 0.0000327800000000, 0.0000652800000000, -0.0002360900000000 ] - [ 0.0000789300000000, -0.0000632100000000, -0.0000833700000000 ] - [ -0.0004207700000000, -0.0021200100000000, -0.0027875000000000 ] - [ -0.0004106200000000, -0.0003404400000000, -0.0003080000000000 ] - [ 0.0001961300000000, -0.0000389400000000, 0.0000888300000000 ] - [ -0.0002328800000000, 0.0000376300000000, 0.0002787900000000 ] - [ -0.0000284300000000, 0.0000972600000000, -0.0001303800000000 ] - [ -0.0000911600000000, 0.0001497600000000, 0.0001580000000000 ] - [ 0.0001676400000000, -0.0000526400000000, -0.0005044600000000 ] - [ -0.0000190100000000, -0.0001183800000000, -0.0001654200000000 ] - [ -0.0000369800000000, 0.0000927400000000, 0.0000963000000000 ] - [ -0.0060874100000000, 0.0018687100000000, -0.0091346200000000 ] - [ 0.0000654400000000, 0.0001117000000000, 0.0001722800000000 ] - [ 0.0000759100000000, -0.0000904200000000, -0.0001842300000000 ] - [ 0.0149194800000000, -0.0005103500000000, -0.0166460000000000 ] - [ 0.0000303900000000, 0.0001104200000000, -0.0001733500000000 ] - [ 0.0000342600000000, -0.0007518200000000, 0.0004535000000000 ] - [ -0.0001430100000000, -0.0002022200000000, 0.0001319400000000 ] - [ 0.0000936600000000, -0.0001903400000000, 0.0001152500000000 ] - [ -0.0004144800000000, -0.0006852400000000, -0.0000879600000000 ] - [ -0.0007747000000000, -0.0005679300000000, -0.0012599000000000 ] - [ -0.0009880500000000, 0.0000495500000000, -0.0020382500000000 ] - [ 0.0003824200000000, -0.0001545100000000, -0.0000408900000000 ] - [ 0.0001457800000000, 0.0004126900000000, -0.0004176700000000 ] - [ -0.0011156300000000, 0.0005454200000000, 0.0002958100000000 ] - [ -0.0003353800000000, 0.0002856000000000, -0.0000369600000000 ] - [ 0.0006098200000000, 0.0005827800000000, -0.0003567200000000 ] - [ -0.0000655900000000, -0.0053460700000000, -0.0011039600000000 ] - [ -0.0002365600000000, -0.0003407900000000, -0.0002421300000000 ] - [ -0.0000670400000000, -0.0001002800000000, -0.0003504200000000 ] - [ 0.0005733100000000, -0.0002305000000000, 0.0002691800000000 ] - [ -0.0001263700000000, 0.0001034400000000, -0.0002944200000000 ] - [ -0.0004132100000000, 0.0006608700000000, -0.0000847800000000 ] - [ 0.0001096800000000, 0.0001877600000000, -0.0001132700000000 ] - [ 0.0003571300000000, 0.0004912300000000, 0.0004147900000000 ] - [ -0.0005101500000000, -0.0020876600000000, -0.0010910400000000 ] - [ -0.0001766400000000, -0.0000167300000000, -0.0000454400000000 ] - [ 0.0004328300000000, 0.0002189600000000, 0.0013588100000000 ] - [ 0.0000499500000000, 0.0002049600000000, 0.0009739200000000 ] - [ -0.0001255800000000, -0.0000252900000000, 0.0002546400000000 ] - [ -0.0001224800000000, 0.0001555000000000, 0.0003651900000000 ] - [ -0.0002013800000000, -0.0004517100000000, 0.0001460200000000 ] - [ 0.0007901600000000, -0.0001509400000000, 0.0017861000000000 ] - [ -0.0122111300000000, -0.0011153500000000, 0.0480275400000000 ] - [ 0.0000830100000000, 0.0000441900000000, -0.0001401100000000 ] - [ -0.0004539800000000, 0.0000108900000000, 0.0003981800000000 ] - [ -0.0001964500000000, -0.0001175400000000, -0.0000262500000000 ] - [ 0.0002392800000000, 0.0003922800000000, 0.0003820300000000 ] - [ 0.0000005500000000, -0.0004423700000000, 0.0003270800000000 ] - [ -0.0000231200000000, -0.0003395500000000, 0.0001309500000000 ] - [ 0.0029548400000000, -0.0002002700000000, 0.0006963300000000 ] - [ -0.0004324300000000, -0.0001644800000000, 0.0000621300000000 ] - [ 0.0006115500000000, -0.0000888900000000, -0.0008846800000000 ] - [ 0.0001385400000000, 0.0001942400000000, 0.0000175200000000 ] - [ -0.0002924600000000, 0.0001555700000000, -0.0002229800000000 ] - [ -0.0000886100000000, -0.0001826200000000, -0.0000565200000000 ] - [ -0.0004840200000000, -0.0001757900000000, -0.0000687100000000 ] - [ 0.0002159400000000, 0.0002393400000000, -0.0001134600000000 ] - [ -0.0000647800000000, 0.0003269200000000, 0.0004462200000000 ] - [ 0.0002206000000000, 0.0000035700000000, -0.0000802800000000 ] - [ 0.0004348300000000, 0.0001442700000000, 0.0000158600000000 ] - [ 0.0000947000000000, 0.0001997800000000, -0.0000780100000000 ] - [ 0.0013141400000000, -0.0035472700000000, -0.0018124700000000 ] - [ -0.0004283600000000, 0.0026689000000000, -0.0051907000000000 ] - [ -0.0000268400000000, 0.0002164800000000, 0.0000589400000000 ] - [ -0.0010532700000000, 0.0004921600000000, 0.0008797500000000 ] - [ 0.0001618400000000, -0.0000341400000000, 0.0002608200000000 ] - [ 0.0000757100000000, -0.0000230100000000, -0.0001423900000000 ] - [ -0.0000079100000000, -0.0001105300000000, -0.0003262300000000 ] - [ 0.0002455200000000, -0.0000288800000000, 0.0001620000000000 ] - [ -0.0000132500000000, 0.0004381900000000, 0.0003433700000000 ] - [ -0.0001901700000000, 0.0000370700000000, 0.0001591700000000 ] - [ -0.0000085600000000, 0.0002788200000000, 0.0002767700000000 ] - [ -0.0000907600000000, -0.0002235700000000, 0.0001748300000000 ] - [ 0.0004568700000000, -0.0001572700000000, 0.0000392500000000 ] - [ 0.0000943600000000, -0.0001889000000000, -0.0000637100000000 ] - [ 0.0001793900000000, 0.0000733700000000, -0.0003371400000000 ] - [ -0.0000980800000000, -0.0000657100000000, 0.0002139200000000 ] - [ -0.0002519600000000, -0.0000736000000000, -0.0000555700000000 ] - [ 0.0000851100000000, 0.0000434600000000, 0.0000270200000000 ] - [ 0.0030816400000000, 0.0092622300000000, -0.0091643000000000 ] - [ 0.0000731300000000, -0.0006496300000000, 0.0001036700000000 ] - [ 0.0001394200000000, -0.0000038500000000, -0.0000225500000000 ] - [ -0.0003528200000000, -0.0002146400000000, -0.0002827300000000 ] - [ 0.0002263500000000, -0.0002092700000000, -0.0001233600000000 ] - [ 0.0005222500000000, 0.0018845900000000, -0.0011251000000000 ] - [ -0.0005421400000000, 0.0002189400000000, -0.0003490400000000 ] - [ 0.0000489900000000, 0.0000818600000000, -0.0000963100000000 ] - [ -0.0000964300000000, -0.0000599600000000, -0.0001467300000000 ] - [ -0.0003178500000000, -0.0021916500000000, -0.0018084700000000 ] - [ -0.0002245000000000, 0.0001151100000000, 0.0000014800000000 ] - [ -0.0000616100000000, 0.0001037900000000, -0.0002306100000000 ] - [ 0.0002968800000000, 0.0001677300000000, -0.0001931700000000 ] - [ 0.0003306200000000, 0.0003662000000000, -0.0006764000000000 ] - [ 0.0001499000000000, -0.0001748500000000, 0.0000227500000000 ] - [ -0.0001899100000000, 0.0004108300000000, 0.0001666500000000 ] - [ -0.0000503800000000, 0.0003560300000000, -0.0001033700000000 ] - [ -0.0000908000000000, -0.0002173000000000, 0.0003460800000000 ] - [ 0.0002376700000000, 0.0000479600000000, 0.0001538700000000 ]- atom: 52 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0000515400000000, -0.0002065000000000, 0.0000976100000000 ] - [ 0.0003243200000000, 0.0001490300000000, -0.0003007000000000 ] - [ -0.0001591200000000, -0.0001586500000000, 0.0001367600000000 ] - [ -0.0000405100000000, 0.0001180400000000, -0.0000565400000000 ] - [ -0.0001074100000000, 0.0001808000000000, 0.0001263900000000 ] - [ -0.0002246500000000, 0.0000990600000000, -0.0000375100000000 ] - [ -0.0000101100000000, -0.0000792200000000, -0.0002002200000000 ] - [ -0.0000495200000000, 0.0002509500000000, 0.0001836500000000 ] - [ -0.0001084700000000, -0.0001705500000000, 0.0001504800000000 ] - [ -0.0000408000000000, -0.0001405300000000, -0.0000553900000000 ] - [ -0.0000093900000000, -0.0001278500000000, 0.0001125800000000 ] - [ -0.0000616700000000, 0.0002164900000000, -0.0000741200000000 ] - [ 0.0014506700000000, 0.0006055500000000, 0.0016825700000000 ] - [ -0.0000015600000000, 0.0001019700000000, -0.0002019200000000 ] - [ 0.0007774500000000, -0.0000325000000000, -0.0006890100000000 ] - [ 0.0000984600000000, 0.0001184500000000, 0.0001006900000000 ] - [ 0.0000262300000000, 0.0001155900000000, -0.0001678700000000 ] - [ -0.0011546900000000, -0.0004446500000000, -0.0004665400000000 ] - [ -0.0016861500000000, 0.0000635300000000, 0.0009508800000000 ] - [ 0.0001076200000000, -0.0001806100000000, 0.0001226400000000 ] - [ 0.0002412200000000, -0.0000326300000000, -0.0002168000000000 ] - [ 0.0000092200000000, 0.0001424800000000, 0.0001839000000000 ] - [ 0.0001358200000000, -0.0000557400000000, -0.0002112900000000 ] - [ -0.0002773300000000, -0.0001600400000000, 0.0000320500000000 ] - [ -0.0007786300000000, -0.0010363900000000, 0.0000358900000000 ] - [ -0.0002580900000000, -0.0002920200000000, -0.0001488200000000 ] - [ -0.0000538900000000, -0.0003208300000000, -0.0003237300000000 ] - [ 0.0007886600000000, -0.0001070200000000, 0.0005280600000000 ] - [ -0.0007389900000000, 0.0000509400000000, -0.0003537900000000 ] - [ -0.0004177400000000, 0.0006993500000000, -0.0000780600000000 ] - [ 0.0137270400000000, -0.0019904100000000, 0.0021359900000000 ] - [ 0.0003500100000000, 0.0002437500000000, 0.0000942300000000 ] - [ -0.0003862800000000, -0.0006933300000000, -0.0000799800000000 ] - [ -0.0000915900000000, -0.0001815500000000, -0.0001453000000000 ] - [ -0.0000890600000000, -0.0000994300000000, -0.0004723200000000 ] - [ 0.0003554200000000, -0.0001436800000000, -0.0000974000000000 ] - [ 0.0001297800000000, -0.0002110000000000, -0.0005420300000000 ] - [ 0.0011986800000000, 0.0008331500000000, 0.0005573400000000 ] - [ -0.0002739100000000, 0.0003387000000000, -0.0000649800000000 ] - [ 0.0005310800000000, 0.0002218700000000, 0.0000870000000000 ] - [ 0.0000847600000000, 0.0000024100000000, -0.0001549800000000 ] - [ -0.0000064600000000, 0.0000096700000000, -0.0001318400000000 ] - [ 0.0001946000000000, 0.0000069200000000, 0.0001714600000000 ] - [ 0.0000095600000000, 0.0004419800000000, 0.0002872300000000 ] - [ -0.0004731700000000, -0.0010898600000000, 0.0000570900000000 ] - [ 0.0003556200000000, 0.0002794800000000, 0.0003636300000000 ] - [ -0.0002186200000000, -0.0002871900000000, 0.0001439000000000 ] - [ 0.0004414900000000, -0.0001530500000000, 0.0000382000000000 ] - [ 0.0000951100000000, -0.0001923800000000, -0.0000796000000000 ] - [ 0.0034002600000000, 0.0012903200000000, 0.0003240000000000 ] - [ -0.0001312500000000, -0.0000396800000000, 0.0002492700000000 ] - [ -0.0198733300000000, 0.0039650300000000, -0.0044204000000000 ] - [ 0.0000192000000000, 0.0001687000000000, -0.0002690200000000 ] - [ 0.0000156300000000, -0.0003939100000000, 0.0000727000000000 ] - [ 0.0000272600000000, -0.0002842500000000, 0.0000287200000000 ] - [ 0.0001736900000000, 0.0000079500000000, -0.0000364900000000 ] - [ -0.0002994800000000, -0.0002067600000000, -0.0002188800000000 ] - [ 0.0001788300000000, -0.0001558600000000, -0.0000982700000000 ] - [ 0.0003554100000000, -0.0010066900000000, -0.0016929400000000 ] - [ -0.0008351900000000, 0.0012517000000000, -0.0002903500000000 ] - [ 0.0002160300000000, -0.0000407500000000, -0.0000312000000000 ] - [ -0.0001311200000000, -0.0001296900000000, -0.0000583200000000 ] - [ 0.0004255700000000, 0.0004545000000000, 0.0001611800000000 ] - [ -0.0002135700000000, 0.0001095400000000, 0.0000133700000000 ] - [ -0.0000074800000000, 0.0045989200000000, -0.0036101900000000 ] - [ 0.0016037100000000, -0.0059263100000000, 0.0049161600000000 ] - [ 0.0004606800000000, 0.0003410800000000, -0.0000921600000000 ] - [ 0.0001349800000000, -0.0001712100000000, 0.0000280900000000 ] - [ -0.0001886200000000, 0.0004189000000000, 0.0000794500000000 ] - [ -0.0002101200000000, -0.0000232600000000, -0.0000680800000000 ] - [ -0.0000629400000000, -0.0001833900000000, 0.0003066000000000 ] - [ 0.0003656200000000, -0.0000190100000000, 0.0001070300000000 ] - [ 0.0001748600000000, -0.0000041900000000, -0.0000939800000000 ] - [ -0.0001254600000000, 0.0000625700000000, -0.0001336700000000 ] - [ 0.0002954000000000, -0.0000355100000000, 0.0001954900000000 ] - [ 0.0001309600000000, 0.0000558100000000, 0.0004406800000000 ] - [ -0.0001944700000000, -0.0000223000000000, 0.0002559200000000 ] - [ -0.0000916100000000, 0.0001337900000000, 0.0003943900000000 ] - [ -0.0001428200000000, -0.0004026000000000, 0.0001352400000000 ] - [ 0.0003216400000000, -0.0001640500000000, 0.0000281200000000 ] - [ 0.0000700700000000, -0.0001600100000000, -0.0000294200000000 ] - [ 0.0000741200000000, -0.0000184000000000, -0.0001373900000000 ] - [ -0.0002537600000000, -0.0000255100000000, 0.0002211700000000 ] - [ -0.0002046700000000, -0.0002231500000000, 0.0000320300000000 ] - [ 0.0000547400000000, 0.0000461400000000, 0.0000331400000000 ] - [ -0.0000071200000000, -0.0004364300000000, 0.0003299600000000 ] - [ -0.0000275200000000, -0.0003013200000000, 0.0000130200000000 ] - [ 0.0003337600000000, -0.0001657700000000, 0.0002491600000000 ] - [ -0.0003240300000000, -0.0002157700000000, -0.0002541700000000 ] - [ 0.0006248800000000, -0.0005543100000000, -0.0004432400000000 ] - [ 0.0001467200000000, 0.0001332400000000, 0.0000337300000000 ] - [ -0.0002857700000000, 0.0001400100000000, -0.0002401200000000 ] - [ -0.0006120400000000, 0.0003108800000000, 0.0001567600000000 ] - [ -0.0000876100000000, -0.0000614500000000, -0.0001278900000000 ] - [ 0.0002213500000000, 0.0002193100000000, -0.0001171900000000 ] - [ -0.0002177000000000, 0.0001244300000000, -0.0000058200000000 ] - [ 0.0002181900000000, -0.0000041900000000, -0.0000625200000000 ] - [ 0.0004110200000000, 0.0001449600000000, 0.0000228700000000 ] - [ 0.0001187100000000, 0.0001914500000000, -0.0000416400000000 ] - [ 0.0002439000000000, -0.0000617400000000, -0.0001273400000000 ] - [ -0.0001354700000000, 0.0004360000000000, 0.0001865500000000 ] - [ 0.0000157500000000, 0.0001544400000000, 0.0001357800000000 ] - [ -0.0001016100000000, -0.0002286000000000, 0.0003553700000000 ] - [ 0.0002683200000000, 0.0002038600000000, 0.0001652600000000 ]- atom: 52 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0001596100000000, -0.0001418700000000, 0.0001889100000000 ] - [ -0.0003915900000000, -0.0004687100000000, 0.0001739000000000 ] - [ 0.0001236300000000, -0.0001161800000000, 0.0001138200000000 ] - [ -0.0000244000000000, 0.0002057500000000, -0.0000651200000000 ] - [ -0.0001033200000000, 0.0001669600000000, 0.0001601100000000 ] - [ 0.0002149000000000, 0.0000758300000000, -0.0003750500000000 ] - [ 0.0000000500000000, -0.0001110500000000, -0.0001980400000000 ] - [ 0.0000119000000000, 0.0000253800000000, 0.0000690600000000 ] - [ -0.0001021400000000, -0.0001746000000000, 0.0001357600000000 ] - [ -0.0000252700000000, -0.0001800000000000, -0.0000673300000000 ] - [ -0.0000272400000000, -0.0001455200000000, 0.0001391700000000 ] - [ -0.0000046100000000, 0.0001045400000000, -0.0000492100000000 ] - [ -0.0017263500000000, -0.0003020300000000, -0.0014590000000000 ] - [ -0.0000086200000000, 0.0000908000000000, -0.0001967300000000 ] - [ -0.0007686800000000, -0.0001756500000000, 0.0002627700000000 ] - [ -0.0001348600000000, 0.0001554700000000, 0.0001501800000000 ] - [ 0.0001454200000000, 0.0001328600000000, -0.0001833700000000 ] - [ 0.0012426500000000, 0.0007927700000000, 0.0007193000000000 ] - [ 0.0018471700000000, -0.0003196100000000, -0.0012961900000000 ] - [ -0.0000383100000000, -0.0001629200000000, 0.0001263400000000 ] - [ -0.0000678900000000, 0.0002755300000000, -0.0001330500000000 ] - [ 0.0000595600000000, 0.0002098000000000, 0.0000632100000000 ] - [ 0.0000358000000000, -0.0001827500000000, -0.0001410700000000 ] - [ 0.0003407500000000, -0.0001882600000000, 0.0002154400000000 ] - [ -0.0000594400000000, -0.0003526500000000, -0.0002009500000000 ] - [ -0.0002478800000000, -0.0003195900000000, -0.0001134100000000 ] - [ -0.0000902400000000, 0.0001109600000000, -0.0004788900000000 ] - [ -0.0000329300000000, -0.0002983000000000, -0.0003443000000000 ] - [ 0.0005961800000000, 0.0001613300000000, -0.0004432200000000 ] - [ -0.0004173600000000, 0.0006905500000000, -0.0000897500000000 ] - [ -0.0142026600000000, 0.0022474300000000, -0.0021302700000000 ] - [ 0.0004094000000000, 0.0001612700000000, 0.0000560000000000 ] - [ -0.0004488200000000, -0.0006921300000000, -0.0000880000000000 ] - [ -0.0004014400000000, -0.0004454800000000, -0.0001221600000000 ] - [ -0.0000556100000000, -0.0001119700000000, -0.0003301700000000 ] - [ 0.0004038000000000, -0.0002594600000000, 0.0002459100000000 ] - [ -0.0002797100000000, 0.0004141300000000, -0.0002801900000000 ] - [ -0.0019719600000000, 0.0005447800000000, -0.0007048700000000 ] - [ -0.0002314500000000, 0.0002762400000000, -0.0002011200000000 ] - [ 0.0002273200000000, 0.0001859900000000, 0.0000653200000000 ] - [ 0.0000544400000000, -0.0000560900000000, -0.0001169700000000 ] - [ -0.0001967100000000, 0.0000772500000000, -0.0001844100000000 ] - [ 0.0002776900000000, -0.0000777600000000, 0.0001782600000000 ] - [ -0.0000090900000000, 0.0004413900000000, 0.0003591300000000 ] - [ 0.0001669100000000, 0.0011365800000000, 0.0004299700000000 ] - [ -0.0005172000000000, 0.0001856700000000, 0.0003369700000000 ] - [ -0.0001351600000000, -0.0005319800000000, 0.0001902600000000 ] - [ 0.0004128100000000, -0.0001504600000000, 0.0000076200000000 ] - [ 0.0000912200000000, -0.0001964700000000, -0.0000393300000000 ] - [ -0.0032251600000000, -0.0012319900000000, -0.0005986300000000 ] - [ -0.0001850000000000, 0.0000029500000000, 0.0002430700000000 ] - [ 0.0193605100000000, -0.0038278000000000, 0.0042999900000000 ] - [ 0.0000708800000000, -0.0000952500000000, 0.0002700400000000 ] - [ -0.0000143400000000, -0.0004900600000000, 0.0005773400000000 ] - [ -0.0000114100000000, -0.0002395300000000, -0.0000010000000000 ] - [ 0.0001836600000000, 0.0000039400000000, -0.0000540000000000 ] - [ -0.0002996900000000, -0.0001132400000000, -0.0002722500000000 ] - [ 0.0002861900000000, -0.0002756500000000, -0.0001309800000000 ] - [ -0.0000441200000000, 0.0013506400000000, 0.0017205200000000 ] - [ 0.0002334900000000, -0.0009290300000000, -0.0002068900000000 ] - [ -0.0001261100000000, -0.0000346100000000, 0.0000286300000000 ] - [ -0.0000709100000000, 0.0000460000000000, -0.0002571800000000 ] - [ 0.0000383800000000, -0.0000211300000000, -0.0003903500000000 ] - [ -0.0002196100000000, 0.0001551800000000, 0.0000162900000000 ] - [ 0.0003568900000000, -0.0046166700000000, 0.0035065200000000 ] - [ -0.0007535400000000, 0.0062478100000000, -0.0049179900000000 ] - [ -0.0002731100000000, 0.0000509900000000, -0.0000270800000000 ] - [ 0.0001580500000000, -0.0001686600000000, 0.0000280100000000 ] - [ -0.0001653600000000, 0.0003933200000000, 0.0002565100000000 ] - [ 0.0002264000000000, 0.0005305800000000, 0.0000949900000000 ] - [ -0.0001014000000000, -0.0002830900000000, 0.0003969100000000 ] - [ 0.0001036100000000, 0.0000899600000000, 0.0002409100000000 ] - [ -0.0000358800000000, -0.0000450000000000, -0.0001787300000000 ] - [ -0.0000757200000000, 0.0000253000000000, -0.0001841900000000 ] - [ 0.0001774200000000, -0.0000345200000000, 0.0001532900000000 ] - [ -0.0001336700000000, 0.0008213100000000, 0.0002099400000000 ] - [ -0.0001222000000000, 0.0000567100000000, 0.0002369700000000 ] - [ -0.0000708500000000, 0.0003262600000000, 0.0003099400000000 ] - [ -0.0002111900000000, -0.0004111600000000, 0.0001992100000000 ] - [ 0.0005316900000000, -0.0001380000000000, 0.0000180100000000 ] - [ 0.0001167900000000, -0.0002282700000000, -0.0000901400000000 ] - [ 0.0000632800000000, 0.0000657900000000, -0.0001345500000000 ] - [ -0.0000652200000000, -0.0000115300000000, 0.0002734400000000 ] - [ -0.0002281800000000, -0.0000469000000000, -0.0000001600000000 ] - [ 0.0000358500000000, 0.0000279600000000, -0.0000339100000000 ] - [ 0.0000073600000000, -0.0004477400000000, 0.0003177900000000 ] - [ 0.0000432200000000, -0.0002227900000000, 0.0000146800000000 ] - [ 0.0000143600000000, 0.0001862500000000, -0.0003321100000000 ] - [ -0.0002764200000000, -0.0001044300000000, -0.0002356800000000 ] - [ -0.0001591600000000, 0.0001176000000000, 0.0002065400000000 ] - [ 0.0001464300000000, 0.0002020500000000, 0.0000225200000000 ] - [ -0.0003135800000000, 0.0001781100000000, -0.0002506000000000 ] - [ 0.0007145300000000, -0.0003310300000000, -0.0001131900000000 ] - [ -0.0001137500000000, -0.0000223300000000, -0.0001878800000000 ] - [ 0.0002414600000000, 0.0002102300000000, -0.0001133500000000 ] - [ -0.0002156300000000, 0.0001456600000000, 0.0000386800000000 ] - [ 0.0001379200000000, -0.0000103500000000, -0.0000274900000000 ] - [ 0.0004434500000000, 0.0001566100000000, 0.0000237100000000 ] - [ 0.0000676000000000, 0.0001966400000000, -0.0000767100000000 ] - [ 0.0000512500000000, -0.0002735100000000, 0.0001814000000000 ] - [ -0.0002191800000000, 0.0003754800000000, 0.0001471100000000 ] - [ 0.0000008800000000, 0.0003664600000000, -0.0001056400000000 ] - [ -0.0000622400000000, -0.0002376600000000, 0.0003471600000000 ] - [ 0.0002000500000000, -0.0001456000000000, 0.0001853400000000 ]- atom: 52 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000023300000000, 0.0002083000000000, 0.0001933200000000 ] - [ 0.0000916800000000, -0.0003191700000000, 0.0004599700000000 ] - [ -0.0001389400000000, -0.0000543200000000, 0.0002379400000000 ] - [ -0.0003342200000000, -0.0002103000000000, -0.0003389800000000 ] - [ -0.0001536300000000, -0.0000519000000000, 0.0001566400000000 ] - [ -0.0000322600000000, 0.0019761000000000, 0.0019689800000000 ] - [ 0.0000292000000000, -0.0002982200000000, -0.0001960200000000 ] - [ 0.0003162100000000, -0.0002298000000000, -0.0001713400000000 ] - [ -0.0001198800000000, -0.0003769100000000, 0.0002137200000000 ] - [ -0.0000299300000000, -0.0003016200000000, -0.0000923500000000 ] - [ 0.0000137400000000, -0.0003022400000000, 0.0000651300000000 ] - [ -0.0001994700000000, 0.0000186100000000, 0.0000344700000000 ] - [ -0.0002095700000000, 0.0006959300000000, -0.0000136300000000 ] - [ 0.0000315400000000, -0.0000849300000000, -0.0001427200000000 ] - [ 0.0005527400000000, 0.0001661500000000, -0.0009709400000000 ] - [ 0.0001439100000000, 0.0000297400000000, 0.0002323400000000 ] - [ 0.0000176000000000, -0.0002887800000000, -0.0001189900000000 ] - [ -0.0017948100000000, 0.0015661100000000, -0.0003993100000000 ] - [ 0.0018699700000000, 0.0012129900000000, -0.0006499000000000 ] - [ 0.0000817600000000, -0.0005691200000000, 0.0002244000000000 ] - [ -0.0000792300000000, 0.0002924500000000, -0.0001674900000000 ] - [ -0.0001353300000000, -0.0008573800000000, 0.0001719800000000 ] - [ 0.0001837000000000, -0.0011698000000000, -0.0000119700000000 ] - [ 0.0003210400000000, -0.0000287900000000, 0.0002638400000000 ] - [ -0.0002985000000000, 0.0001601200000000, -0.0000493200000000 ] - [ -0.0003082300000000, -0.0005390100000000, -0.0003670200000000 ] - [ 0.0000752100000000, -0.0001622500000000, -0.0002844900000000 ] - [ 0.0002881100000000, 0.0024759700000000, -0.0076160600000000 ] - [ -0.0000140600000000, -0.0003288000000000, -0.0009695000000000 ] - [ -0.0003863500000000, 0.0001617400000000, 0.0000391600000000 ] - [ -0.0041922400000000, 0.0911065900000000, -0.0517776900000000 ] - [ 0.0004765900000000, 0.0001481900000000, 0.0002827800000000 ] - [ -0.0003967200000000, -0.0009688800000000, -0.0000081100000000 ] - [ -0.0007038700000000, 0.0001648400000000, 0.0004388200000000 ] - [ 0.0000539600000000, -0.0003451800000000, -0.0003022100000000 ] - [ 0.0003783800000000, -0.0003135600000000, 0.0001274200000000 ] - [ -0.0001604300000000, 0.0034900100000000, -0.0020743000000000 ] - [ -0.0007477100000000, -0.0009730500000000, -0.0008299700000000 ] - [ -0.0002721700000000, 0.0000026200000000, 0.0002385700000000 ] - [ 0.0005393900000000, 0.0000715500000000, -0.0002562600000000 ] - [ 0.0000464500000000, 0.0002626800000000, -0.0001819300000000 ] - [ 0.0000646300000000, -0.0001869200000000, -0.0000843800000000 ] - [ 0.0001869000000000, 0.0000832000000000, 0.0001244500000000 ] - [ -0.0000262500000000, 0.0005309400000000, 0.0007398000000000 ] - [ -0.0017385100000000, 0.0007547200000000, 0.0017720200000000 ] - [ -0.0001666000000000, 0.0003512200000000, 0.0004421900000000 ] - [ -0.0004636900000000, -0.0003013300000000, -0.0000151400000000 ] - [ 0.0004550100000000, -0.0000349600000000, 0.0000430100000000 ] - [ 0.0000919800000000, -0.0000922300000000, -0.0000759300000000 ] - [ -0.0012960200000000, -0.0005281300000000, 0.0002048100000000 ] - [ -0.0001533800000000, 0.0000612100000000, 0.0002194300000000 ] - [ 0.0035995000000000, -0.1095968700000000, 0.0599307700000000 ] - [ 0.0000708900000000, 0.0002831300000000, -0.0001458600000000 ] - [ -0.0001421100000000, -0.0003209500000000, 0.0005637400000000 ] - [ -0.0000213500000000, -0.0001919800000000, -0.0000427600000000 ] - [ 0.0001559200000000, 0.0001072100000000, -0.0000497700000000 ] - [ -0.0003441500000000, -0.0000638900000000, -0.0003034600000000 ] - [ -0.0001302100000000, -0.0004292300000000, -0.0005115300000000 ] - [ 0.0021759600000000, 0.0010188100000000, 0.0009294900000000 ] - [ 0.0010683200000000, 0.0013376400000000, 0.0012243600000000 ] - [ 0.0000098900000000, 0.0000126000000000, 0.0001934600000000 ] - [ -0.0001958100000000, -0.0001286100000000, -0.0000570700000000 ] - [ 0.0000922400000000, -0.0002747000000000, -0.0003891500000000 ] - [ -0.0001937800000000, 0.0003544800000000, 0.0001262700000000 ] - [ 0.0027802800000000, 0.0017511700000000, -0.0034841900000000 ] - [ -0.0021694900000000, 0.0017302000000000, -0.0033276800000000 ] - [ 0.0000780700000000, 0.0002943500000000, 0.0001438400000000 ] - [ 0.0001672100000000, 0.0000608100000000, -0.0000187900000000 ] - [ -0.0001952500000000, 0.0003558600000000, 0.0000192300000000 ] - [ 0.0000803500000000, 0.0040943700000000, 0.0003553300000000 ] - [ -0.0000537400000000, -0.0001490700000000, 0.0002846500000000 ] - [ 0.0003051600000000, 0.0000468200000000, 0.0001721700000000 ] - [ 0.0001548200000000, -0.0003907300000000, -0.0002313100000000 ] - [ -0.0000664000000000, 0.0009050500000000, 0.0004646500000000 ] - [ 0.0000797200000000, 0.0000872300000000, 0.0001854300000000 ] - [ -0.0001656200000000, 0.0005177400000000, 0.0003713600000000 ] - [ -0.0001545000000000, 0.0002008500000000, 0.0001921200000000 ] - [ -0.0001666800000000, 0.0011999600000000, 0.0003597100000000 ] - [ -0.0000567700000000, 0.0001557800000000, -0.0002437000000000 ] - [ 0.0005149700000000, -0.0002353900000000, -0.0000414900000000 ] - [ 0.0000634800000000, -0.0004905400000000, -0.0001332700000000 ] - [ 0.0002282300000000, 0.0009798300000000, -0.0001132200000000 ] - [ -0.0000888100000000, 0.0000104400000000, 0.0002822600000000 ] - [ -0.0003037500000000, 0.0002229300000000, -0.0001983200000000 ] - [ 0.0000277600000000, 0.0001431400000000, -0.0000158800000000 ] - [ -0.0000104000000000, -0.0004503600000000, 0.0002693500000000 ] - [ -0.0000279100000000, -0.0001505800000000, 0.0001425200000000 ] - [ 0.0002255500000000, -0.0000827900000000, -0.0004537100000000 ] - [ -0.0003019600000000, -0.0000933600000000, -0.0002126400000000 ] - [ 0.0002751800000000, -0.0003732200000000, -0.0000034900000000 ] - [ 0.0002050800000000, 0.0008232800000000, -0.0000842100000000 ] - [ -0.0002684100000000, 0.0003109100000000, -0.0002826300000000 ] - [ 0.0001799900000000, -0.0023136100000000, 0.0032319500000000 ] - [ -0.0001923000000000, -0.0001491300000000, -0.0001822300000000 ] - [ 0.0002524200000000, 0.0003898700000000, -0.0000625900000000 ] - [ -0.0002049800000000, -0.0001132800000000, -0.0000957900000000 ] - [ 0.0002722200000000, 0.0002495100000000, -0.0001184800000000 ] - [ 0.0003311600000000, 0.0003783500000000, -0.0000633100000000 ] - [ 0.0001220700000000, 0.0005333900000000, -0.0000713100000000 ] - [ 0.0000542100000000, -0.0004670800000000, 0.0001227000000000 ] - [ -0.0001002800000000, 0.0004801700000000, 0.0002763800000000 ] - [ -0.0000166000000000, 0.0004954300000000, -0.0001132500000000 ] - [ -0.0000431600000000, -0.0001022900000000, 0.0003811400000000 ] - [ 0.0002883800000000, 0.0009619000000000, 0.0000989800000000 ]- atom: 52 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002088600000000, -0.0005533900000000, 0.0000949900000000 ] - [ -0.0001582500000000, -0.0000016700000000, -0.0005813300000000 ] - [ 0.0001021100000000, -0.0002189500000000, 0.0000139200000000 ] - [ 0.0002658500000000, 0.0005316100000000, 0.0002144100000000 ] - [ -0.0000586000000000, 0.0003989300000000, 0.0001301400000000 ] - [ 0.0000230100000000, -0.0017939300000000, -0.0023368100000000 ] - [ -0.0000378600000000, 0.0001070400000000, -0.0002018400000000 ] - [ -0.0003496100000000, 0.0005044700000000, 0.0004208400000000 ] - [ -0.0000915300000000, 0.0000305400000000, 0.0000716900000000 ] - [ -0.0000363900000000, -0.0000196400000000, -0.0000301300000000 ] - [ -0.0000497400000000, 0.0000275600000000, 0.0001870200000000 ] - [ 0.0001345600000000, 0.0003000900000000, -0.0001563900000000 ] - [ -0.0000240300000000, -0.0003656400000000, 0.0002804700000000 ] - [ -0.0000408800000000, 0.0002767000000000, -0.0002556800000000 ] - [ -0.0005510700000000, -0.0003699900000000, 0.0005571100000000 ] - [ -0.0001809200000000, 0.0002421100000000, 0.0000197500000000 ] - [ 0.0001536300000000, 0.0005358200000000, -0.0002322100000000 ] - [ 0.0018670000000000, -0.0012047700000000, 0.0006389900000000 ] - [ -0.0016968000000000, -0.0014449800000000, 0.0002900600000000 ] - [ -0.0000117000000000, 0.0002241200000000, 0.0000254200000000 ] - [ 0.0002515700000000, -0.0000480000000000, -0.0001828900000000 ] - [ 0.0002075300000000, 0.0011985200000000, 0.0000809200000000 ] - [ -0.0000149100000000, 0.0009219200000000, -0.0003365700000000 ] - [ -0.0002553800000000, -0.0003218400000000, -0.0000159900000000 ] - [ -0.0005329100000000, -0.0015376400000000, -0.0001151500000000 ] - [ -0.0001983200000000, -0.0000723000000000, 0.0001017800000000 ] - [ -0.0002184800000000, -0.0000505000000000, -0.0005198100000000 ] - [ 0.0004646200000000, -0.0027091000000000, 0.0076353800000000 ] - [ -0.0001302900000000, 0.0005419600000000, 0.0001664800000000 ] - [ -0.0004480000000000, 0.0012288800000000, -0.0002024100000000 ] - [ 0.0035095000000000, -0.0871919300000000, 0.0486439900000000 ] - [ 0.0002847000000000, 0.0002560400000000, -0.0001290700000000 ] - [ -0.0004383700000000, -0.0004144100000000, -0.0001588900000000 ] - [ 0.0002051800000000, -0.0007855100000000, -0.0007047700000000 ] - [ -0.0001991500000000, 0.0001298700000000, -0.0005008900000000 ] - [ 0.0003816900000000, -0.0000923600000000, 0.0000311700000000 ] - [ 0.0000131600000000, -0.0034047400000000, 0.0013084700000000 ] - [ -0.0000907400000000, 0.0023424900000000, 0.0006377800000000 ] - [ -0.0002335900000000, 0.0006100600000000, -0.0005053900000000 ] - [ 0.0002199000000000, 0.0003325400000000, 0.0004081300000000 ] - [ 0.0000945800000000, -0.0003117800000000, -0.0000877300000000 ] - [ -0.0002662400000000, 0.0002743200000000, -0.0002296900000000 ] - [ 0.0002845000000000, -0.0001558900000000, 0.0002237100000000 ] - [ 0.0000264400000000, 0.0003500300000000, -0.0000920600000000 ] - [ 0.0014061600000000, -0.0007140000000000, -0.0012521100000000 ] - [ 0.0000084500000000, 0.0001174800000000, 0.0002604800000000 ] - [ 0.0001103100000000, -0.0005119100000000, 0.0003531900000000 ] - [ 0.0004004500000000, -0.0002658400000000, 0.0000008300000000 ] - [ 0.0000940300000000, -0.0002993800000000, -0.0000449100000000 ] - [ 0.0014262700000000, 0.0005819300000000, -0.0004637400000000 ] - [ -0.0001618200000000, -0.0000983000000000, 0.0002755000000000 ] - [ -0.0038239600000000, 0.1058144300000000, -0.0568232500000000 ] - [ 0.0000202200000000, -0.0002079200000000, 0.0001446300000000 ] - [ 0.0001415500000000, -0.0005592600000000, 0.0000860400000000 ] - [ 0.0000367500000000, -0.0003341400000000, 0.0000692100000000 ] - [ 0.0002004400000000, -0.0000931300000000, -0.0000434400000000 ] - [ -0.0002567200000000, -0.0002566800000000, -0.0001857200000000 ] - [ 0.0005933300000000, -0.0000198800000000, 0.0002759900000000 ] - [ -0.0018649100000000, -0.0006867400000000, -0.0008581300000000 ] - [ -0.0016534200000000, -0.0010032900000000, -0.0016885400000000 ] - [ 0.0000806500000000, -0.0000900100000000, -0.0001933800000000 ] - [ -0.0000066000000000, 0.0000405300000000, -0.0002538200000000 ] - [ 0.0003694900000000, 0.0007026800000000, 0.0001561800000000 ] - [ -0.0002388500000000, -0.0000859800000000, -0.0000952300000000 ] - [ -0.0024090900000000, -0.0017523700000000, 0.0033460100000000 ] - [ 0.0030013800000000, -0.0014185700000000, 0.0033285200000000 ] - [ 0.0001068800000000, 0.0000964100000000, -0.0002624700000000 ] - [ 0.0001239000000000, -0.0003958900000000, 0.0000738100000000 ] - [ -0.0001583400000000, 0.0004593900000000, 0.0003172000000000 ] - [ -0.0000651400000000, -0.0034867800000000, -0.0003136500000000 ] - [ -0.0001086100000000, -0.0003204200000000, 0.0004172700000000 ] - [ 0.0001635800000000, 0.0000246200000000, 0.0001756200000000 ] - [ -0.0000145200000000, 0.0003419300000000, -0.0000407500000000 ] - [ -0.0001376400000000, -0.0008323500000000, -0.0007829400000000 ] - [ 0.0003931400000000, -0.0001583900000000, 0.0001629400000000 ] - [ 0.0001652900000000, 0.0003675500000000, 0.0002731200000000 ] - [ -0.0001589800000000, -0.0001618300000000, 0.0003023000000000 ] - [ 0.0000031000000000, -0.0007300500000000, 0.0003399900000000 ] - [ -0.0002967100000000, -0.0009783000000000, 0.0005874700000000 ] - [ 0.0003400500000000, -0.0000648300000000, 0.0000854300000000 ] - [ 0.0001226100000000, 0.0000972100000000, 0.0000110200000000 ] - [ -0.0000868000000000, -0.0009263300000000, -0.0001574700000000 ] - [ -0.0002289700000000, -0.0000471800000000, 0.0002154300000000 ] - [ -0.0001291800000000, -0.0004900100000000, 0.0002288800000000 ] - [ 0.0000629300000000, -0.0000659300000000, 0.0000159200000000 ] - [ 0.0000115600000000, -0.0004299500000000, 0.0003761400000000 ] - [ 0.0000439000000000, -0.0003730300000000, -0.0001150900000000 ] - [ 0.0001293600000000, 0.0001036900000000, 0.0003677800000000 ] - [ -0.0002992200000000, -0.0002267300000000, -0.0002743000000000 ] - [ 0.0001837600000000, -0.0000512200000000, -0.0002234500000000 ] - [ 0.0000854000000000, -0.0004844200000000, 0.0001392000000000 ] - [ -0.0003335600000000, 0.0000112700000000, -0.0002066600000000 ] - [ -0.0000881000000000, 0.0023124800000000, -0.0033221600000000 ] - [ -0.0000089900000000, 0.0000605900000000, -0.0001317500000000 ] - [ 0.0002105800000000, 0.0000387500000000, -0.0001683100000000 ] - [ -0.0002270800000000, 0.0003848500000000, 0.0001265600000000 ] - [ 0.0000835900000000, -0.0002632100000000, 0.0000247500000000 ] - [ 0.0005250800000000, -0.0000771900000000, 0.0001062100000000 ] - [ 0.0000642400000000, -0.0001407900000000, -0.0000522200000000 ] - [ 0.0002352000000000, 0.0001331600000000, -0.0000667800000000 ] - [ -0.0002537500000000, 0.0003364500000000, 0.0000612800000000 ] - [ 0.0000317800000000, 0.0000335600000000, 0.0001379600000000 ] - [ -0.0001185800000000, -0.0003652000000000, 0.0003209800000000 ] - [ 0.0001872300000000, -0.0008881600000000, 0.0002495100000000 ]- atom: 52 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0000708500000000, -0.0002733200000000, 0.0000108300000000 ] - [ -0.0000703100000000, 0.0002279200000000, -0.0004160400000000 ] - [ 0.0000999500000000, -0.0000450500000000, -0.0000585300000000 ] - [ -0.0000993300000000, 0.0001497900000000, -0.0000338600000000 ] - [ -0.0001526200000000, 0.0003064300000000, 0.0001585600000000 ] - [ 0.0001116100000000, 0.0012148700000000, 0.0015317600000000 ] - [ 0.0000292200000000, 0.0000284500000000, -0.0001821700000000 ] - [ 0.0000752100000000, 0.0000690700000000, 0.0001504300000000 ] - [ -0.0001035600000000, -0.0001052200000000, 0.0000830100000000 ] - [ -0.0000461100000000, -0.0001807800000000, 0.0000162900000000 ] - [ -0.0000338000000000, -0.0001491000000000, 0.0002465100000000 ] - [ 0.0001084700000000, 0.0001640600000000, -0.0001867700000000 ] - [ 0.0009523100000000, 0.0002836900000000, 0.0016047800000000 ] - [ -0.0000097000000000, 0.0001696200000000, -0.0002563700000000 ] - [ -0.0007871300000000, -0.0004800200000000, 0.0012742400000000 ] - [ -0.0002052900000000, 0.0001740300000000, 0.0000143700000000 ] - [ 0.0001350200000000, 0.0003135800000000, -0.0002671800000000 ] - [ 0.0015027100000000, 0.0002329700000000, 0.0029502600000000 ] - [ -0.0005000100000000, -0.0001128200000000, 0.0020460600000000 ] - [ -0.0000189000000000, 0.0000588100000000, 0.0000462900000000 ] - [ 0.0000271500000000, -0.0000371500000000, -0.0002959900000000 ] - [ 0.0001115000000000, 0.0007387600000000, -0.0001124700000000 ] - [ 0.0000392800000000, 0.0003802400000000, -0.0003879700000000 ] - [ 0.0002297900000000, -0.0002132300000000, 0.0001413000000000 ] - [ -0.0006376100000000, -0.0009782400000000, -0.0003302700000000 ] - [ -0.0002857900000000, -0.0002097700000000, -0.0000844500000000 ] - [ -0.0000438400000000, 0.0001507700000000, -0.0005887200000000 ] - [ 0.0001903400000000, -0.0001279200000000, 0.0001236300000000 ] - [ 0.0000617600000000, 0.0000052900000000, 0.0001452500000000 ] - [ -0.0003576900000000, 0.0008512600000000, -0.0000848400000000 ] - [ -0.0020445200000000, -0.0479062300000000, 0.0482051800000000 ] - [ 0.0003983800000000, 0.0002425900000000, 0.0000286400000000 ] - [ -0.0004888400000000, -0.0006062800000000, -0.0001359000000000 ] - [ -0.0004624000000000, -0.0003125800000000, -0.0002930600000000 ] - [ -0.0000945000000000, -0.0000596500000000, -0.0003527800000000 ] - [ 0.0003964300000000, -0.0002336400000000, 0.0001868800000000 ] - [ -0.0001860000000000, -0.0006044800000000, -0.0013629300000000 ] - [ -0.0003976100000000, 0.0015035700000000, -0.0001908800000000 ] - [ -0.0002599200000000, 0.0004472700000000, -0.0005594500000000 ] - [ 0.0003643700000000, 0.0000728000000000, 0.0000422700000000 ] - [ 0.0000627800000000, -0.0001918600000000, -0.0000802900000000 ] - [ -0.0001289000000000, 0.0001146700000000, -0.0003137700000000 ] - [ 0.0002575600000000, -0.0001635000000000, 0.0002697100000000 ] - [ 0.0000065900000000, 0.0003614000000000, 0.0003462100000000 ] - [ -0.0004101100000000, 0.0016956100000000, -0.0005592500000000 ] - [ 0.0003179300000000, 0.0002631900000000, 0.0000987700000000 ] - [ -0.0000445100000000, -0.0004712500000000, 0.0001112500000000 ] - [ 0.0004222500000000, -0.0002060500000000, 0.0000300000000000 ] - [ 0.0000911500000000, -0.0002207500000000, -0.0000134700000000 ] - [ 0.0000361500000000, -0.0002417300000000, -0.0008072200000000 ] - [ -0.0001600400000000, -0.0000620100000000, 0.0002722900000000 ] - [ 0.0023954500000000, 0.0529026300000000, -0.0604972600000000 ] - [ -0.0000223000000000, -0.0000887000000000, 0.0005142300000000 ] - [ 0.0000582300000000, -0.0005509300000000, 0.0003831200000000 ] - [ 0.0000021800000000, -0.0003228500000000, 0.0000308100000000 ] - [ 0.0001961300000000, -0.0000508700000000, -0.0000313600000000 ] - [ -0.0002825300000000, -0.0002211300000000, -0.0002086700000000 ] - [ 0.0003053600000000, -0.0003785800000000, -0.0001685100000000 ] - [ -0.0030280800000000, 0.0005844900000000, 0.0004626900000000 ] - [ 0.0002236900000000, 0.0011466600000000, -0.0010468000000000 ] - [ 0.0000167100000000, -0.0002588100000000, -0.0002753700000000 ] - [ -0.0001601300000000, 0.0001289100000000, -0.0003444600000000 ] - [ 0.0003638300000000, 0.0004708700000000, 0.0002243500000000 ] - [ -0.0002187600000000, 0.0000375500000000, -0.0000068100000000 ] - [ -0.0039954300000000, -0.0081604000000000, 0.0039789900000000 ] - [ 0.0047413000000000, -0.0044141000000000, 0.0016713100000000 ] - [ 0.0001060100000000, 0.0000663300000000, -0.0004342400000000 ] - [ 0.0001607600000000, -0.0002626900000000, 0.0000279700000000 ] - [ -0.0001263500000000, 0.0004215500000000, 0.0003937300000000 ] - [ 0.0000624100000000, 0.0006806700000000, -0.0003726300000000 ] - [ -0.0001682300000000, -0.0003560800000000, 0.0004451100000000 ] - [ -0.0001547600000000, 0.0002500000000000, 0.0000145400000000 ] - [ 0.0001754300000000, 0.0000023200000000, -0.0000806700000000 ] - [ -0.0000995300000000, 0.0000595800000000, -0.0002872700000000 ] - [ 0.0002103000000000, -0.0000242700000000, 0.0001399600000000 ] - [ 0.0002049000000000, 0.0002920600000000, 0.0000410100000000 ] - [ -0.0001039700000000, -0.0000319700000000, 0.0002922400000000 ] - [ 0.0000956700000000, -0.0006713400000000, 0.0004527800000000 ] - [ -0.0001343600000000, -0.0004558300000000, 0.0001517500000000 ] - [ 0.0004631100000000, -0.0000670900000000, 0.0000868500000000 ] - [ 0.0001356900000000, 0.0000189300000000, 0.0000125100000000 ] - [ -0.0000933000000000, -0.0001230000000000, -0.0001126200000000 ] - [ -0.0001273400000000, 0.0000811900000000, 0.0003095100000000 ] - [ -0.0002056400000000, -0.0003075800000000, 0.0001924100000000 ] - [ 0.0000364000000000, 0.0000836700000000, 0.0000155400000000 ] - [ 0.0000090100000000, -0.0004508700000000, 0.0002829400000000 ] - [ 0.0000330100000000, -0.0001532200000000, 0.0000567400000000 ] - [ 0.0002945400000000, 0.0000032700000000, -0.0005884500000000 ] - [ -0.0003223300000000, -0.0000822700000000, -0.0001674600000000 ] - [ 0.0001888800000000, -0.0000755700000000, -0.0002266100000000 ] - [ 0.0001771200000000, 0.0000342900000000, 0.0000679400000000 ] - [ -0.0003574800000000, 0.0001169900000000, -0.0001903000000000 ] - [ 0.0003599500000000, 0.0046241300000000, 0.0016857200000000 ] - [ -0.0000192100000000, -0.0000366000000000, -0.0001264200000000 ] - [ 0.0002421100000000, 0.0001144000000000, -0.0001334200000000 ] - [ -0.0002377400000000, 0.0002421300000000, 0.0002201900000000 ] - [ 0.0000233200000000, -0.0001910400000000, 0.0000286300000000 ] - [ 0.0005685900000000, 0.0000025900000000, 0.0000995900000000 ] - [ 0.0000665800000000, 0.0001490100000000, -0.0000573400000000 ] - [ 0.0002727200000000, -0.0001367700000000, 0.0000378000000000 ] - [ -0.0002320000000000, 0.0003835100000000, 0.0001367200000000 ] - [ 0.0000325700000000, 0.0002126400000000, 0.0000320900000000 ] - [ -0.0000686200000000, -0.0002370800000000, 0.0003481300000000 ] - [ 0.0000080900000000, -0.0010287900000000, 0.0003386000000000 ]- atom: 52 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0001391500000000, -0.0000730900000000, 0.0002753300000000 ] - [ 0.0000045200000000, -0.0005487600000000, 0.0002924200000000 ] - [ -0.0001373700000000, -0.0002302300000000, 0.0003108900000000 ] - [ 0.0000343100000000, 0.0001720700000000, -0.0000888600000000 ] - [ -0.0000577400000000, 0.0000397600000000, 0.0001278000000000 ] - [ -0.0001114300000000, -0.0009737400000000, -0.0018166200000000 ] - [ -0.0000393100000000, -0.0002203700000000, -0.0002160000000000 ] - [ -0.0001124600000000, 0.0002052400000000, 0.0001014800000000 ] - [ -0.0001070000000000, -0.0002417700000000, 0.0002041600000000 ] - [ -0.0000200900000000, -0.0001411100000000, -0.0001382800000000 ] - [ -0.0000024600000000, -0.0001257300000000, 0.0000055300000000 ] - [ -0.0001742000000000, 0.0001584200000000, 0.0000633500000000 ] - [ -0.0011765600000000, 0.0000580500000000, -0.0013097200000000 ] - [ -0.0000000300000000, 0.0000217700000000, -0.0001418500000000 ] - [ 0.0008355000000000, 0.0002589600000000, -0.0017393300000000 ] - [ 0.0001682900000000, 0.0001015400000000, 0.0002371000000000 ] - [ 0.0000357300000000, -0.0000683800000000, -0.0000833500000000 ] - [ -0.0014302200000000, 0.0001174800000000, -0.0027119800000000 ] - [ 0.0006688700000000, -0.0001288700000000, -0.0024014800000000 ] - [ 0.0000894200000000, -0.0004060500000000, 0.0002035200000000 ] - [ 0.0001419500000000, 0.0002845900000000, -0.0000571400000000 ] - [ -0.0000437700000000, -0.0003931600000000, 0.0003587100000000 ] - [ 0.0001346100000000, -0.0006223100000000, 0.0000330400000000 ] - [ -0.0001525200000000, -0.0001293300000000, 0.0001119900000000 ] - [ -0.0001980200000000, -0.0004067200000000, 0.0001595400000000 ] - [ -0.0002197300000000, -0.0004028900000000, -0.0001804800000000 ] - [ -0.0001008200000000, -0.0003656600000000, -0.0002120900000000 ] - [ 0.0005665700000000, -0.0002854000000000, 0.0000526300000000 ] - [ -0.0002072100000000, 0.0002091400000000, -0.0009478700000000 ] - [ -0.0004774500000000, 0.0005326800000000, -0.0000832000000000 ] - [ 0.0012943200000000, 0.0500774600000000, -0.0491115700000000 ] - [ 0.0003613300000000, 0.0001611100000000, 0.0001240200000000 ] - [ -0.0003450900000000, -0.0007793000000000, -0.0000307000000000 ] - [ -0.0000556600000000, -0.0002910600000000, 0.0000349300000000 ] - [ -0.0000470600000000, -0.0001541800000000, -0.0004478300000000 ] - [ 0.0003635800000000, -0.0001696700000000, -0.0000355400000000 ] - [ 0.0000540400000000, 0.0008402800000000, 0.0005125000000000 ] - [ -0.0004433200000000, -0.0001165000000000, 0.0000184500000000 ] - [ -0.0002468000000000, 0.0001643200000000, 0.0002937000000000 ] - [ 0.0003978400000000, 0.0003296700000000, 0.0001096900000000 ] - [ 0.0000775300000000, 0.0001427000000000, -0.0001909600000000 ] - [ -0.0000730300000000, -0.0000271700000000, -0.0000001200000000 ] - [ 0.0002139200000000, 0.0000927100000000, 0.0000784500000000 ] - [ -0.0000061400000000, 0.0005200700000000, 0.0003006800000000 ] - [ 0.0000898300000000, -0.0016435500000000, 0.0010506900000000 ] - [ -0.0004813600000000, 0.0002040900000000, 0.0006031000000000 ] - [ -0.0003092500000000, -0.0003438800000000, 0.0002259700000000 ] - [ 0.0004327000000000, -0.0000954600000000, 0.0000145700000000 ] - [ 0.0000953200000000, -0.0001698200000000, -0.0001067300000000 ] - [ 0.0001047200000000, 0.0002830600000000, 0.0005308200000000 ] - [ -0.0001555700000000, 0.0000255000000000, 0.0002219400000000 ] - [ -0.0026323800000000, -0.0549121000000000, 0.0611181300000000 ] - [ 0.0001118700000000, 0.0001659700000000, -0.0005147100000000 ] - [ -0.0000569700000000, -0.0003325000000000, 0.0002664600000000 ] - [ 0.0000138100000000, -0.0002024100000000, -0.0000037100000000 ] - [ 0.0001607300000000, 0.0000643800000000, -0.0000608800000000 ] - [ -0.0003173900000000, -0.0000989400000000, -0.0002812200000000 ] - [ 0.0001579100000000, -0.0000514000000000, -0.0000617300000000 ] - [ 0.0033248600000000, -0.0002477300000000, -0.0003838700000000 ] - [ -0.0008254800000000, -0.0008332100000000, 0.0005500200000000 ] - [ 0.0000746000000000, 0.0001859300000000, 0.0002757500000000 ] - [ -0.0000411300000000, -0.0002183300000000, 0.0000336900000000 ] - [ 0.0001000200000000, -0.0000405200000000, -0.0004535800000000 ] - [ -0.0002141300000000, 0.0002313800000000, 0.0000384500000000 ] - [ 0.0044118700000000, 0.0082681000000000, -0.0041315000000000 ] - [ -0.0039259500000000, 0.0047481800000000, -0.0016166900000000 ] - [ 0.0000801500000000, 0.0003238800000000, 0.0003154700000000 ] - [ 0.0001307500000000, -0.0000729800000000, 0.0000281600000000 ] - [ -0.0002284300000000, 0.0003941000000000, -0.0000590400000000 ] - [ -0.0000485400000000, -0.0001617200000000, 0.0004007400000000 ] - [ 0.0000057100000000, -0.0001112200000000, 0.0002566300000000 ] - [ 0.0006268600000000, -0.0001828300000000, 0.0003327800000000 ] - [ -0.0000333800000000, -0.0000528000000000, -0.0001881400000000 ] - [ -0.0001015200000000, 0.0000391600000000, -0.0000208300000000 ] - [ 0.0002585200000000, -0.0000474700000000, 0.0002074400000000 ] - [ -0.0002037700000000, 0.0005908500000000, 0.0006034000000000 ] - [ -0.0002118200000000, 0.0000679900000000, 0.0002032900000000 ] - [ -0.0002542600000000, 0.0011271700000000, 0.0002514600000000 ] - [ -0.0002190700000000, -0.0003535000000000, 0.0001791800000000 ] - [ 0.0003932800000000, -0.0002348300000000, -0.0000424100000000 ] - [ 0.0000510100000000, -0.0004079500000000, -0.0001317800000000 ] - [ 0.0002331300000000, 0.0001737200000000, -0.0001572700000000 ] - [ -0.0001865900000000, -0.0001176800000000, 0.0001847700000000 ] - [ -0.0002271100000000, 0.0000390700000000, -0.0001611200000000 ] - [ 0.0000534700000000, -0.0000086800000000, -0.0000166500000000 ] - [ -0.0000086500000000, -0.0004310400000000, 0.0003635700000000 ] - [ -0.0000171000000000, -0.0003711000000000, -0.0000297600000000 ] - [ 0.0000682800000000, 0.0000153500000000, 0.0004647600000000 ] - [ -0.0002775400000000, -0.0002376600000000, -0.0003231400000000 ] - [ 0.0002731700000000, -0.0003544100000000, -0.0000030200000000 ] - [ 0.0001146000000000, 0.0003019800000000, -0.0000120600000000 ] - [ -0.0002418200000000, 0.0002027000000000, -0.0002987500000000 ] - [ -0.0002960500000000, -0.0047169200000000, -0.0015965800000000 ] - [ -0.0001826500000000, -0.0000504700000000, -0.0001878700000000 ] - [ 0.0002208700000000, 0.0003156600000000, -0.0000970500000000 ] - [ -0.0001951000000000, 0.0000242700000000, -0.0001888300000000 ] - [ 0.0003336300000000, 0.0001775400000000, -0.0001205100000000 ] - [ 0.0002876300000000, 0.0002978400000000, -0.0000547600000000 ] - [ 0.0001195000000000, 0.0002428400000000, -0.0000619200000000 ] - [ 0.0000194500000000, -0.0002012800000000, 0.0000194600000000 ] - [ -0.0001220600000000, 0.0004308600000000, 0.0002000100000000 ] - [ -0.0000169000000000, 0.0003131900000000, -0.0000048400000000 ] - [ -0.0000942700000000, -0.0002310700000000, 0.0003539400000000 ] - [ 0.0004603000000000, 0.0010941200000000, 0.0000113200000000 ]- atom: 53 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ 0.0050705100000000, 0.0029078100000000, 0.0032567300000000 ] - [ -0.0007949900000000, 0.0002204900000000, 0.0008032800000000 ] - [ -0.0005940100000000, -0.0003013400000000, -0.0005551800000000 ] - [ -0.0002068900000000, 0.0001712600000000, 0.0000791400000000 ] - [ -0.0001266100000000, 0.0001863500000000, 0.0001646100000000 ] - [ 0.0016325400000000, -0.0006692800000000, -0.0017789000000000 ] - [ -0.0000276800000000, -0.0001019200000000, -0.0002130800000000 ] - [ 0.0002277200000000, 0.0001309500000000, 0.0000634500000000 ] - [ -0.0000470700000000, -0.0002438300000000, 0.0001192700000000 ] - [ -0.0000334700000000, -0.0001481700000000, -0.0000573400000000 ] - [ -0.0000327900000000, -0.0001457400000000, 0.0001379500000000 ] - [ -0.0000244800000000, 0.0001520300000000, -0.0000678000000000 ] - [ -0.0000970200000000, 0.0001626000000000, 0.0001515200000000 ] - [ 0.0000185700000000, 0.0001472200000000, -0.0001900400000000 ] - [ 0.0000217300000000, -0.0000968700000000, -0.0002030100000000 ] - [ -0.0000205400000000, 0.0001343600000000, 0.0001224100000000 ] - [ 0.0005470200000000, -0.0023813000000000, -0.0018221200000000 ] - [ -0.0001626100000000, 0.0002115100000000, 0.0000454700000000 ] - [ 0.0002458100000000, -0.0000302900000000, -0.0001754700000000 ] - [ 0.0000724000000000, 0.0021153300000000, 0.0016521400000000 ] - [ 0.0000311600000000, 0.0000431600000000, -0.0001735500000000 ] - [ 0.0000517400000000, 0.0001721300000000, 0.0001206900000000 ] - [ 0.0000640100000000, -0.0001792700000000, -0.0001699400000000 ] - [ -0.0000436400000000, -0.0001052900000000, 0.0001487200000000 ] - [ -0.0005555000000000, -0.0008011900000000, -0.0000736700000000 ] - [ -0.0015300100000000, -0.0002888700000000, -0.0000996800000000 ] - [ 0.0155948500000000, -0.0020012500000000, 0.0000246400000000 ] - [ 0.0003754700000000, -0.0001754900000000, 0.0002403500000000 ] - [ -0.0000605300000000, 0.0001209100000000, -0.0006520200000000 ] - [ -0.0003620600000000, 0.0006615500000000, -0.0001075200000000 ] - [ -0.0002232000000000, 0.0001773900000000, -0.0000235400000000 ] - [ -0.0001073900000000, 0.0002058900000000, 0.0000897800000000 ] - [ -0.0004819200000000, -0.0007000900000000, -0.0000572700000000 ] - [ 0.0011781600000000, -0.0002903500000000, -0.0001502500000000 ] - [ -0.0000893400000000, -0.0001070300000000, -0.0004035300000000 ] - [ 0.0003807700000000, -0.0001991800000000, 0.0000874600000000 ] - [ -0.0000761200000000, 0.0001079300000000, -0.0003984100000000 ] - [ -0.0004964300000000, 0.0006389500000000, -0.0001126000000000 ] - [ -0.0002711600000000, 0.0003452900000000, -0.0001485600000000 ] - [ 0.0004456800000000, 0.0002099700000000, 0.0000835300000000 ] - [ -0.0000100100000000, -0.0003734100000000, -0.0000282200000000 ] - [ -0.0002389100000000, 0.0001934200000000, -0.0002196800000000 ] - [ 0.0002837600000000, -0.0082449000000000, -0.0001585700000000 ] - [ 0.0000034500000000, 0.0004377600000000, 0.0003313900000000 ] - [ -0.0003365300000000, -0.0000812500000000, -0.0003235600000000 ] - [ -0.0001064800000000, 0.0002791500000000, 0.0004221100000000 ] - [ -0.0000618500000000, -0.0004952300000000, 0.0004408400000000 ] - [ 0.0016754300000000, 0.0005903200000000, 0.0001067600000000 ] - [ 0.0002632000000000, -0.0000461200000000, -0.0002065900000000 ] - [ 0.0001288900000000, 0.0000571200000000, -0.0000474300000000 ] - [ 0.0004462000000000, 0.0001284000000000, 0.0004238100000000 ] - [ -0.0002428600000000, -0.0001067100000000, -0.0000632900000000 ] - [ -0.0231899700000000, -0.0012284700000000, -0.0012829700000000 ] - [ 0.0001303100000000, -0.0004374600000000, 0.0003162500000000 ] - [ 0.0001772700000000, -0.0002722100000000, 0.0000182700000000 ] - [ 0.0012067100000000, -0.0005984600000000, -0.0001973900000000 ] - [ 0.0002516000000000, -0.0002586100000000, -0.0003789600000000 ] - [ 0.0002079500000000, -0.0001609100000000, -0.0001334900000000 ] - [ 0.0001442800000000, 0.0001992600000000, 0.0000344700000000 ] - [ -0.0002375600000000, 0.0001282900000000, -0.0004441100000000 ] - [ 0.0000446000000000, -0.0000538100000000, 0.0000855900000000 ] - [ 0.0005605600000000, -0.0005000200000000, 0.0000191900000000 ] - [ 0.0008527700000000, 0.0003199100000000, -0.0001415900000000 ] - [ -0.0000455600000000, 0.0001662800000000, 0.0000423100000000 ] - [ 0.0001421000000000, 0.0000713500000000, -0.0003413100000000 ] - [ 0.0004400100000000, 0.0001464000000000, -0.0001430600000000 ] - [ 0.0001176800000000, 0.0001528200000000, 0.0000911900000000 ] - [ 0.0000810500000000, -0.0000227800000000, -0.0000385000000000 ] - [ -0.0021036500000000, 0.0006508800000000, -0.0000737900000000 ] - [ -0.0000059400000000, 0.0002508100000000, -0.0000425900000000 ] - [ 0.0004236300000000, 0.0089683400000000, 0.0005835000000000 ] - [ 0.0002689200000000, 0.0000869700000000, 0.0003172400000000 ] - [ 0.0001544900000000, 0.0000085000000000, -0.0001770500000000 ] - [ -0.0001143900000000, 0.0000526600000000, -0.0001436500000000 ] - [ 0.0002456500000000, -0.0000146000000000, 0.0001724200000000 ] - [ 0.0000208300000000, 0.0005244300000000, 0.0003353800000000 ] - [ -0.0001481200000000, 0.0000220300000000, 0.0002457000000000 ] - [ -0.0000776600000000, 0.0002312900000000, 0.0003517400000000 ] - [ -0.0001754200000000, -0.0004079800000000, 0.0001658900000000 ] - [ 0.0003052000000000, -0.0000318200000000, 0.0000641800000000 ] - [ 0.0001569400000000, -0.0002057100000000, -0.0000790600000000 ] - [ 0.0000359400000000, 0.0000715800000000, -0.0001749600000000 ] - [ -0.0001990100000000, 0.0000359800000000, 0.0002572600000000 ] - [ -0.0002066500000000, -0.0001509400000000, 0.0000095700000000 ] - [ 0.0000538700000000, 0.0000377600000000, 0.0000036700000000 ] - [ -0.0009464000000000, -0.0005656100000000, 0.0003636700000000 ] - [ -0.0000587800000000, -0.0002768100000000, 0.0000175700000000 ] - [ 0.0001082400000000, -0.0001321600000000, -0.0000997000000000 ] - [ -0.0003130100000000, -0.0002183500000000, -0.0002589400000000 ] - [ 0.0002405800000000, -0.0002237300000000, -0.0000869200000000 ] - [ 0.0001342800000000, 0.0001746200000000, 0.0000449600000000 ] - [ -0.0003061200000000, 0.0001612700000000, -0.0002495300000000 ] - [ 0.0000452200000000, -0.0000347100000000, -0.0000167300000000 ] - [ -0.0000699600000000, -0.0000317100000000, -0.0001536300000000 ] - [ 0.0003525200000000, 0.0002054300000000, -0.0001686200000000 ] - [ -0.0008840800000000, 0.0000054300000000, 0.0001100400000000 ] - [ 0.0001713000000000, -0.0000211800000000, -0.0000344200000000 ] - [ 0.0004543100000000, 0.0001474700000000, 0.0000182800000000 ] - [ 0.0000748200000000, 0.0002053400000000, -0.0000696400000000 ] - [ 0.0002112200000000, -0.0002151900000000, 0.0001252200000000 ] - [ -0.0001953500000000, 0.0003775900000000, 0.0001653300000000 ] - [ 0.0000060900000000, 0.0002599200000000, 0.0000074700000000 ] - [ -0.0000710500000000, -0.0002336800000000, 0.0003519900000000 ] - [ 0.0002307500000000, 0.0000393900000000, 0.0001770600000000 ]- atom: 53 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0053815800000000, -0.0033693200000000, -0.0030561300000000 ] - [ 0.0007133000000000, -0.0005379000000000, -0.0009194600000000 ] - [ 0.0005840600000000, 0.0000376100000000, 0.0008190400000000 ] - [ 0.0001418500000000, 0.0001496000000000, -0.0002039700000000 ] - [ -0.0000829300000000, 0.0001620000000000, 0.0001250100000000 ] - [ -0.0016222200000000, 0.0008226800000000, 0.0013401400000000 ] - [ 0.0000181200000000, -0.0000884600000000, -0.0001838500000000 ] - [ -0.0002638700000000, 0.0001433900000000, 0.0001846300000000 ] - [ -0.0001634800000000, -0.0001002400000000, 0.0001668000000000 ] - [ -0.0000333600000000, -0.0001706000000000, -0.0000669600000000 ] - [ -0.0000021400000000, -0.0001259400000000, 0.0001118700000000 ] - [ -0.0000408400000000, 0.0001700900000000, -0.0000530800000000 ] - [ -0.0001132100000000, 0.0001832800000000, 0.0001344700000000 ] - [ -0.0000280700000000, 0.0000465900000000, -0.0002084500000000 ] - [ -0.0000312000000000, -0.0000958400000000, -0.0001982900000000 ] - [ -0.0000156900000000, 0.0001404100000000, 0.0001295100000000 ] - [ -0.0003722200000000, 0.0026441700000000, 0.0014695100000000 ] - [ 0.0002317300000000, 0.0001290000000000, 0.0002028300000000 ] - [ -0.0000755500000000, -0.0002180800000000, -0.0001769800000000 ] - [ -0.0000069500000000, -0.0024447900000000, -0.0014045100000000 ] - [ 0.0001466800000000, 0.0002014600000000, -0.0001770700000000 ] - [ 0.0000182700000000, 0.0001756000000000, 0.0001300200000000 ] - [ 0.0001072100000000, -0.0000615500000000, -0.0001802500000000 ] - [ 0.0001068400000000, -0.0002434400000000, 0.0001006200000000 ] - [ -0.0002786300000000, -0.0005840400000000, -0.0000938600000000 ] - [ 0.0010236700000000, -0.0003203100000000, -0.0001623900000000 ] - [ -0.0157239500000000, 0.0013561300000000, -0.0007821500000000 ] - [ 0.0003875400000000, -0.0002330600000000, -0.0000865500000000 ] - [ -0.0000811400000000, 0.0000901400000000, -0.0001514400000000 ] - [ -0.0004725000000000, 0.0007281700000000, -0.0000588500000000 ] - [ -0.0002806300000000, 0.0004367600000000, -0.0002389000000000 ] - [ 0.0008668500000000, 0.0001961200000000, 0.0000580300000000 ] - [ -0.0003559500000000, -0.0006840700000000, -0.0001127300000000 ] - [ -0.0016800300000000, -0.0003460600000000, -0.0000635300000000 ] - [ -0.0000538500000000, -0.0001009800000000, -0.0004007100000000 ] - [ 0.0003792900000000, -0.0002041300000000, 0.0000636400000000 ] - [ -0.0000667700000000, 0.0001050400000000, -0.0004019700000000 ] - [ -0.0003387500000000, 0.0007486200000000, -0.0000555000000000 ] - [ -0.0002343600000000, 0.0002701500000000, -0.0001155100000000 ] - [ 0.0003133600000000, 0.0001913100000000, 0.0000406400000000 ] - [ 0.0001487800000000, 0.0003103400000000, -0.0002396800000000 ] - [ 0.0000348400000000, -0.0001096500000000, -0.0000965200000000 ] - [ 0.0001899700000000, 0.0081983400000000, 0.0004912800000000 ] - [ -0.0000035000000000, 0.0004463500000000, 0.0003168000000000 ] - [ 0.0000168800000000, 0.0001197400000000, 0.0008179000000000 ] - [ -0.0000580800000000, 0.0001877000000000, 0.0002815600000000 ] - [ -0.0002910900000000, -0.0003165900000000, -0.0001053400000000 ] - [ -0.0008196200000000, -0.0008961700000000, -0.0000622600000000 ] - [ -0.0000774100000000, -0.0003501200000000, 0.0000929400000000 ] - [ 0.0000103700000000, -0.0000036300000000, -0.0002237700000000 ] - [ -0.0007634700000000, -0.0001652800000000, 0.0000672100000000 ] - [ -0.0001900700000000, -0.0001572500000000, 0.0000937400000000 ] - [ 0.0233273100000000, 0.0018775400000000, 0.0013998100000000 ] - [ -0.0001295700000000, -0.0004461300000000, 0.0003321900000000 ] - [ -0.0001629000000000, -0.0002498000000000, 0.0000086600000000 ] - [ -0.0008478500000000, 0.0006061500000000, 0.0001060700000000 ] - [ -0.0008490400000000, -0.0000612200000000, -0.0001137900000000 ] - [ 0.0002553100000000, -0.0002720900000000, -0.0000970500000000 ] - [ 0.0001494500000000, 0.0001401100000000, 0.0000219300000000 ] - [ -0.0003617500000000, 0.0001926600000000, -0.0000469200000000 ] - [ 0.0000459300000000, -0.0000193400000000, -0.0000870000000000 ] - [ -0.0007592400000000, 0.0003708000000000, -0.0003151000000000 ] - [ -0.0003890800000000, 0.0001081800000000, -0.0000886500000000 ] - [ -0.0003875000000000, 0.0000975300000000, -0.0000132500000000 ] - [ 0.0002146500000000, -0.0000826900000000, 0.0002478900000000 ] - [ 0.0004143400000000, 0.0001579000000000, 0.0001903000000000 ] - [ 0.0000691900000000, 0.0002349900000000, -0.0002092100000000 ] - [ 0.0002132400000000, -0.0003215000000000, 0.0000945400000000 ] - [ 0.0017527900000000, 0.0001454000000000, 0.0003916200000000 ] - [ 0.0000205000000000, 0.0002745100000000, 0.0000700500000000 ] - [ -0.0005848500000000, -0.0094155900000000, 0.0001043000000000 ] - [ 0.0002031900000000, -0.0000156000000000, 0.0000335400000000 ] - [ -0.0000160500000000, -0.0000583500000000, -0.0000946200000000 ] - [ -0.0000877800000000, 0.0000319500000000, -0.0001721800000000 ] - [ 0.0002269900000000, -0.0000569500000000, 0.0001772100000000 ] - [ -0.0000207300000000, 0.0003605100000000, 0.0003120100000000 ] - [ -0.0001677400000000, 0.0000131600000000, 0.0002460700000000 ] - [ -0.0000855200000000, 0.0002334300000000, 0.0003505900000000 ] - [ -0.0001790300000000, -0.0004037700000000, 0.0001680100000000 ] - [ 0.0005488000000000, -0.0002709100000000, -0.0000150100000000 ] - [ 0.0000295700000000, -0.0001822800000000, -0.0000388900000000 ] - [ 0.0001031800000000, -0.0000214800000000, -0.0000974000000000 ] - [ -0.0001213300000000, -0.0000716400000000, 0.0002384200000000 ] - [ -0.0002260200000000, -0.0001165600000000, 0.0000209100000000 ] - [ 0.0000366500000000, 0.0000353600000000, -0.0000043900000000 ] - [ 0.0009472400000000, -0.0003100100000000, 0.0002807900000000 ] - [ 0.0000753900000000, -0.0002720200000000, 0.0000080900000000 ] - [ 0.0002511400000000, 0.0001446700000000, 0.0000105200000000 ] - [ -0.0002823100000000, -0.0001007300000000, -0.0002296000000000 ] - [ 0.0002226300000000, -0.0002060500000000, -0.0001434600000000 ] - [ 0.0001596100000000, 0.0001631200000000, 0.0000109700000000 ] - [ -0.0002930300000000, 0.0001573000000000, -0.0002422200000000 ] - [ 0.0000451900000000, -0.0000421500000000, 0.0000164200000000 ] - [ -0.0001320300000000, -0.0000520900000000, -0.0001615900000000 ] - [ 0.0001097500000000, 0.0002282100000000, -0.0000615600000000 ] - [ 0.0004425300000000, 0.0002952500000000, -0.0001342300000000 ] - [ 0.0001860500000000, 0.0000080900000000, -0.0000560400000000 ] - [ 0.0004003300000000, 0.0001545300000000, 0.0000280000000000 ] - [ 0.0001121300000000, 0.0001821800000000, -0.0000495300000000 ] - [ 0.0000844600000000, -0.0001188400000000, -0.0000671000000000 ] - [ -0.0001588300000000, 0.0004346100000000, 0.0001686700000000 ] - [ 0.0000096600000000, 0.0002611900000000, 0.0000207000000000 ] - [ -0.0000927500000000, -0.0002340200000000, 0.0003510500000000 ] - [ 0.0002412700000000, 0.0000291900000000, 0.0001719300000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024197500000000, 0.0008320000000000, 0.0015786000000000 ] - [ -0.0003276500000000, 0.0011557000000000, 0.0000324300000000 ] - [ 0.0004463000000000, 0.0013552600000000, 0.0002968200000000 ] - [ -0.0001631300000000, 0.0004747000000000, 0.0002645900000000 ] - [ -0.0003054600000000, 0.0000838100000000, -0.0002610100000000 ] - [ -0.0001432000000000, -0.0003085600000000, 0.0000478000000000 ] - [ 0.0000446500000000, -0.0000982300000000, -0.0003546700000000 ] - [ -0.0000058700000000, 0.0005117800000000, 0.0005833800000000 ] - [ -0.0002283600000000, -0.0003969800000000, 0.0002229200000000 ] - [ -0.0001614400000000, -0.0003050900000000, -0.0001048100000000 ] - [ 0.0001214900000000, -0.0002797100000000, 0.0000865800000000 ] - [ 0.0000284800000000, -0.0000208300000000, -0.0000322900000000 ] - [ -0.0000570400000000, -0.0000311500000000, 0.0001186500000000 ] - [ 0.0000820000000000, -0.0001071600000000, -0.0001200700000000 ] - [ -0.0000271000000000, -0.0003687700000000, -0.0004601900000000 ] - [ -0.0000702100000000, -0.0000444700000000, 0.0000881500000000 ] - [ -0.0003078600000000, -0.0010019000000000, -0.0008194600000000 ] - [ 0.0005645700000000, 0.0005899000000000, 0.0003001200000000 ] - [ -0.0003698400000000, 0.0001579400000000, -0.0003445200000000 ] - [ 0.0006497700000000, -0.0012786500000000, -0.0004617800000000 ] - [ 0.0003929500000000, -0.0005162700000000, -0.0000559500000000 ] - [ 0.0001048800000000, -0.0001555700000000, 0.0000829600000000 ] - [ 0.0000210100000000, -0.0004322900000000, -0.0002501900000000 ] - [ -0.0002942000000000, -0.0009837000000000, 0.0001846600000000 ] - [ -0.0001959700000000, -0.0009541500000000, 0.0001006600000000 ] - [ -0.0004234400000000, -0.0004125700000000, -0.0008319500000000 ] - [ -0.0012693400000000, 0.1180480700000000, -0.0071181000000000 ] - [ 0.0013162400000000, 0.0004569700000000, -0.0004213300000000 ] - [ -0.0002364100000000, 0.0003981600000000, 0.0000422900000000 ] - [ -0.0005165200000000, 0.0007555500000000, -0.0001931900000000 ] - [ -0.0009863300000000, 0.0000797700000000, -0.0002190500000000 ] - [ 0.0004085200000000, 0.0007294500000000, 0.0005839100000000 ] - [ 0.0000446500000000, -0.0009712000000000, -0.0000610500000000 ] - [ -0.0001315000000000, 0.0012963100000000, 0.0038378700000000 ] - [ -0.0000455500000000, -0.0003272000000000, -0.0004151200000000 ] - [ 0.0004520400000000, -0.0004226800000000, 0.0003405600000000 ] - [ -0.0000500200000000, -0.0001551600000000, -0.0004533200000000 ] - [ -0.0005456300000000, 0.0002721700000000, -0.0002723200000000 ] - [ -0.0003447700000000, 0.0002372300000000, -0.0002984800000000 ] - [ 0.0003708600000000, 0.0002193200000000, -0.0011535200000000 ] - [ 0.0000525000000000, 0.0004089200000000, -0.0005524400000000 ] - [ 0.0000974200000000, 0.0002524400000000, -0.0000804000000000 ] - [ -0.0019237100000000, 0.0038227300000000, -0.0005008600000000 ] - [ 0.0000843200000000, 0.0004655900000000, 0.0001020700000000 ] - [ -0.0005705200000000, 0.0000813400000000, 0.0002898100000000 ] - [ 0.0001467100000000, -0.0002038900000000, 0.0003871200000000 ] - [ -0.0000528500000000, -0.0004371300000000, 0.0003196100000000 ] - [ 0.0007358100000000, 0.0002030100000000, 0.0003019000000000 ] - [ -0.0000872600000000, 0.0004648800000000, -0.0004945300000000 ] - [ 0.0003248100000000, 0.0001949100000000, -0.0000968500000000 ] - [ -0.0000058000000000, -0.0001503800000000, 0.0002729400000000 ] - [ -0.0000831200000000, 0.0001071700000000, -0.0000749500000000 ] - [ -0.0014455100000000, -0.1408760400000000, 0.0070363800000000 ] - [ 0.0000720400000000, -0.0003066800000000, 0.0002682600000000 ] - [ 0.0000876000000000, -0.0005761200000000, -0.0001424500000000 ] - [ -0.0000286100000000, 0.0003222800000000, 0.0002471400000000 ] - [ -0.0003622600000000, -0.0003284000000000, -0.0002210300000000 ] - [ 0.0002460500000000, -0.0000169800000000, -0.0000724500000000 ] - [ 0.0001069300000000, 0.0004054400000000, -0.0000588400000000 ] - [ -0.0003728700000000, -0.0000594500000000, -0.0001620800000000 ] - [ 0.0000624500000000, -0.0004630500000000, 0.0000426700000000 ] - [ -0.0003453900000000, 0.0097847300000000, -0.0011975900000000 ] - [ 0.0003682400000000, 0.0006704800000000, -0.0002092500000000 ] - [ -0.0002131700000000, 0.0001927100000000, 0.0002580400000000 ] - [ 0.0002468800000000, -0.0003433100000000, 0.0004084300000000 ] - [ 0.0004894400000000, 0.0000908700000000, 0.0000262700000000 ] - [ -0.0000860400000000, 0.0002233200000000, -0.0002755000000000 ] - [ 0.0001139400000000, -0.0001116500000000, 0.0000577200000000 ] - [ -0.0003270200000000, 0.0021166200000000, 0.0030074800000000 ] - [ -0.0001853600000000, -0.0005934100000000, 0.0006050200000000 ] - [ 0.0023127400000000, 0.0053178400000000, -0.0004113900000000 ] - [ 0.0001171700000000, -0.0003331800000000, -0.0000001200000000 ] - [ 0.0001802400000000, 0.0003034000000000, -0.0002982900000000 ] - [ -0.0001463400000000, 0.0000242100000000, -0.0001292800000000 ] - [ 0.0001949300000000, 0.0001919000000000, 0.0001444500000000 ] - [ 0.0000416000000000, 0.0003285100000000, 0.0004845400000000 ] - [ -0.0001317000000000, 0.0001224600000000, 0.0002365800000000 ] - [ -0.0001279800000000, 0.0004359000000000, 0.0003464500000000 ] - [ -0.0001271900000000, -0.0003408700000000, 0.0001803600000000 ] - [ 0.0002690200000000, 0.0000816900000000, -0.0000120800000000 ] - [ 0.0000643700000000, -0.0002034200000000, -0.0000747300000000 ] - [ 0.0000519400000000, 0.0000667100000000, -0.0000842500000000 ] - [ -0.0003291600000000, 0.0001187300000000, 0.0003248100000000 ] - [ -0.0002079300000000, -0.0000292000000000, 0.0000676100000000 ] - [ 0.0000463100000000, 0.0002458400000000, 0.0000737300000000 ] - [ 0.0000065400000000, -0.0004196100000000, 0.0006189900000000 ] - [ -0.0000208300000000, -0.0004024200000000, 0.0002551600000000 ] - [ 0.0002927600000000, 0.0002873300000000, -0.0001222000000000 ] - [ -0.0001198800000000, -0.0000654600000000, -0.0001771800000000 ] - [ 0.0001996900000000, -0.0000803900000000, -0.0001047600000000 ] - [ 0.0001708300000000, 0.0001708200000000, 0.0000419900000000 ] - [ -0.0003354900000000, 0.0002473200000000, -0.0002668500000000 ] - [ 0.0000416500000000, 0.0001125000000000, -0.0000163300000000 ] - [ -0.0000752800000000, 0.0000128600000000, -0.0002221000000000 ] - [ 0.0001597700000000, 0.0005024500000000, -0.0001368700000000 ] - [ -0.0005185600000000, -0.0020733100000000, -0.0049386900000000 ] - [ 0.0001847300000000, 0.0000746200000000, -0.0000136600000000 ] - [ 0.0004504400000000, 0.0002273400000000, 0.0000493000000000 ] - [ 0.0000470700000000, 0.0001616700000000, 0.0000512100000000 ] - [ -0.0000555400000000, 0.0002692700000000, -0.0000032800000000 ] - [ -0.0002790400000000, 0.0005091800000000, 0.0001183900000000 ] - [ -0.0000012100000000, 0.0004881200000000, -0.0001215100000000 ] - [ -0.0000262700000000, -0.0000355000000000, 0.0003534200000000 ] - [ 0.0002636200000000, 0.0002599300000000, 0.0002043300000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027194300000000, -0.0012118900000000, -0.0013460000000000 ] - [ 0.0002483400000000, -0.0014495400000000, -0.0001488900000000 ] - [ -0.0004672000000000, -0.0016023400000000, -0.0000400100000000 ] - [ 0.0000931200000000, -0.0001492500000000, -0.0003781500000000 ] - [ 0.0000913000000000, 0.0002580300000000, 0.0005393400000000 ] - [ 0.0001694200000000, 0.0004835500000000, -0.0004850300000000 ] - [ -0.0000536700000000, -0.0000968700000000, -0.0000483300000000 ] - [ -0.0000304900000000, -0.0002336000000000, -0.0003200500000000 ] - [ 0.0000160300000000, 0.0000416400000000, 0.0000640600000000 ] - [ 0.0000968000000000, -0.0000248300000000, -0.0000144500000000 ] - [ -0.0001593800000000, -0.0000035500000000, 0.0001688000000000 ] - [ -0.0000953200000000, 0.0003375300000000, -0.0000968800000000 ] - [ -0.0001548300000000, 0.0003786100000000, 0.0001702900000000 ] - [ -0.0000905000000000, 0.0002905400000000, -0.0002767000000000 ] - [ 0.0000175300000000, 0.0001782100000000, 0.0000797300000000 ] - [ 0.0000341900000000, 0.0003159200000000, 0.0001609500000000 ] - [ 0.0004781500000000, 0.0012003900000000, 0.0004458200000000 ] - [ -0.0004903200000000, -0.0002276200000000, -0.0000441900000000 ] - [ 0.0005367700000000, -0.0003892600000000, -0.0000035800000000 ] - [ -0.0005731400000000, 0.0008815400000000, 0.0006904400000000 ] - [ -0.0002390500000000, 0.0007576900000000, -0.0002951900000000 ] - [ -0.0000341900000000, 0.0004867100000000, 0.0001645200000000 ] - [ 0.0001496200000000, 0.0001738800000000, -0.0001030400000000 ] - [ 0.0003827500000000, 0.0006343500000000, 0.0000634600000000 ] - [ -0.0006387000000000, -0.0004205900000000, -0.0002759400000000 ] - [ -0.0000844500000000, -0.0002058100000000, 0.0005313000000000 ] - [ 0.0009997700000000, -0.1120179800000000, 0.0056528900000000 ] - [ -0.0005489400000000, -0.0008436900000000, 0.0005740100000000 ] - [ 0.0000874100000000, -0.0001827300000000, -0.0008356600000000 ] - [ -0.0003198500000000, 0.0006243200000000, 0.0000236200000000 ] - [ 0.0004706800000000, 0.0005386000000000, -0.0000386500000000 ] - [ 0.0003525000000000, -0.0003171300000000, -0.0004178000000000 ] - [ -0.0008760500000000, -0.0004267100000000, -0.0001083900000000 ] - [ -0.0003815400000000, -0.0020160100000000, -0.0043089700000000 ] - [ -0.0000985800000000, 0.0001011600000000, -0.0003803900000000 ] - [ 0.0003082000000000, 0.0000137200000000, -0.0001851600000000 ] - [ -0.0000951100000000, 0.0003647600000000, -0.0003529100000000 ] - [ -0.0002859100000000, 0.0011115700000000, 0.0001071200000000 ] - [ -0.0001618100000000, 0.0003689700000000, 0.0000341700000000 ] - [ 0.0003874800000000, 0.0001616100000000, 0.0013491800000000 ] - [ 0.0000878800000000, -0.0004417000000000, 0.0002794500000000 ] - [ -0.0002920300000000, -0.0001620800000000, -0.0002326400000000 ] - [ 0.0023663600000000, -0.0037316800000000, 0.0008596900000000 ] - [ -0.0000822500000000, 0.0004154600000000, 0.0005408300000000 ] - [ 0.0002493500000000, -0.0000516700000000, 0.0002070500000000 ] - [ -0.0003048100000000, 0.0006656900000000, 0.0003134600000000 ] - [ -0.0003015400000000, -0.0003773000000000, 0.0000165500000000 ] - [ 0.0001346100000000, -0.0004887200000000, -0.0002492700000000 ] - [ 0.0002712200000000, -0.0008470700000000, 0.0003716600000000 ] - [ -0.0001839200000000, -0.0001494700000000, -0.0001762300000000 ] - [ -0.0003034300000000, 0.0001132500000000, 0.0002259000000000 ] - [ -0.0003470700000000, -0.0003786600000000, 0.0001011300000000 ] - [ 0.0017006500000000, 0.1338707700000000, -0.0064461700000000 ] - [ -0.0000719700000000, -0.0005743700000000, 0.0003778100000000 ] - [ -0.0000688800000000, 0.0000458600000000, 0.0001693300000000 ] - [ 0.0003696900000000, -0.0002920500000000, -0.0003315200000000 ] - [ -0.0002431500000000, 0.0000072100000000, -0.0002635800000000 ] - [ 0.0002165200000000, -0.0004046300000000, -0.0001598500000000 ] - [ 0.0001830600000000, -0.0000716400000000, 0.0001133900000000 ] - [ -0.0002286000000000, 0.0003755800000000, -0.0003281100000000 ] - [ 0.0000282200000000, 0.0003792200000000, -0.0000420900000000 ] - [ 0.0001304600000000, -0.0095237100000000, 0.0009341900000000 ] - [ 0.0000938900000000, -0.0002381000000000, -0.0000212100000000 ] - [ -0.0002170600000000, 0.0000844200000000, -0.0002157900000000 ] - [ 0.0001136400000000, 0.0003201500000000, -0.0005151400000000 ] - [ 0.0003661900000000, 0.0002076500000000, 0.0000174900000000 ] - [ 0.0002702900000000, 0.0001685900000000, 0.0001511200000000 ] - [ 0.0001747100000000, -0.0002130700000000, 0.0000015300000000 ] - [ -0.0000284600000000, -0.0012641400000000, -0.0025915400000000 ] - [ 0.0002016300000000, 0.0011057200000000, -0.0005747300000000 ] - [ -0.0024282400000000, -0.0055981300000000, 0.0011040800000000 ] - [ 0.0003536400000000, 0.0003996000000000, 0.0003421800000000 ] - [ -0.0000399700000000, -0.0003553500000000, 0.0000281100000000 ] - [ -0.0000551300000000, 0.0000623800000000, -0.0001850800000000 ] - [ 0.0002737500000000, -0.0002573400000000, 0.0002031300000000 ] - [ -0.0000415100000000, 0.0005501400000000, 0.0001650100000000 ] - [ -0.0001829000000000, -0.0000815700000000, 0.0002578300000000 ] - [ -0.0000351300000000, 0.0000386600000000, 0.0003565500000000 ] - [ -0.0002252700000000, -0.0004730000000000, 0.0001581600000000 ] - [ 0.0005973900000000, -0.0003722700000000, 0.0000590800000000 ] - [ 0.0001219200000000, -0.0001880600000000, -0.0000469300000000 ] - [ 0.0000891900000000, -0.0000113200000000, -0.0001844600000000 ] - [ 0.0000237500000000, -0.0001487800000000, 0.0001641600000000 ] - [ -0.0002252000000000, -0.0002329300000000, -0.0000380000000000 ] - [ 0.0000443800000000, -0.0001636200000000, -0.0000741900000000 ] - [ -0.0000053800000000, -0.0004563200000000, 0.0000217200000000 ] - [ 0.0000367800000000, -0.0000807300000000, -0.0002239800000000 ] - [ 0.0000528900000000, -0.0002660500000000, 0.0000325900000000 ] - [ -0.0004889000000000, -0.0002452700000000, -0.0003174600000000 ] - [ 0.0002626800000000, -0.0003525100000000, -0.0001260000000000 ] - [ 0.0001203700000000, 0.0001695200000000, 0.0000141900000000 ] - [ -0.0002652100000000, 0.0000766900000000, -0.0002222100000000 ] - [ 0.0000488900000000, -0.0001797100000000, 0.0000142300000000 ] - [ -0.0001258500000000, -0.0001010300000000, -0.0000941300000000 ] - [ 0.0003068100000000, -0.0000707000000000, -0.0000861700000000 ] - [ 0.0000917200000000, 0.0025486300000000, 0.0051633800000000 ] - [ 0.0001722400000000, -0.0000844900000000, -0.0000786300000000 ] - [ 0.0004050300000000, 0.0000775300000000, -0.0000050200000000 ] - [ 0.0001382200000000, 0.0002313500000000, -0.0001698500000000 ] - [ 0.0003565700000000, -0.0006114200000000, 0.0000592600000000 ] - [ -0.0000761600000000, 0.0003060600000000, 0.0002198900000000 ] - [ 0.0000167800000000, 0.0000438900000000, 0.0001465800000000 ] - [ -0.0001337700000000, -0.0004261200000000, 0.0003486200000000 ] - [ 0.0002087800000000, -0.0001811600000000, 0.0001453100000000 ]- atom: 53 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ 0.0011193800000000, 0.0005358700000000, 0.0004237300000000 ] - [ 0.0008905300000000, -0.0004185400000000, -0.0002998300000000 ] - [ -0.0003860100000000, -0.0001700400000000, 0.0005785900000000 ] - [ 0.0000365100000000, 0.0001663000000000, -0.0001788600000000 ] - [ -0.0002614900000000, 0.0000653100000000, -0.0002474500000000 ] - [ -0.0019297400000000, 0.0011011500000000, 0.0017446300000000 ] - [ 0.0000196300000000, -0.0000555900000000, -0.0001850400000000 ] - [ -0.0000906300000000, 0.0002900600000000, 0.0000420200000000 ] - [ -0.0002221600000000, -0.0001330200000000, 0.0002797600000000 ] - [ -0.0000497400000000, -0.0002221300000000, -0.0000725100000000 ] - [ 0.0000087200000000, -0.0001856900000000, 0.0001136700000000 ] - [ -0.0000325700000000, 0.0001359300000000, -0.0000750600000000 ] - [ -0.0000893700000000, 0.0001537700000000, 0.0001472200000000 ] - [ 0.0000538400000000, 0.0001447300000000, -0.0001564200000000 ] - [ -0.0000329900000000, -0.0000736100000000, -0.0002484800000000 ] - [ -0.0000250400000000, 0.0001201900000000, 0.0001200700000000 ] - [ -0.0015079400000000, 0.0025478500000000, 0.0025403500000000 ] - [ -0.0000677000000000, -0.0000148100000000, -0.0003404800000000 ] - [ -0.0005048200000000, -0.0004734700000000, -0.0007453200000000 ] - [ 0.0013351000000000, 0.0005907400000000, 0.0018832600000000 ] - [ 0.0000914000000000, 0.0000608200000000, -0.0001276100000000 ] - [ 0.0000739500000000, 0.0001141300000000, 0.0000917900000000 ] - [ 0.0000990000000000, -0.0001215600000000, -0.0002462000000000 ] - [ 0.0000685700000000, -0.0002620300000000, 0.0001795200000000 ] - [ -0.0003847700000000, -0.0005819700000000, -0.0000594400000000 ] - [ 0.0001390800000000, -0.0002013900000000, 0.0007283700000000 ] - [ -0.0049130500000000, -0.0058183400000000, 0.0147060900000000 ] - [ 0.0015741700000000, 0.0000123300000000, 0.0001270700000000 ] - [ -0.0004315800000000, 0.0000650000000000, -0.0003366600000000 ] - [ -0.0005241400000000, 0.0007447700000000, -0.0001730300000000 ] - [ 0.0003960300000000, -0.0001985500000000, -0.0001755700000000 ] - [ 0.0005140000000000, 0.0001334200000000, 0.0006089500000000 ] - [ 0.0001823900000000, -0.0010646400000000, 0.0004607900000000 ] - [ -0.0007294900000000, 0.0006907000000000, -0.0000425800000000 ] - [ -0.0000689700000000, -0.0001520500000000, -0.0003822700000000 ] - [ 0.0003991700000000, -0.0002314200000000, 0.0001098900000000 ] - [ -0.0000737100000000, 0.0000856400000000, -0.0004312000000000 ] - [ -0.0006095800000000, 0.0006725300000000, -0.0001648500000000 ] - [ -0.0003335000000000, 0.0003410100000000, -0.0001977700000000 ] - [ 0.0003645200000000, 0.0000338400000000, 0.0003290300000000 ] - [ 0.0007547800000000, 0.0012449100000000, -0.0010189200000000 ] - [ -0.0000392100000000, 0.0000769700000000, -0.0001329200000000 ] - [ 0.0014947700000000, -0.0023526900000000, -0.0014253200000000 ] - [ 0.0001072300000000, 0.0004597600000000, 0.0002208800000000 ] - [ -0.0009210000000000, 0.0003265000000000, 0.0011620400000000 ] - [ 0.0000784000000000, 0.0000735900000000, 0.0004803500000000 ] - [ 0.0000163700000000, -0.0003504700000000, 0.0002975400000000 ] - [ -0.0004291000000000, -0.0008503000000000, -0.0002504600000000 ] - [ 0.0001180200000000, -0.0002338700000000, -0.0003690300000000 ] - [ 0.0002128300000000, 0.0000680400000000, -0.0000653100000000 ] - [ -0.0002432900000000, -0.0002304100000000, -0.0002192700000000 ] - [ -0.0004648400000000, -0.0002798700000000, 0.0004685600000000 ] - [ 0.0064229000000000, 0.0071771800000000, -0.0182927300000000 ] - [ -0.0000217500000000, -0.0004235800000000, 0.0002998800000000 ] - [ -0.0001100700000000, -0.0003055800000000, -0.0001816900000000 ] - [ 0.0003330100000000, -0.0002938500000000, -0.0002498600000000 ] - [ -0.0005625700000000, -0.0002603300000000, -0.0006243100000000 ] - [ 0.0001971900000000, -0.0002584200000000, -0.0000097100000000 ] - [ 0.0002022300000000, 0.0001098900000000, 0.0001246500000000 ] - [ -0.0004341000000000, 0.0002269200000000, 0.0000753500000000 ] - [ 0.0001267600000000, -0.0000714000000000, 0.0000142000000000 ] - [ -0.0000732600000000, 0.0040453100000000, -0.0044211600000000 ] - [ 0.0000563400000000, 0.0000978600000000, -0.0002074600000000 ] - [ -0.0003002400000000, -0.0000622600000000, -0.0002808900000000 ] - [ -0.0004495000000000, 0.0004460000000000, 0.0006690000000000 ] - [ 0.0002381700000000, 0.0003118800000000, 0.0003854300000000 ] - [ 0.0001807700000000, 0.0001998200000000, -0.0000196500000000 ] - [ -0.0000472300000000, -0.0000194000000000, -0.0001404000000000 ] - [ -0.0005168100000000, 0.0036006800000000, 0.0015201400000000 ] - [ -0.0002783500000000, -0.0001488900000000, 0.0005279000000000 ] - [ -0.0013263100000000, -0.0081181100000000, -0.0016115700000000 ] - [ 0.0003861000000000, -0.0000276100000000, 0.0001428400000000 ] - [ 0.0000870800000000, 0.0000236500000000, -0.0001679800000000 ] - [ -0.0000900500000000, 0.0000287200000000, -0.0001528800000000 ] - [ 0.0002369500000000, -0.0000182400000000, 0.0001620000000000 ] - [ 0.0000375500000000, 0.0004922500000000, 0.0003808600000000 ] - [ -0.0001556700000000, 0.0000261300000000, 0.0002592700000000 ] - [ -0.0000996100000000, 0.0002679000000000, 0.0003583900000000 ] - [ -0.0001694800000000, -0.0004003800000000, 0.0001785600000000 ] - [ 0.0003854900000000, -0.0001406600000000, -0.0000216700000000 ] - [ 0.0000809600000000, -0.0002234200000000, -0.0000777000000000 ] - [ 0.0001054200000000, -0.0000115100000000, -0.0000396200000000 ] - [ -0.0001548300000000, -0.0000494200000000, 0.0002123700000000 ] - [ -0.0001879800000000, -0.0001434600000000, 0.0000443400000000 ] - [ 0.0000461700000000, 0.0001063500000000, -0.0000071400000000 ] - [ 0.0001345700000000, -0.0004870900000000, 0.0002472900000000 ] - [ 0.0000339500000000, -0.0001263100000000, -0.0000339400000000 ] - [ 0.0002435600000000, 0.0001154100000000, -0.0000293100000000 ] - [ -0.0002897900000000, -0.0001628600000000, -0.0002759600000000 ] - [ 0.0002694800000000, -0.0002093300000000, -0.0000784400000000 ] - [ 0.0001492600000000, 0.0001582900000000, 0.0000239300000000 ] - [ -0.0002981000000000, 0.0001717300000000, -0.0002354000000000 ] - [ 0.0000294400000000, -0.0000240800000000, 0.0000169900000000 ] - [ -0.0000999600000000, -0.0000457600000000, -0.0001620900000000 ] - [ 0.0000527700000000, 0.0002239900000000, -0.0001318600000000 ] - [ 0.0001359900000000, -0.0029321100000000, 0.0016203400000000 ] - [ 0.0001711500000000, -0.0000098000000000, -0.0000396000000000 ] - [ 0.0004314800000000, 0.0001512100000000, 0.0000671000000000 ] - [ 0.0000575300000000, 0.0001618900000000, 0.0000248100000000 ] - [ 0.0000607600000000, -0.0001334400000000, -0.0000303800000000 ] - [ -0.0001791000000000, 0.0004129800000000, 0.0001610900000000 ] - [ 0.0000077900000000, 0.0002917200000000, -0.0000023200000000 ] - [ -0.0000798400000000, -0.0002122300000000, 0.0003441800000000 ] - [ 0.0002418200000000, 0.0000923600000000, 0.0001885000000000 ]- atom: 53 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0013191000000000, -0.0008789400000000, -0.0001136900000000 ] - [ -0.0009665100000000, 0.0001023400000000, 0.0001857100000000 ] - [ 0.0003544200000000, -0.0001051700000000, -0.0003232100000000 ] - [ -0.0001014000000000, 0.0001556500000000, 0.0000538600000000 ] - [ 0.0000505300000000, 0.0002816300000000, 0.0005327800000000 ] - [ 0.0019860400000000, -0.0009708200000000, -0.0021840400000000 ] - [ -0.0000293800000000, -0.0001355800000000, -0.0002128700000000 ] - [ 0.0000545400000000, -0.0000144600000000, 0.0002056500000000 ] - [ 0.0000112200000000, -0.0002119200000000, 0.0000076400000000 ] - [ -0.0000171200000000, -0.0000980700000000, -0.0000516700000000 ] - [ -0.0000439200000000, -0.0000874100000000, 0.0001362600000000 ] - [ -0.0000331100000000, 0.0001857700000000, -0.0000464800000000 ] - [ -0.0001207700000000, 0.0001917400000000, 0.0001386900000000 ] - [ -0.0000632800000000, 0.0000486200000000, -0.0002414800000000 ] - [ 0.0000234200000000, -0.0001203400000000, -0.0001516000000000 ] - [ -0.0000113100000000, 0.0001540800000000, 0.0001314300000000 ] - [ 0.0016762300000000, -0.0022917200000000, -0.0028756400000000 ] - [ 0.0001419900000000, 0.0003567200000000, 0.0005914800000000 ] - [ 0.0006775400000000, 0.0002275100000000, 0.0003921700000000 ] - [ -0.0012604400000000, -0.0009201000000000, -0.0016129800000000 ] - [ 0.0000853300000000, 0.0001836800000000, -0.0002227600000000 ] - [ -0.0000038900000000, 0.0002320900000000, 0.0001579100000000 ] - [ 0.0000723500000000, -0.0001213600000000, -0.0001050100000000 ] - [ -0.0000032100000000, -0.0000858000000000, 0.0000719500000000 ] - [ -0.0004497000000000, -0.0008084100000000, -0.0001058700000000 ] - [ -0.0006476000000000, -0.0004108600000000, -0.0009851600000000 ] - [ 0.0047573900000000, 0.0052263800000000, -0.0154828500000000 ] - [ -0.0008145900000000, -0.0004192600000000, 0.0000092700000000 ] - [ 0.0002924200000000, 0.0001480800000000, -0.0004670300000000 ] - [ -0.0003109700000000, 0.0006446200000000, 0.0000059300000000 ] - [ -0.0009080500000000, 0.0008073800000000, -0.0000840700000000 ] - [ 0.0002442800000000, 0.0002734200000000, -0.0004515300000000 ] - [ -0.0010143500000000, -0.0003236600000000, -0.0006231800000000 ] - [ 0.0002153000000000, -0.0013089300000000, -0.0001650300000000 ] - [ -0.0000740800000000, -0.0000579400000000, -0.0004209100000000 ] - [ 0.0003607400000000, -0.0001731000000000, 0.0000420200000000 ] - [ -0.0000693700000000, 0.0001262600000000, -0.0003704000000000 ] - [ -0.0002253600000000, 0.0007132700000000, -0.0000026500000000 ] - [ -0.0001729200000000, 0.0002741600000000, -0.0000671200000000 ] - [ 0.0003963100000000, 0.0003658700000000, -0.0001974800000000 ] - [ -0.0006058900000000, -0.0012920100000000, 0.0007412500000000 ] - [ -0.0001647600000000, 0.0000080100000000, -0.0001836100000000 ] - [ -0.0010131600000000, 0.0022383500000000, 0.0017847900000000 ] - [ -0.0001061900000000, 0.0004238200000000, 0.0004253600000000 ] - [ 0.0006075600000000, -0.0002916500000000, -0.0006856900000000 ] - [ -0.0002441800000000, 0.0003942400000000, 0.0002219600000000 ] - [ -0.0003712400000000, -0.0004627300000000, 0.0000390500000000 ] - [ 0.0012853600000000, 0.0005464700000000, 0.0002911700000000 ] - [ 0.0000691500000000, -0.0001581700000000, 0.0002466100000000 ] - [ -0.0000733700000000, -0.0000149100000000, -0.0002065000000000 ] - [ -0.0000684300000000, 0.0001929200000000, 0.0007116000000000 ] - [ 0.0000305500000000, 0.0000118600000000, -0.0004348000000000 ] - [ -0.0064313200000000, -0.0065774100000000, 0.0182823200000000 ] - [ 0.0000216500000000, -0.0004598200000000, 0.0003473000000000 ] - [ 0.0001249200000000, -0.0002199300000000, 0.0002066400000000 ] - [ 0.0000297200000000, 0.0003010800000000, 0.0001549200000000 ] - [ -0.0000372700000000, -0.0000607100000000, 0.0001304500000000 ] - [ 0.0002658500000000, -0.0001745300000000, -0.0002203100000000 ] - [ 0.0000907000000000, 0.0002293500000000, -0.0000688600000000 ] - [ -0.0001658500000000, 0.0000928400000000, -0.0005652000000000 ] - [ -0.0000367100000000, -0.0000031700000000, -0.0000146800000000 ] - [ -0.0001339900000000, -0.0042030900000000, 0.0041220100000000 ] - [ 0.0004064600000000, 0.0003354500000000, -0.0000229400000000 ] - [ -0.0001330500000000, 0.0003256200000000, 0.0003080700000000 ] - [ 0.0008090600000000, -0.0004576300000000, -0.0007533000000000 ] - [ 0.0006195100000000, -0.0000099300000000, -0.0003419900000000 ] - [ 0.0000056600000000, 0.0001893700000000, -0.0000990700000000 ] - [ 0.0003384200000000, -0.0003204700000000, 0.0001941200000000 ] - [ 0.0001625100000000, -0.0027273100000000, -0.0012023500000000 ] - [ 0.0002956600000000, 0.0006761500000000, -0.0005017400000000 ] - [ 0.0011708400000000, 0.0076588500000000, 0.0023376000000000 ] - [ 0.0000837300000000, 0.0000971800000000, 0.0002060500000000 ] - [ 0.0000521200000000, -0.0000732800000000, -0.0001044500000000 ] - [ -0.0001122300000000, 0.0000560700000000, -0.0001625800000000 ] - [ 0.0002351200000000, -0.0000528700000000, 0.0001870200000000 ] - [ -0.0000373300000000, 0.0003917700000000, 0.0002661600000000 ] - [ -0.0001600800000000, 0.0000095600000000, 0.0002330300000000 ] - [ -0.0000640000000000, 0.0001981600000000, 0.0003439200000000 ] - [ -0.0001847900000000, -0.0004117300000000, 0.0001561000000000 ] - [ 0.0004675200000000, -0.0001632900000000, 0.0000658200000000 ] - [ 0.0001050900000000, -0.0001647900000000, -0.0000415700000000 ] - [ 0.0000335800000000, 0.0000619100000000, -0.0002319800000000 ] - [ -0.0001639300000000, 0.0000144400000000, 0.0002827700000000 ] - [ -0.0002446600000000, -0.0001241100000000, -0.0000136200000000 ] - [ 0.0000442000000000, -0.0000322100000000, 0.0000061600000000 ] - [ -0.0001368700000000, -0.0003986300000000, 0.0004020000000000 ] - [ -0.0000172400000000, -0.0004156100000000, 0.0000607600000000 ] - [ 0.0001128000000000, -0.0000985000000000, -0.0000589700000000 ] - [ -0.0003068500000000, -0.0001574600000000, -0.0002131200000000 ] - [ 0.0001931800000000, -0.0002203400000000, -0.0001524100000000 ] - [ 0.0001441900000000, 0.0001791400000000, 0.0000318100000000 ] - [ -0.0003012800000000, 0.0001473800000000, -0.0002560500000000 ] - [ 0.0000608200000000, -0.0000511500000000, -0.0000172200000000 ] - [ -0.0001019400000000, -0.0000387300000000, -0.0001534100000000 ] - [ 0.0004077800000000, 0.0002081600000000, -0.0001006700000000 ] - [ -0.0005439300000000, 0.0031683900000000, -0.0016701000000000 ] - [ 0.0001861500000000, -0.0000031700000000, -0.0000510900000000 ] - [ 0.0004234300000000, 0.0001507100000000, -0.0000211000000000 ] - [ 0.0001287300000000, 0.0002261700000000, -0.0001436000000000 ] - [ 0.0002296100000000, -0.0002023200000000, 0.0000856700000000 ] - [ -0.0001750600000000, 0.0003993200000000, 0.0001734800000000 ] - [ 0.0000079600000000, 0.0002308900000000, 0.0000299400000000 ] - [ -0.0000838900000000, -0.0002550000000000, 0.0003585000000000 ] - [ 0.0002302900000000, -0.0000224100000000, 0.0001604700000000 ]- atom: 55 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0000869500000000, -0.0002255700000000, 0.0001957500000000 ] - [ 0.0001516500000000, 0.0001357100000000, 0.0000833100000000 ] - [ 0.0015358500000000, 0.0001733900000000, -0.0012130600000000 ] - [ -0.0000017100000000, -0.0001609700000000, 0.0002344800000000 ] - [ -0.0003367700000000, 0.0002890100000000, 0.0002852200000000 ] - [ 0.0000623500000000, 0.0001071100000000, -0.0002029000000000 ] - [ 0.0005896900000000, -0.0001409300000000, -0.0002443400000000 ] - [ 0.0000398400000000, 0.0001676700000000, 0.0001019400000000 ] - [ -0.0001269700000000, -0.0000826800000000, 0.0001192900000000 ] - [ -0.0000311900000000, -0.0001508900000000, -0.0000633700000000 ] - [ -0.0000225800000000, -0.0001416100000000, 0.0001390400000000 ] - [ -0.0000227200000000, 0.0001535900000000, -0.0000600200000000 ] - [ -0.0000840100000000, 0.0001711300000000, 0.0001255400000000 ] - [ -0.0000196000000000, 0.0000346400000000, -0.0001743800000000 ] - [ -0.0000195100000000, -0.0001035900000000, -0.0001992600000000 ] - [ -0.0000289800000000, 0.0001327300000000, 0.0001317300000000 ] - [ -0.0012576700000000, 0.0007303300000000, -0.0008367900000000 ] - [ -0.0003000000000000, 0.0000320100000000, 0.0001748800000000 ] - [ 0.0003312700000000, -0.0002703200000000, -0.0002667600000000 ] - [ -0.0014613200000000, -0.0006568500000000, 0.0011166100000000 ] - [ 0.0000646400000000, 0.0001825600000000, -0.0001059600000000 ] - [ 0.0000864400000000, 0.0001614000000000, 0.0001037100000000 ] - [ 0.0000079300000000, -0.0001280900000000, -0.0001988300000000 ] - [ 0.0000779900000000, -0.0002007200000000, 0.0001187700000000 ] - [ -0.0003439800000000, -0.0008251900000000, -0.0003388500000000 ] - [ 0.0002244900000000, -0.0002219100000000, -0.0004155500000000 ] - [ -0.0000156800000000, -0.0002649800000000, -0.0001100700000000 ] - [ 0.0006835000000000, -0.0002924900000000, -0.0000015800000000 ] - [ -0.0000778000000000, -0.0000618300000000, -0.0008749800000000 ] - [ -0.0003758000000000, 0.0005703900000000, -0.0001947800000000 ] - [ -0.0003684600000000, 0.0003611800000000, -0.0000931400000000 ] - [ 0.0144693400000000, -0.0010092700000000, 0.0008497500000000 ] - [ -0.0010015600000000, -0.0005621000000000, -0.0001358900000000 ] - [ -0.0002474300000000, -0.0003451300000000, -0.0001959100000000 ] - [ -0.0000721800000000, -0.0000758200000000, -0.0003709800000000 ] - [ 0.0003709000000000, -0.0002011800000000, 0.0001186600000000 ] - [ -0.0000652800000000, 0.0000899200000000, -0.0004091500000000 ] - [ -0.0005090700000000, 0.0006678100000000, -0.0000581300000000 ] - [ -0.0002301500000000, 0.0003382000000000, -0.0002019900000000 ] - [ 0.0003612200000000, 0.0002061700000000, 0.0001310200000000 ] - [ 0.0002824800000000, -0.0000022300000000, -0.0001505300000000 ] - [ 0.0000915100000000, 0.0001733900000000, 0.0000506100000000 ] - [ 0.0031396500000000, -0.0012362800000000, 0.0007805100000000 ] - [ -0.0001063800000000, 0.0004448500000000, 0.0002636500000000 ] - [ -0.0002301300000000, 0.0000250400000000, 0.0002660500000000 ] - [ -0.0002194300000000, 0.0003267700000000, 0.0004439700000000 ] - [ -0.0001413000000000, -0.0004238900000000, 0.0002552600000000 ] - [ -0.0001995800000000, -0.0011146200000000, -0.0000368200000000 ] - [ -0.0000150200000000, -0.0002980100000000, -0.0000641900000000 ] - [ 0.0000543900000000, 0.0001139700000000, -0.0000990200000000 ] - [ -0.0001612300000000, -0.0050494300000000, -0.0036785900000000 ] - [ -0.0001969000000000, -0.0001633300000000, 0.0000161900000000 ] - [ 0.0002159900000000, 0.0001158800000000, -0.0000655500000000 ] - [ -0.0000661300000000, -0.0005078700000000, 0.0004050000000000 ] - [ -0.0184139700000000, -0.0005272800000000, -0.0000178000000000 ] - [ -0.0003073600000000, 0.0013012700000000, -0.0003093800000000 ] - [ 0.0000894300000000, 0.0054367600000000, 0.0042468100000000 ] - [ 0.0002992600000000, -0.0001808600000000, 0.0000461900000000 ] - [ 0.0001994900000000, 0.0001910700000000, 0.0000038800000000 ] - [ -0.0003760700000000, 0.0002314000000000, -0.0003982500000000 ] - [ 0.0000328700000000, 0.0001561800000000, -0.0003081500000000 ] - [ -0.0000623100000000, 0.0000425500000000, -0.0002073400000000 ] - [ -0.0002116300000000, 0.0003000500000000, 0.0005519300000000 ] - [ -0.0004353200000000, 0.0000506600000000, -0.0000024100000000 ] - [ 0.0002132400000000, -0.0000116600000000, -0.0000709600000000 ] - [ 0.0003711900000000, 0.0001231900000000, 0.0000444800000000 ] - [ 0.0000798700000000, 0.0002506700000000, -0.0000276200000000 ] - [ 0.0004613600000000, -0.0001293300000000, 0.0001072200000000 ] - [ 0.0001774000000000, 0.0003198800000000, 0.0001711300000000 ] - [ -0.0000466600000000, 0.0002671200000000, 0.0000474400000000 ] - [ 0.0020263500000000, 0.0011849800000000, -0.0006849700000000 ] - [ 0.0002758000000000, 0.0001136000000000, 0.0001162500000000 ] - [ 0.0000875000000000, -0.0002020500000000, -0.0001554500000000 ] - [ -0.0001019900000000, 0.0000443500000000, -0.0001565100000000 ] - [ 0.0002451100000000, -0.0000478200000000, 0.0001632400000000 ] - [ 0.0000072200000000, 0.0004048400000000, 0.0002760800000000 ] - [ -0.0001500500000000, 0.0000214500000000, 0.0002300200000000 ] - [ -0.0000673600000000, 0.0002653000000000, 0.0003603400000000 ] - [ -0.0001795000000000, -0.0004030700000000, 0.0001930900000000 ] - [ 0.0004196100000000, -0.0001533500000000, 0.0000166500000000 ] - [ 0.0001485100000000, -0.0002223400000000, -0.0001096500000000 ] - [ 0.0001391700000000, 0.0000841900000000, -0.0000773900000000 ] - [ -0.0001361000000000, -0.0000307000000000, 0.0002301700000000 ] - [ -0.0002517200000000, -0.0001697800000000, 0.0000296000000000 ] - [ -0.0000219800000000, 0.0000093900000000, 0.0000032000000000 ] - [ 0.0001013700000000, -0.0004156200000000, 0.0003233100000000 ] - [ 0.0000141900000000, -0.0002489200000000, -0.0000017100000000 ] - [ 0.0001443000000000, 0.0000384000000000, -0.0000492900000000 ] - [ -0.0003164100000000, -0.0001693900000000, -0.0002456900000000 ] - [ 0.0002533100000000, -0.0001780800000000, -0.0001422600000000 ] - [ 0.0001254800000000, 0.0001834700000000, 0.0000758500000000 ] - [ -0.0003040600000000, 0.0001583700000000, -0.0002582600000000 ] - [ 0.0000434100000000, -0.0000286600000000, -0.0000009800000000 ] - [ -0.0000864700000000, -0.0000588500000000, -0.0001736400000000 ] - [ 0.0003733000000000, 0.0001715700000000, -0.0000967700000000 ] - [ -0.0002094800000000, 0.0001576900000000, 0.0000440200000000 ] - [ 0.0001565300000000, -0.0000107900000000, -0.0000484400000000 ] - [ 0.0004387500000000, 0.0001376400000000, 0.0000188800000000 ] - [ 0.0001868700000000, 0.0002073400000000, 0.0000345600000000 ] - [ 0.0001464000000000, -0.0001176100000000, 0.0000499000000000 ] - [ -0.0001409400000000, 0.0004109900000000, 0.0001700400000000 ] - [ 0.0000107100000000, 0.0002515300000000, 0.0000055700000000 ] - [ -0.0000742200000000, -0.0002467900000000, 0.0003509900000000 ] - [ 0.0002279300000000, 0.0000500100000000, 0.0001825000000000 ]- atom: 55 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0001239600000000, -0.0001221300000000, 0.0000908900000000 ] - [ -0.0001973500000000, -0.0004700500000000, -0.0001812300000000 ] - [ -0.0016169500000000, -0.0004804500000000, 0.0015195900000000 ] - [ -0.0000541900000000, 0.0004739900000000, -0.0003529300000000 ] - [ 0.0001256900000000, 0.0000573100000000, 0.0000023800000000 ] - [ -0.0000711600000000, 0.0000839100000000, -0.0001950500000000 ] - [ -0.0005992000000000, -0.0000490500000000, -0.0001499500000000 ] - [ -0.0000766600000000, 0.0001051800000000, 0.0001487700000000 ] - [ -0.0000845500000000, -0.0002617300000000, 0.0001659900000000 ] - [ -0.0000345900000000, -0.0001690900000000, -0.0000595500000000 ] - [ -0.0000136700000000, -0.0001313000000000, 0.0001123700000000 ] - [ -0.0000432700000000, 0.0001688700000000, -0.0000625800000000 ] - [ -0.0001266100000000, 0.0001758600000000, 0.0001601900000000 ] - [ 0.0000106200000000, 0.0001590700000000, -0.0002256300000000 ] - [ 0.0000099300000000, -0.0000876800000000, -0.0001992900000000 ] - [ -0.0000069800000000, 0.0001428800000000, 0.0001199800000000 ] - [ 0.0014192900000000, -0.0004854700000000, 0.0004829700000000 ] - [ 0.0003699000000000, 0.0003109700000000, 0.0000751800000000 ] - [ -0.0001604100000000, 0.0000244500000000, -0.0000836300000000 ] - [ 0.0015408100000000, 0.0003064600000000, -0.0008697800000000 ] - [ 0.0001072400000000, 0.0000713100000000, -0.0002410500000000 ] - [ -0.0000161800000000, 0.0001850500000000, 0.0001462500000000 ] - [ 0.0001634500000000, -0.0001142400000000, -0.0001518300000000 ] - [ -0.0000080400000000, -0.0001398700000000, 0.0001314300000000 ] - [ -0.0004848200000000, -0.0005640600000000, 0.0001969600000000 ] - [ -0.0007300600000000, -0.0003970600000000, 0.0001164700000000 ] - [ -0.0001433000000000, 0.0000575200000000, -0.0007053900000000 ] - [ 0.0000790700000000, -0.0001161100000000, 0.0001552200000000 ] - [ -0.0000637700000000, 0.0002682200000000, 0.0000747400000000 ] - [ -0.0004590000000000, 0.0008152500000000, 0.0000275600000000 ] - [ -0.0001385300000000, 0.0002535300000000, -0.0001713100000000 ] - [ -0.0137143900000000, 0.0010007100000000, -0.0010058100000000 ] - [ 0.0001662800000000, -0.0008225700000000, -0.0000340600000000 ] - [ -0.0002585200000000, -0.0002668700000000, -0.0000677700000000 ] - [ -0.0000712400000000, -0.0001341500000000, -0.0004307200000000 ] - [ 0.0003889300000000, -0.0002017100000000, 0.0000316200000000 ] - [ -0.0000780800000000, 0.0001243000000000, -0.0003921400000000 ] - [ -0.0003267400000000, 0.0007195700000000, -0.0001091000000000 ] - [ -0.0002758900000000, 0.0002757300000000, -0.0000612100000000 ] - [ 0.0003981400000000, 0.0001994400000000, 0.0000241800000000 ] - [ -0.0001404000000000, -0.0000488100000000, -0.0001197400000000 ] - [ -0.0002912700000000, -0.0000902600000000, -0.0003756400000000 ] - [ -0.0026706400000000, 0.0011623400000000, -0.0004275000000000 ] - [ 0.0001062800000000, 0.0004378100000000, 0.0003838400000000 ] - [ -0.0000865800000000, 0.0000117300000000, 0.0002265100000000 ] - [ 0.0000571000000000, 0.0001417700000000, 0.0002553300000000 ] - [ -0.0002122800000000, -0.0003852100000000, 0.0000792400000000 ] - [ 0.0010597500000000, 0.0008201500000000, 0.0000877700000000 ] - [ 0.0002017200000000, -0.0000977400000000, -0.0000543800000000 ] - [ 0.0000852700000000, -0.0000629100000000, -0.0001722400000000 ] - [ -0.0001521800000000, 0.0050167700000000, 0.0041992300000000 ] - [ -0.0002358400000000, -0.0001041100000000, 0.0000146400000000 ] - [ -0.0001247800000000, -0.0000400600000000, 0.0000659200000000 ] - [ 0.0000654400000000, -0.0003710300000000, 0.0002465000000000 ] - [ 0.0184762100000000, 0.0004318500000000, 0.0002713800000000 ] - [ 0.0006572400000000, -0.0012791000000000, 0.0002216300000000 ] - [ -0.0006849000000000, -0.0057415000000000, -0.0047017700000000 ] - [ 0.0001633700000000, -0.0002505700000000, -0.0002768900000000 ] - [ 0.0000939100000000, 0.0001459700000000, 0.0000514400000000 ] - [ -0.0002244800000000, 0.0000925900000000, -0.0000917100000000 ] - [ 0.0000575300000000, -0.0002265900000000, 0.0003044000000000 ] - [ -0.0001385800000000, -0.0001302600000000, -0.0001093600000000 ] - [ 0.0006495900000000, 0.0001825900000000, -0.0008340100000000 ] - [ 0.0000014700000000, 0.0001976400000000, 0.0000342900000000 ] - [ 0.0001444600000000, -0.0000004900000000, -0.0000197800000000 ] - [ 0.0004825900000000, 0.0001794300000000, 0.0000005300000000 ] - [ 0.0001068000000000, 0.0001381900000000, -0.0000913000000000 ] - [ -0.0001677300000000, -0.0002090200000000, -0.0000504500000000 ] - [ -0.0005324600000000, 0.0004939100000000, 0.0001642600000000 ] - [ 0.0000619200000000, 0.0002584900000000, -0.0000208100000000 ] - [ -0.0021959500000000, -0.0016586900000000, 0.0013934300000000 ] - [ 0.0001971000000000, -0.0000410400000000, 0.0002320100000000 ] - [ 0.0000577700000000, 0.0001350600000000, -0.0001183300000000 ] - [ -0.0000997000000000, 0.0000408500000000, -0.0001592600000000 ] - [ 0.0002275200000000, -0.0000260200000000, 0.0001855400000000 ] - [ -0.0000065500000000, 0.0004792600000000, 0.0003697200000000 ] - [ -0.0001659800000000, 0.0000137700000000, 0.0002627900000000 ] - [ -0.0000956800000000, 0.0002002000000000, 0.0003422300000000 ] - [ -0.0001745400000000, -0.0004096900000000, 0.0001419000000000 ] - [ 0.0004356100000000, -0.0001505000000000, 0.0000283000000000 ] - [ 0.0000382800000000, -0.0001686700000000, -0.0000090500000000 ] - [ 0.0000004100000000, -0.0000334900000000, -0.0001946800000000 ] - [ -0.0001777600000000, -0.0000074400000000, 0.0002615300000000 ] - [ -0.0001810800000000, -0.0000981000000000, 0.0000006200000000 ] - [ 0.0001122100000000, 0.0000650000000000, -0.0000044000000000 ] - [ -0.0001006100000000, -0.0004665800000000, 0.0003243200000000 ] - [ 0.0000019800000000, -0.0002769900000000, 0.0000273700000000 ] - [ 0.0002134200000000, -0.0000269500000000, -0.0000421600000000 ] - [ -0.0002832600000000, -0.0001510100000000, -0.0002461300000000 ] - [ 0.0002099000000000, -0.0002530500000000, -0.0000880100000000 ] - [ 0.0001673500000000, 0.0001544600000000, -0.0000201100000000 ] - [ -0.0002951100000000, 0.0001604900000000, -0.0002328400000000 ] - [ 0.0000469900000000, -0.0000470600000000, 0.0000002500000000 ] - [ -0.0001154400000000, -0.0000272900000000, -0.0001413100000000 ] - [ 0.0000897200000000, 0.0002584000000000, -0.0001328100000000 ] - [ -0.0002251300000000, 0.0001079800000000, -0.0000141400000000 ] - [ 0.0002010100000000, -0.0000023900000000, -0.0000431100000000 ] - [ 0.0004158900000000, 0.0001643200000000, 0.0000266900000000 ] - [ -0.0000003500000000, 0.0001823300000000, -0.0001538700000000 ] - [ 0.0001462500000000, -0.0002254800000000, 0.0000040700000000 ] - [ -0.0002128600000000, 0.0004014100000000, 0.0001643300000000 ] - [ 0.0000049400000000, 0.0002709600000000, 0.0000228200000000 ] - [ -0.0000898300000000, -0.0002228800000000, 0.0003517300000000 ] - [ 0.0002437400000000, 0.0000192600000000, 0.0001664800000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000933500000000, -0.0002682600000000, 0.0000528100000000 ] - [ 0.0008437100000000, 0.0000335900000000, 0.0007999300000000 ] - [ -0.0002729100000000, 0.0003876200000000, 0.0004198000000000 ] - [ -0.0006529700000000, 0.0014765000000000, -0.0012315200000000 ] - [ 0.0000022600000000, 0.0001976700000000, -0.0000719100000000 ] - [ -0.0001330500000000, 0.0000349200000000, -0.0002459200000000 ] - [ 0.0000258200000000, -0.0002064000000000, -0.0007678600000000 ] - [ 0.0000439800000000, 0.0004746700000000, 0.0000916500000000 ] - [ 0.0002323400000000, -0.0005700900000000, 0.0003787100000000 ] - [ -0.0000180300000000, -0.0003951900000000, -0.0000691600000000 ] - [ -0.0000367600000000, -0.0003751300000000, 0.0001207900000000 ] - [ 0.0000003200000000, -0.0000342800000000, -0.0001055300000000 ] - [ -0.0000646400000000, 0.0000258900000000, 0.0001979400000000 ] - [ -0.0002556600000000, -0.0003063100000000, 0.0001462500000000 ] - [ -0.0000602400000000, -0.0002147200000000, -0.0001923600000000 ] - [ -0.0000658100000000, -0.0000897600000000, 0.0000531200000000 ] - [ 0.0020338900000000, 0.0012800100000000, 0.0004951200000000 ] - [ 0.0000452000000000, 0.0002716700000000, -0.0000432100000000 ] - [ 0.0001833800000000, -0.0001156200000000, -0.0001601500000000 ] - [ -0.0018247800000000, 0.0009046900000000, 0.0007406800000000 ] - [ 0.0002216900000000, -0.0008424400000000, -0.0002789300000000 ] - [ -0.0000064100000000, -0.0001543600000000, 0.0000050200000000 ] - [ 0.0000635000000000, -0.0005431400000000, -0.0002447800000000 ] - [ -0.0000234200000000, -0.0012216700000000, -0.0000045200000000 ] - [ -0.0000880300000000, 0.0042070200000000, 0.0016836200000000 ] - [ -0.0002513000000000, 0.0026925700000000, 0.0072470500000000 ] - [ -0.0000736600000000, -0.0015615000000000, 0.0004274800000000 ] - [ 0.0000523600000000, 0.0002227400000000, -0.0003481800000000 ] - [ -0.0006664600000000, 0.0016640800000000, -0.0010184600000000 ] - [ -0.0003678600000000, 0.0008632100000000, -0.0001224200000000 ] - [ -0.0000555600000000, 0.0001703100000000, 0.0001088400000000 ] - [ 0.0002112300000000, 0.0934669500000000, 0.0556064300000000 ] - [ -0.0004558700000000, -0.0011192200000000, 0.0003955200000000 ] - [ -0.0002148100000000, -0.0004016100000000, -0.0000965700000000 ] - [ -0.0000419600000000, -0.0006591300000000, -0.0003202900000000 ] - [ 0.0003423000000000, -0.0004837500000000, 0.0003390800000000 ] - [ -0.0000985500000000, -0.0001610200000000, -0.0004948400000000 ] - [ -0.0002187400000000, 0.0004306400000000, -0.0001139900000000 ] - [ -0.0001676000000000, 0.0002086500000000, -0.0003518400000000 ] - [ 0.0003660100000000, -0.0001159300000000, -0.0003927100000000 ] - [ -0.0001173600000000, -0.0000124700000000, -0.0001055400000000 ] - [ 0.0008769100000000, 0.0000325700000000, -0.0003758400000000 ] - [ 0.0011912900000000, -0.0003539900000000, -0.0005370500000000 ] - [ -0.0000443700000000, 0.0004614900000000, 0.0000757400000000 ] - [ -0.0001505500000000, -0.0000416600000000, 0.0002905400000000 ] - [ -0.0002390900000000, -0.0000551500000000, 0.0008612600000000 ] - [ -0.0001917300000000, -0.0009076600000000, 0.0003191300000000 ] - [ -0.0009516800000000, 0.0007125900000000, -0.0012831100000000 ] - [ 0.0001857100000000, -0.0002297800000000, 0.0000543900000000 ] - [ 0.0000697700000000, 0.0001677700000000, -0.0001989400000000 ] - [ -0.0031558600000000, 0.0023048800000000, 0.0038506200000000 ] - [ -0.0002388400000000, -0.0000642900000000, -0.0000560200000000 ] - [ 0.0000342200000000, -0.0002705500000000, -0.0000502400000000 ] - [ 0.0000815200000000, 0.0004633500000000, -0.0005867900000000 ] - [ -0.0002891200000000, -0.1122967400000000, -0.0648636000000000 ] - [ 0.0017626400000000, 0.0013686200000000, -0.0016771000000000 ] - [ 0.0022949500000000, 0.0015039300000000, 0.0032975800000000 ] - [ 0.0002885800000000, -0.0001783700000000, -0.0000312300000000 ] - [ 0.0000381600000000, 0.0003285600000000, 0.0002166800000000 ] - [ -0.0002018800000000, -0.0000439300000000, -0.0000603000000000 ] - [ 0.0000549800000000, -0.0008900600000000, 0.0004418000000000 ] - [ -0.0001001600000000, 0.0000085800000000, -0.0003680200000000 ] - [ -0.0003987400000000, -0.0028525300000000, -0.0036535100000000 ] - [ 0.0000637500000000, 0.0039725400000000, -0.0003408800000000 ] - [ 0.0001792600000000, -0.0000155100000000, -0.0000307900000000 ] - [ 0.0004344100000000, 0.0001856900000000, -0.0000330100000000 ] - [ 0.0000909300000000, 0.0002926200000000, -0.0001086800000000 ] - [ -0.0000851100000000, -0.0000077100000000, 0.0000338200000000 ] - [ -0.0000380800000000, 0.0005496200000000, -0.0001098500000000 ] - [ 0.0000028200000000, 0.0000783200000000, 0.0001290300000000 ] - [ -0.0010030100000000, -0.0001489100000000, -0.0006113500000000 ] - [ 0.0002463700000000, -0.0003119600000000, 0.0002801600000000 ] - [ -0.0000239600000000, 0.0010664500000000, -0.0001008900000000 ] - [ -0.0001157900000000, 0.0000098600000000, -0.0001152700000000 ] - [ 0.0001069900000000, 0.0006801000000000, 0.0001663800000000 ] - [ -0.0000353600000000, 0.0003667500000000, 0.0004957600000000 ] - [ -0.0001317400000000, 0.0001614000000000, 0.0002341300000000 ] - [ -0.0001166000000000, 0.0004582000000000, 0.0003595200000000 ] - [ -0.0001546200000000, -0.0003531500000000, 0.0001747400000000 ] - [ 0.0003836200000000, -0.0000028500000000, 0.0000867200000000 ] - [ 0.0000979600000000, 0.0003127400000000, 0.0003517500000000 ] - [ 0.0000549600000000, 0.0001185800000000, -0.0000675600000000 ] - [ -0.0002987300000000, 0.0002440500000000, 0.0003371200000000 ] - [ -0.0002561600000000, -0.0000247800000000, 0.0001178700000000 ] - [ 0.0000424000000000, -0.0001297800000000, 0.0001542100000000 ] - [ -0.0000553000000000, -0.0006184500000000, 0.0003741200000000 ] - [ 0.0000210100000000, 0.0000940800000000, 0.0002560900000000 ] - [ 0.0002190200000000, 0.0001702800000000, 0.0000297900000000 ] - [ -0.0001911200000000, 0.0000882400000000, -0.0001906500000000 ] - [ 0.0001800400000000, -0.0001329600000000, -0.0001505200000000 ] - [ 0.0001615500000000, 0.0001272800000000, 0.0000474300000000 ] - [ -0.0003008100000000, 0.0002784500000000, -0.0002586600000000 ] - [ 0.0000454800000000, 0.0001824200000000, -0.0000316000000000 ] - [ -0.0000234700000000, 0.0000438700000000, -0.0004872000000000 ] - [ 0.0003086000000000, 0.0002805900000000, -0.0002717100000000 ] - [ -0.0001101800000000, 0.0003683600000000, 0.0001071300000000 ] - [ 0.0001830200000000, 0.0001113600000000, 0.0000675300000000 ] - [ 0.0004247100000000, 0.0002469200000000, 0.0000320800000000 ] - [ 0.0001513800000000, 0.0001581400000000, 0.0000597800000000 ] - [ 0.0000235900000000, 0.0009010800000000, 0.0001581200000000 ] - [ -0.0002295000000000, 0.0006885300000000, 0.0001609500000000 ] - [ 0.0000179200000000, 0.0005213700000000, -0.0001161500000000 ] - [ -0.0000197700000000, 0.0003972200000000, 0.0004112000000000 ] - [ 0.0003038900000000, 0.0002618300000000, 0.0002041900000000 ]- atom: 55 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003035600000000, -0.0000808000000000, 0.0002322800000000 ] - [ -0.0008985300000000, -0.0003653200000000, -0.0009108900000000 ] - [ 0.0002156500000000, -0.0006766400000000, -0.0001472000000000 ] - [ 0.0005808100000000, -0.0011622100000000, 0.0010857700000000 ] - [ -0.0002117500000000, 0.0001486900000000, 0.0003571900000000 ] - [ 0.0001221800000000, 0.0001541500000000, -0.0001542100000000 ] - [ -0.0000349600000000, 0.0000137800000000, 0.0003657800000000 ] - [ -0.0000805500000000, -0.0001994100000000, 0.0001570900000000 ] - [ -0.0004392800000000, 0.0002225600000000, -0.0000895300000000 ] - [ -0.0000472900000000, 0.0000737000000000, -0.0000538300000000 ] - [ -0.0000004300000000, 0.0001001300000000, 0.0001303500000000 ] - [ -0.0000664000000000, 0.0003544400000000, -0.0000171300000000 ] - [ -0.0001460900000000, 0.0003196200000000, 0.0000886800000000 ] - [ 0.0002432100000000, 0.0004972200000000, -0.0005415200000000 ] - [ 0.0000507100000000, 0.0000220600000000, -0.0002058500000000 ] - [ 0.0000295700000000, 0.0003631800000000, 0.0001988900000000 ] - [ -0.0018602800000000, -0.0010184200000000, -0.0008369100000000 ] - [ 0.0000241800000000, 0.0000722900000000, 0.0002945800000000 ] - [ -0.0000133200000000, -0.0001289500000000, -0.0001899400000000 ] - [ 0.0018905200000000, -0.0012381200000000, -0.0004816000000000 ] - [ -0.0000505700000000, 0.0010779800000000, -0.0000783500000000 ] - [ 0.0000754900000000, 0.0004989300000000, 0.0002439000000000 ] - [ 0.0001082400000000, 0.0002979300000000, -0.0001061200000000 ] - [ 0.0000933900000000, 0.0008706200000000, 0.0002531200000000 ] - [ -0.0007707000000000, -0.0057602900000000, -0.0019041200000000 ] - [ -0.0002534400000000, -0.0031257600000000, -0.0073602300000000 ] - [ -0.0000703100000000, 0.0013250000000000, -0.0011999700000000 ] - [ 0.0007110000000000, -0.0006307900000000, 0.0004999700000000 ] - [ 0.0005240600000000, -0.0014464100000000, 0.0002174800000000 ] - [ -0.0004660300000000, 0.0005211500000000, -0.0000435800000000 ] - [ -0.0004499200000000, 0.0004416500000000, -0.0003727700000000 ] - [ 0.0005794400000000, -0.0895562600000000, -0.0524207500000000 ] - [ -0.0003778000000000, -0.0002665500000000, -0.0005609700000000 ] - [ -0.0002898300000000, -0.0002139000000000, -0.0001734600000000 ] - [ -0.0001025900000000, 0.0004473700000000, -0.0004854300000000 ] - [ 0.0004168900000000, 0.0000799100000000, -0.0001854500000000 ] - [ -0.0000454900000000, 0.0003751300000000, -0.0003079100000000 ] - [ -0.0006168700000000, 0.0009516000000000, -0.0000530700000000 ] - [ -0.0003365200000000, 0.0004035600000000, 0.0000856000000000 ] - [ 0.0003963300000000, 0.0005184400000000, 0.0005460300000000 ] - [ 0.0002608900000000, -0.0000382000000000, -0.0001646900000000 ] - [ -0.0010828700000000, 0.0000513700000000, 0.0000623600000000 ] - [ -0.0007086300000000, 0.0002887600000000, 0.0008706300000000 ] - [ 0.0000444100000000, 0.0004187900000000, 0.0005694100000000 ] - [ -0.0001654400000000, 0.0000784400000000, 0.0002038000000000 ] - [ 0.0000801600000000, 0.0005228300000000, -0.0001621700000000 ] - [ -0.0001649500000000, 0.0000920600000000, 0.0000190300000000 ] - [ 0.0017904400000000, -0.0010099200000000, 0.0013037100000000 ] - [ -0.0000000100000000, -0.0001609000000000, -0.0001750800000000 ] - [ 0.0000720200000000, -0.0001171700000000, -0.0000717000000000 ] - [ 0.0028237000000000, -0.0023334700000000, -0.0033128500000000 ] - [ -0.0001944600000000, -0.0002037100000000, 0.0000854000000000 ] - [ 0.0000573000000000, 0.0003480800000000, 0.0000470600000000 ] - [ -0.0000795300000000, -0.0013634300000000, 0.0012331300000000 ] - [ 0.0002628000000000, 0.1080737100000000, 0.0616125800000000 ] - [ -0.0013857500000000, -0.0013442100000000, 0.0015552700000000 ] - [ -0.0028757700000000, -0.0018143300000000, -0.0037378500000000 ] - [ 0.0001750800000000, -0.0002528200000000, -0.0001987800000000 ] - [ 0.0002531100000000, 0.0000071000000000, -0.0001631300000000 ] - [ -0.0003993800000000, 0.0003703700000000, -0.0004290900000000 ] - [ 0.0000349100000000, 0.0008130100000000, -0.0004399000000000 ] - [ -0.0001006400000000, -0.0000940300000000, 0.0000522600000000 ] - [ 0.0009161700000000, 0.0033907700000000, 0.0035389200000000 ] - [ -0.0004922300000000, -0.0036117400000000, 0.0003562200000000 ] - [ 0.0001769100000000, 0.0000012000000000, -0.0000626400000000 ] - [ 0.0004196700000000, 0.0001149500000000, 0.0000766300000000 ] - [ 0.0000954100000000, 0.0000998900000000, -0.0000131900000000 ] - [ 0.0003686300000000, -0.0003292000000000, 0.0000206400000000 ] - [ -0.0003142000000000, 0.0002653700000000, 0.0004432800000000 ] - [ 0.0000124300000000, 0.0004478900000000, -0.0001011500000000 ] - [ 0.0008298100000000, -0.0003085800000000, 0.0012933500000000 ] - [ 0.0002237800000000, 0.0003836400000000, 0.0000684900000000 ] - [ 0.0001572600000000, -0.0011028600000000, -0.0001683600000000 ] - [ -0.0000858100000000, 0.0000778300000000, -0.0001985400000000 ] - [ 0.0003641200000000, -0.0007469700000000, 0.0001822600000000 ] - [ 0.0000359600000000, 0.0005126500000000, 0.0001505100000000 ] - [ -0.0001835000000000, -0.0001246900000000, 0.0002605200000000 ] - [ -0.0000455500000000, 0.0000112300000000, 0.0003420700000000 ] - [ -0.0001995500000000, -0.0004623600000000, 0.0001616600000000 ] - [ 0.0004729300000000, -0.0002963100000000, -0.0000414300000000 ] - [ 0.0000868800000000, -0.0007071300000000, -0.0004778700000000 ] - [ 0.0000864300000000, -0.0000698300000000, -0.0002025600000000 ] - [ -0.0000170600000000, -0.0002793400000000, 0.0001581900000000 ] - [ -0.0001768200000000, -0.0002445100000000, -0.0000866600000000 ] - [ 0.0000490400000000, 0.0001875600000000, -0.0001511700000000 ] - [ 0.0000560600000000, -0.0002621700000000, 0.0002719100000000 ] - [ -0.0000055000000000, -0.0006178100000000, -0.0002283200000000 ] - [ 0.0001352300000000, -0.0001544400000000, -0.0001230700000000 ] - [ -0.0004110500000000, -0.0004092100000000, -0.0002979400000000 ] - [ 0.0002830100000000, -0.0002959200000000, -0.0000810300000000 ] - [ 0.0001293100000000, 0.0002069200000000, 0.0000080500000000 ] - [ -0.0002995100000000, 0.0000421400000000, -0.0002306300000000 ] - [ 0.0000448800000000, -0.0002578000000000, 0.0000311400000000 ] - [ -0.0001780100000000, -0.0001297400000000, 0.0001726700000000 ] - [ 0.0001544000000000, 0.0001476600000000, 0.0000401600000000 ] - [ -0.0003213600000000, -0.0000967400000000, -0.0000741000000000 ] - [ 0.0001732900000000, -0.0001258700000000, -0.0001599000000000 ] - [ 0.0004304900000000, 0.0000539200000000, 0.0000120800000000 ] - [ 0.0000351400000000, 0.0002327400000000, -0.0001798500000000 ] - [ 0.0002672300000000, -0.0012389200000000, -0.0001018700000000 ] - [ -0.0001252800000000, 0.0001282400000000, 0.0001787800000000 ] - [ -0.0000022900000000, 0.0000045100000000, 0.0001433400000000 ] - [ -0.0001410000000000, -0.0008613100000000, 0.0002902400000000 ] - [ 0.0001677100000000, -0.0001892600000000, 0.0001438700000000 ]- atom: 55 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ 0.0000491700000000, -0.0001661100000000, 0.0000253500000000 ] - [ 0.0001954000000000, 0.0002064700000000, 0.0007990200000000 ] - [ -0.0020318200000000, -0.0003658800000000, 0.0026473600000000 ] - [ -0.0001174000000000, 0.0000842900000000, -0.0006129200000000 ] - [ 0.0001913500000000, -0.0000075800000000, -0.0002407500000000 ] - [ -0.0001521400000000, 0.0000943100000000, -0.0002966800000000 ] - [ -0.0001638000000000, -0.0005826700000000, -0.0006924400000000 ] - [ -0.0000434700000000, 0.0002164100000000, 0.0000701500000000 ] - [ -0.0001903700000000, -0.0001932900000000, 0.0002074400000000 ] - [ -0.0000837900000000, -0.0003041200000000, -0.0000482500000000 ] - [ 0.0000333100000000, -0.0002897700000000, 0.0001367300000000 ] - [ -0.0000239300000000, 0.0000737400000000, -0.0001104200000000 ] - [ -0.0000966900000000, 0.0001567700000000, 0.0002440400000000 ] - [ 0.0000759400000000, 0.0001269800000000, -0.0001764400000000 ] - [ -0.0000159700000000, -0.0000969900000000, -0.0001444600000000 ] - [ -0.0000311300000000, 0.0000547500000000, 0.0000690700000000 ] - [ 0.0016437100000000, -0.0000940800000000, 0.0026909900000000 ] - [ 0.0001570200000000, 0.0003919600000000, -0.0000024600000000 ] - [ 0.0000493500000000, 0.0001693800000000, -0.0002096800000000 ] - [ -0.0007236300000000, -0.0002155600000000, 0.0025381500000000 ] - [ 0.0001243100000000, -0.0004883400000000, -0.0005060200000000 ] - [ 0.0000619700000000, -0.0000670500000000, 0.0000520900000000 ] - [ 0.0000476100000000, -0.0003402000000000, -0.0002778400000000 ] - [ 0.0000133000000000, -0.0006725000000000, -0.0000455900000000 ] - [ -0.0006342100000000, 0.0001561500000000, -0.0015165400000000 ] - [ -0.0004014500000000, -0.0003429600000000, 0.0000895500000000 ] - [ -0.0000481100000000, -0.0011081100000000, 0.0001087000000000 ] - [ 0.0001644500000000, -0.0000165800000000, -0.0000763800000000 ] - [ -0.0001905300000000, 0.0009651200000000, -0.0004409000000000 ] - [ -0.0004650100000000, 0.0007000600000000, -0.0002140700000000 ] - [ -0.0001957100000000, 0.0003209500000000, -0.0001352600000000 ] - [ -0.0032978700000000, 0.0547847000000000, 0.0529119800000000 ] - [ -0.0002021400000000, -0.0007193200000000, 0.0004093900000000 ] - [ -0.0002265300000000, -0.0003285000000000, -0.0000424400000000 ] - [ -0.0000715100000000, -0.0003366600000000, -0.0004015400000000 ] - [ 0.0004116700000000, -0.0003320200000000, 0.0001328700000000 ] - [ -0.0000656600000000, -0.0000025000000000, -0.0004573500000000 ] - [ -0.0002693500000000, 0.0006115000000000, -0.0001068300000000 ] - [ -0.0003071800000000, 0.0002040900000000, -0.0001610700000000 ] - [ 0.0004471700000000, 0.0000154200000000, -0.0003984200000000 ] - [ -0.0004410700000000, -0.0001050800000000, -0.0003727200000000 ] - [ 0.0005308000000000, -0.0002937600000000, -0.0006037200000000 ] - [ 0.0006003300000000, 0.0003777000000000, -0.0008846900000000 ] - [ -0.0000553100000000, 0.0004478000000000, 0.0001912500000000 ] - [ -0.0001220000000000, -0.0000573600000000, 0.0002754400000000 ] - [ -0.0003984900000000, 0.0000838700000000, 0.0008565300000000 ] - [ -0.0002835900000000, -0.0006425100000000, 0.0003044600000000 ] - [ 0.0008387600000000, -0.0010786500000000, -0.0008073800000000 ] - [ 0.0001787400000000, -0.0001941000000000, -0.0001594600000000 ] - [ 0.0000469200000000, 0.0000075700000000, -0.0001970900000000 ] - [ -0.0046492900000000, 0.0085134500000000, 0.0045359300000000 ] - [ -0.0002089100000000, -0.0001781700000000, 0.0000374200000000 ] - [ -0.0000054700000000, -0.0001351400000000, -0.0001719100000000 ] - [ 0.0000799100000000, -0.0005778100000000, 0.0000712600000000 ] - [ 0.0060678000000000, -0.0608160000000000, -0.0641604700000000 ] - [ -0.0001004500000000, -0.0018919600000000, -0.0005933200000000 ] - [ 0.0040405400000000, 0.0049048500000000, 0.0014930000000000 ] - [ 0.0003299400000000, -0.0002246100000000, 0.0001007700000000 ] - [ 0.0000750100000000, 0.0001699400000000, 0.0001225100000000 ] - [ -0.0003137000000000, 0.0000919500000000, -0.0002215300000000 ] - [ -0.0000048000000000, -0.0006577500000000, 0.0005959600000000 ] - [ 0.0000127400000000, 0.0001431800000000, -0.0004530700000000 ] - [ 0.0011841800000000, -0.0052348700000000, 0.0024412100000000 ] - [ -0.0002199700000000, -0.0001645800000000, -0.0003917000000000 ] - [ 0.0001863000000000, -0.0000425500000000, 0.0000014600000000 ] - [ 0.0004767900000000, 0.0001103000000000, 0.0000751300000000 ] - [ 0.0001133200000000, 0.0001698900000000, -0.0001101500000000 ] - [ 0.0003754200000000, 0.0000018800000000, -0.0001715700000000 ] - [ -0.0001893400000000, 0.0005429500000000, -0.0002998400000000 ] - [ 0.0000569800000000, 0.0001525900000000, 0.0001506800000000 ] - [ -0.0025009800000000, -0.0003772100000000, -0.0002588100000000 ] - [ 0.0001799400000000, -0.0001450800000000, 0.0003798100000000 ] - [ -0.0002847400000000, 0.0013404100000000, 0.0000285400000000 ] - [ -0.0001168200000000, 0.0000279900000000, -0.0001431500000000 ] - [ 0.0000925600000000, 0.0001216300000000, 0.0001942700000000 ] - [ -0.0000540300000000, 0.0004657900000000, 0.0005481000000000 ] - [ -0.0001471200000000, 0.0000912700000000, 0.0002703000000000 ] - [ -0.0000967400000000, 0.0003589800000000, 0.0003633000000000 ] - [ -0.0001485900000000, -0.0003841300000000, 0.0001956100000000 ] - [ 0.0003674100000000, -0.0000790000000000, 0.0001056900000000 ] - [ 0.0000967000000000, -0.0002309700000000, -0.0001237300000000 ] - [ 0.0001183800000000, 0.0001438700000000, -0.0000403800000000 ] - [ -0.0003651000000000, 0.0001923900000000, 0.0003375100000000 ] - [ -0.0002057200000000, -0.0000010100000000, 0.0000538600000000 ] - [ 0.0000720100000000, 0.0002732500000000, -0.0000476600000000 ] - [ -0.0000783700000000, -0.0004532400000000, 0.0002831600000000 ] - [ -0.0000085400000000, -0.0000385400000000, 0.0002261800000000 ] - [ 0.0002403000000000, 0.0000674400000000, 0.0000149700000000 ] - [ -0.0002083100000000, -0.0000153700000000, -0.0001946400000000 ] - [ 0.0002107800000000, -0.0002532900000000, -0.0000927900000000 ] - [ 0.0001864700000000, 0.0002052100000000, 0.0000405100000000 ] - [ -0.0003069400000000, 0.0002201500000000, -0.0002182300000000 ] - [ 0.0000395900000000, 0.0000863900000000, -0.0000187100000000 ] - [ -0.0000360100000000, 0.0000423500000000, -0.0001664100000000 ] - [ 0.0002312700000000, 0.0003740200000000, -0.0003303700000000 ] - [ -0.0001053500000000, 0.0002448300000000, 0.0000640900000000 ] - [ 0.0001801600000000, 0.0000875600000000, 0.0000067100000000 ] - [ 0.0004297200000000, 0.0002106600000000, 0.0000601300000000 ] - [ 0.0001638200000000, 0.0001713200000000, 0.0000606100000000 ] - [ 0.0001641300000000, 0.0006826400000000, 0.0001780300000000 ] - [ -0.0001944500000000, 0.0004309100000000, 0.0001845300000000 ] - [ -0.0000013300000000, 0.0003887800000000, -0.0000239200000000 ] - [ 0.0000148100000000, -0.0000881500000000, 0.0003802400000000 ] - [ 0.0002526700000000, 0.0001528600000000, 0.0002101600000000 ]- atom: 55 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0002595700000000, -0.0001788200000000, 0.0002614300000000 ] - [ -0.0002441500000000, -0.0005360300000000, -0.0009140900000000 ] - [ 0.0019032800000000, 0.0000434100000000, -0.0023216400000000 ] - [ 0.0000414900000000, 0.0002442400000000, 0.0004670400000000 ] - [ -0.0003995200000000, 0.0003519500000000, 0.0005256000000000 ] - [ 0.0001427000000000, 0.0000982900000000, -0.0001015500000000 ] - [ 0.0001515100000000, 0.0003898300000000, 0.0002945300000000 ] - [ 0.0000077400000000, 0.0000581700000000, 0.0001800800000000 ] - [ -0.0000214600000000, -0.0001517900000000, 0.0000791400000000 ] - [ 0.0000175100000000, -0.0000176600000000, -0.0000750500000000 ] - [ -0.0000692400000000, 0.0000154000000000, 0.0001140500000000 ] - [ -0.0000419200000000, 0.0002483700000000, -0.0000129800000000 ] - [ -0.0001135200000000, 0.0001896000000000, 0.0000427900000000 ] - [ -0.0000848500000000, 0.0000656200000000, -0.0002222600000000 ] - [ 0.0000059100000000, -0.0000946500000000, -0.0002536600000000 ] - [ -0.0000051600000000, 0.0002196400000000, 0.0001810900000000 ] - [ -0.0014756100000000, 0.0003427500000000, -0.0030293400000000 ] - [ -0.0000900100000000, -0.0000443800000000, 0.0002534800000000 ] - [ 0.0001219500000000, -0.0004130200000000, -0.0001409400000000 ] - [ 0.0008003100000000, -0.0001285600000000, -0.0022839300000000 ] - [ 0.0000496800000000, 0.0007360700000000, 0.0001579700000000 ] - [ 0.0000080000000000, 0.0004116000000000, 0.0001977700000000 ] - [ 0.0001237900000000, 0.0000963100000000, -0.0000735600000000 ] - [ 0.0000533300000000, 0.0003290000000000, 0.0002974700000000 ] - [ -0.0002158300000000, -0.0015176000000000, 0.0014029200000000 ] - [ -0.0001015700000000, -0.0002800300000000, -0.0003861500000000 ] - [ -0.0000897400000000, 0.0009007100000000, -0.0009017900000000 ] - [ 0.0005994000000000, -0.0003901900000000, 0.0002286900000000 ] - [ 0.0000477800000000, -0.0007599100000000, -0.0003767300000000 ] - [ -0.0003712000000000, 0.0006878200000000, 0.0000467000000000 ] - [ -0.0003096500000000, 0.0002946300000000, -0.0001292100000000 ] - [ 0.0042511000000000, -0.0526248400000000, -0.0519941200000000 ] - [ -0.0006314700000000, -0.0006675400000000, -0.0005763700000000 ] - [ -0.0002788100000000, -0.0002840500000000, -0.0002206300000000 ] - [ -0.0000720400000000, 0.0001257700000000, -0.0003996400000000 ] - [ 0.0003485900000000, -0.0000729200000000, 0.0000185700000000 ] - [ -0.0000777100000000, 0.0002137800000000, -0.0003444400000000 ] - [ -0.0005648200000000, 0.0007769900000000, -0.0000601200000000 ] - [ -0.0001991800000000, 0.0004099100000000, -0.0001027100000000 ] - [ 0.0003133300000000, 0.0003890100000000, 0.0005515100000000 ] - [ 0.0005795200000000, 0.0000490900000000, 0.0001012500000000 ] - [ -0.0007413600000000, 0.0003824500000000, 0.0003063300000000 ] - [ -0.0001357300000000, -0.0004573400000000, 0.0012450100000000 ] - [ 0.0000555100000000, 0.0004356600000000, 0.0004551300000000 ] - [ -0.0001941800000000, 0.0000935400000000, 0.0002165000000000 ] - [ 0.0002391700000000, 0.0003825800000000, -0.0001609300000000 ] - [ -0.0000680500000000, -0.0001729300000000, 0.0000302000000000 ] - [ 0.0000196400000000, 0.0007695900000000, 0.0008591600000000 ] - [ 0.0000070100000000, -0.0001935600000000, 0.0000388200000000 ] - [ 0.0000913400000000, 0.0000439500000000, -0.0000743800000000 ] - [ 0.0042648700000000, -0.0084298200000000, -0.0039833800000000 ] - [ -0.0002238900000000, -0.0000896200000000, -0.0000067200000000 ] - [ 0.0000961500000000, 0.0002110700000000, 0.0001705300000000 ] - [ -0.0000788000000000, -0.0002916700000000, 0.0005668000000000 ] - [ -0.0061713000000000, 0.0584407200000000, 0.0633851400000000 ] - [ 0.0004635700000000, 0.0019225300000000, 0.0005032500000000 ] - [ -0.0046031900000000, -0.0051920400000000, -0.0020043800000000 ] - [ 0.0001323600000000, -0.0002061300000000, -0.0003315900000000 ] - [ 0.0002187100000000, 0.0001683400000000, -0.0000643600000000 ] - [ -0.0002853500000000, 0.0002295500000000, -0.0002693400000000 ] - [ 0.0000968700000000, 0.0005833000000000, -0.0005974000000000 ] - [ -0.0002153300000000, -0.0002271400000000, 0.0001407800000000 ] - [ -0.0006910700000000, 0.0056325100000000, -0.0027684100000000 ] - [ -0.0002116200000000, 0.0004176300000000, 0.0004228300000000 ] - [ 0.0001701200000000, 0.0000300400000000, -0.0000930900000000 ] - [ 0.0003768400000000, 0.0001922000000000, -0.0000306700000000 ] - [ 0.0000733200000000, 0.0002187100000000, -0.0000095400000000 ] - [ -0.0000804000000000, -0.0003401500000000, 0.0002278300000000 ] - [ -0.0001659100000000, 0.0002685800000000, 0.0006329700000000 ] - [ -0.0000417000000000, 0.0003710800000000, -0.0001248900000000 ] - [ 0.0023526700000000, -0.0000842400000000, 0.0009486000000000 ] - [ 0.0002923600000000, 0.0002151300000000, -0.0000330000000000 ] - [ 0.0004274000000000, -0.0013986800000000, -0.0003023100000000 ] - [ -0.0000852900000000, 0.0000563800000000, -0.0001719700000000 ] - [ 0.0003799400000000, -0.0001920300000000, 0.0001542700000000 ] - [ 0.0000542600000000, 0.0004179600000000, 0.0000976900000000 ] - [ -0.0001684800000000, -0.0000551300000000, 0.0002218800000000 ] - [ -0.0000671500000000, 0.0001066000000000, 0.0003390600000000 ] - [ -0.0002057700000000, -0.0004279000000000, 0.0001393200000000 ] - [ 0.0004870100000000, -0.0002246300000000, -0.0000607800000000 ] - [ 0.0000905200000000, -0.0001527100000000, 0.0000103700000000 ] - [ 0.0000203300000000, -0.0000922800000000, -0.0002310300000000 ] - [ 0.0000502100000000, -0.0002292900000000, 0.0001542700000000 ] - [ -0.0002268600000000, -0.0002660400000000, -0.0000229000000000 ] - [ 0.0000187700000000, -0.0001981800000000, 0.0000466400000000 ] - [ 0.0000786500000000, -0.0004296100000000, 0.0003633800000000 ] - [ 0.0000248000000000, -0.0004850800000000, -0.0001997200000000 ] - [ 0.0001166800000000, -0.0000565200000000, -0.0001065100000000 ] - [ -0.0003921000000000, -0.0003048900000000, -0.0002974200000000 ] - [ 0.0002522600000000, -0.0001786500000000, -0.0001375000000000 ] - [ 0.0001073500000000, 0.0001337700000000, 0.0000156900000000 ] - [ -0.0002926700000000, 0.0000993700000000, -0.0002734600000000 ] - [ 0.0000509200000000, -0.0001609300000000, 0.0000178700000000 ] - [ -0.0001654200000000, -0.0001271100000000, -0.0001492700000000 ] - [ 0.0002312600000000, 0.0000589600000000, 0.0000995400000000 ] - [ -0.0003278900000000, 0.0000215600000000, -0.0000333600000000 ] - [ 0.0001771200000000, -0.0000992300000000, -0.0000977200000000 ] - [ 0.0004250500000000, 0.0000923400000000, -0.0000140300000000 ] - [ 0.0000227800000000, 0.0002170300000000, -0.0001799900000000 ] - [ 0.0001259300000000, -0.0010308000000000, -0.0001233300000000 ] - [ -0.0001597300000000, 0.0003818100000000, 0.0001497000000000 ] - [ 0.0000171700000000, 0.0001348300000000, 0.0000511300000000 ] - [ -0.0001792900000000, -0.0003784700000000, 0.0003222400000000 ] - [ 0.0002197200000000, -0.0000829500000000, 0.0001392600000000 ]- atom: 56 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0000301400000000, -0.0000868400000000, 0.0001249800000000 ] - [ 0.0001305500000000, -0.0001277400000000, -0.0000667800000000 ] - [ -0.0002227900000000, -0.0004862100000000, 0.0001609300000000 ] - [ -0.0000908500000000, -0.0002760600000000, -0.0005783700000000 ] - [ -0.0001799300000000, 0.0001947100000000, 0.0002110200000000 ] - [ -0.0000781900000000, 0.0001294200000000, -0.0001542100000000 ] - [ 0.0002125100000000, -0.0002866200000000, 0.0004087000000000 ] - [ -0.0001898800000000, 0.0001834300000000, 0.0003115500000000 ] - [ -0.0004908400000000, 0.0003433300000000, -0.0000425600000000 ] - [ -0.0001424000000000, -0.0001560200000000, -0.0000913400000000 ] - [ 0.0000661500000000, -0.0002091900000000, 0.0001322900000000 ] - [ -0.0000252000000000, 0.0001695900000000, -0.0000594700000000 ] - [ -0.0001054600000000, 0.0001933800000000, 0.0001755200000000 ] - [ 0.0006756800000000, 0.0003454300000000, -0.0003794300000000 ] - [ -0.0000025400000000, -0.0000750500000000, -0.0002013000000000 ] - [ -0.0000220300000000, 0.0001498800000000, 0.0000986300000000 ] - [ -0.0032754500000000, -0.0012597500000000, 0.0017244900000000 ] - [ 0.0001363900000000, 0.0002050200000000, 0.0001645000000000 ] - [ 0.0000244000000000, -0.0000808000000000, -0.0001098300000000 ] - [ 0.0069013700000000, -0.0015265700000000, 0.0097163000000000 ] - [ 0.0001719800000000, 0.0001633700000000, -0.0001854000000000 ] - [ 0.0002921600000000, 0.0000474500000000, 0.0002071100000000 ] - [ -0.0000768800000000, -0.0000477700000000, -0.0002459100000000 ] - [ -0.0000471400000000, -0.0001127700000000, 0.0001302000000000 ] - [ -0.0004725700000000, -0.0007342800000000, -0.0000812500000000 ] - [ 0.0574322000000000, -0.0085934100000000, -0.0396135600000000 ] - [ -0.0031194800000000, -0.0010848800000000, -0.0016559000000000 ] - [ 0.0002602400000000, -0.0002381800000000, 0.0000763400000000 ] - [ -0.0001097000000000, 0.0001440800000000, -0.0002002700000000 ] - [ -0.0007091800000000, 0.0008694400000000, -0.0001177400000000 ] - [ -0.0001927900000000, 0.0003289300000000, -0.0001435900000000 ] - [ 0.0059437100000000, -0.0021231100000000, -0.0008213900000000 ] - [ -0.0033358500000000, -0.0001699500000000, -0.0006303800000000 ] - [ -0.0002832200000000, -0.0002354800000000, 0.0001423200000000 ] - [ -0.0000944500000000, 0.0001347000000000, -0.0004741300000000 ] - [ 0.0005005500000000, -0.0001539300000000, 0.0000458300000000 ] - [ -0.0000419600000000, 0.0001090000000000, -0.0003751300000000 ] - [ -0.0003506500000000, 0.0007403100000000, -0.0000472700000000 ] - [ -0.0005370600000000, -0.0000551300000000, -0.0000051600000000 ] - [ 0.0003473700000000, 0.0001375800000000, -0.0001518900000000 ] - [ 0.0008029600000000, -0.0007486500000000, -0.0003308700000000 ] - [ 0.0002244900000000, 0.0001508700000000, 0.0002117800000000 ] - [ 0.0036861600000000, -0.0009673200000000, 0.0012350500000000 ] - [ 0.0000936500000000, 0.0005139700000000, -0.0005067800000000 ] - [ -0.0001174800000000, 0.0000451600000000, 0.0002384400000000 ] - [ -0.0000698000000000, 0.0001887500000000, 0.0002965000000000 ] - [ -0.0003331800000000, -0.0002940700000000, -0.0001210100000000 ] - [ 0.0124629800000000, 0.0009328300000000, -0.0045673800000000 ] - [ 0.0060744100000000, -0.0007147500000000, -0.0009406400000000 ] - [ 0.0000751200000000, -0.0000693600000000, -0.0001876000000000 ] - [ 0.0008877400000000, 0.0014342800000000, -0.0015211500000000 ] - [ -0.0002214400000000, -0.0001565600000000, 0.0000327400000000 ] - [ 0.0010748500000000, -0.0001661800000000, 0.0005195400000000 ] - [ 0.0000121500000000, -0.0004444500000000, 0.0002150700000000 ] - [ -0.0004673300000000, 0.0013103600000000, -0.0004583900000000 ] - [ -0.0876762000000000, 0.0123084600000000, 0.0374434200000000 ] - [ -0.0024810700000000, -0.0005174100000000, 0.0010098300000000 ] - [ 0.0003677800000000, -0.0003279100000000, -0.0000516900000000 ] - [ 0.0001219900000000, 0.0001157600000000, 0.0000367500000000 ] - [ -0.0002814800000000, 0.0001918900000000, -0.0002238600000000 ] - [ 0.0000079600000000, -0.0001068900000000, -0.0006761600000000 ] - [ 0.0003058300000000, 0.0000228600000000, -0.0000152100000000 ] - [ 0.0002670600000000, 0.0000166900000000, -0.0000817200000000 ] - [ -0.0003915100000000, -0.0024539700000000, -0.0044728300000000 ] - [ 0.0001787600000000, -0.0000113300000000, -0.0000577700000000 ] - [ 0.0004293300000000, 0.0001435900000000, 0.0000302700000000 ] - [ 0.0001134500000000, 0.0001832900000000, -0.0000968900000000 ] - [ 0.0033270500000000, 0.0016380700000000, 0.0029624600000000 ] - [ -0.0004166900000000, 0.0001741600000000, 0.0003403800000000 ] - [ 0.0000424200000000, 0.0002609600000000, 0.0000338200000000 ] - [ 0.0009025200000000, 0.0001106500000000, 0.0004320900000000 ] - [ 0.0001783700000000, 0.0000301100000000, 0.0000543100000000 ] - [ 0.0000253300000000, 0.0000589500000000, -0.0000989500000000 ] - [ -0.0000939800000000, 0.0000287900000000, -0.0001710300000000 ] - [ 0.0002628800000000, -0.0001698400000000, 0.0001516900000000 ] - [ -0.0000159700000000, 0.0004355600000000, 0.0003378100000000 ] - [ -0.0001806000000000, -0.0000065800000000, 0.0001952000000000 ] - [ -0.0000664300000000, 0.0002522000000000, 0.0003509000000000 ] - [ -0.0001516900000000, -0.0003999800000000, 0.0002358100000000 ] - [ 0.0003754800000000, -0.0001909000000000, 0.0000048200000000 ] - [ 0.0000916400000000, -0.0001585900000000, -0.0000188900000000 ] - [ 0.0002913400000000, 0.0000639900000000, 0.0000877000000000 ] - [ -0.0002087800000000, -0.0000044800000000, 0.0002698300000000 ] - [ -0.0000527000000000, -0.0000886000000000, 0.0001885800000000 ] - [ -0.0000265100000000, 0.0001560500000000, 0.0000446400000000 ] - [ 0.0003364900000000, 0.0002487700000000, 0.0005752800000000 ] - [ -0.0000266100000000, -0.0002202000000000, 0.0000668700000000 ] - [ 0.0002343000000000, -0.0000291400000000, -0.0000616600000000 ] - [ -0.0002523100000000, -0.0001453200000000, -0.0002246900000000 ] - [ 0.0002227400000000, -0.0002427900000000, -0.0001179500000000 ] - [ 0.0000170400000000, 0.0001275300000000, 0.0001651600000000 ] - [ -0.0003178900000000, 0.0001466900000000, -0.0003287900000000 ] - [ 0.0000378600000000, -0.0000436400000000, -0.0000111300000000 ] - [ -0.0000827100000000, -0.0000603100000000, -0.0000572800000000 ] - [ 0.0010077300000000, 0.0002929700000000, -0.0000239800000000 ] - [ -0.0001753300000000, 0.0000394900000000, -0.0001349700000000 ] - [ 0.0002343100000000, 0.0000301000000000, -0.0003695700000000 ] - [ 0.0003268600000000, 0.0002514000000000, -0.0000946100000000 ] - [ 0.0000896400000000, 0.0001750900000000, 0.0001921300000000 ] - [ 0.0001327300000000, -0.0000853700000000, 0.0000352000000000 ] - [ -0.0001568100000000, 0.0003325800000000, 0.0001165300000000 ] - [ -0.0000143900000000, 0.0002563800000000, 0.0000077400000000 ] - [ -0.0001025100000000, -0.0003830500000000, 0.0003386500000000 ] - [ 0.0001893400000000, 0.0000690900000000, 0.0001680500000000 ]- atom: 56 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0001794800000000, -0.0002584400000000, 0.0001619400000000 ] - [ -0.0001943300000000, -0.0001942200000000, -0.0000572300000000 ] - [ 0.0001842400000000, 0.0002131400000000, 0.0000910500000000 ] - [ 0.0000129700000000, 0.0005924700000000, 0.0004521700000000 ] - [ -0.0000309600000000, 0.0001510800000000, 0.0000747700000000 ] - [ 0.0000676100000000, 0.0000629900000000, -0.0002434000000000 ] - [ -0.0002221600000000, 0.0000947200000000, -0.0008062700000000 ] - [ 0.0001483900000000, 0.0000946600000000, -0.0000553300000000 ] - [ 0.0002782800000000, -0.0006932800000000, 0.0003264900000000 ] - [ 0.0000757300000000, -0.0001652400000000, -0.0000321400000000 ] - [ -0.0001018900000000, -0.0000652600000000, 0.0001189800000000 ] - [ -0.0000406700000000, 0.0001522100000000, -0.0000634800000000 ] - [ -0.0001050500000000, 0.0001532900000000, 0.0001110600000000 ] - [ -0.0006821700000000, -0.0001552700000000, -0.0000216500000000 ] - [ -0.0000072600000000, -0.0001163400000000, -0.0001971400000000 ] - [ -0.0000142800000000, 0.0001249200000000, 0.0001524700000000 ] - [ 0.0034731600000000, 0.0015089200000000, -0.0020981600000000 ] - [ -0.0000669300000000, 0.0001410700000000, 0.0000842400000000 ] - [ 0.0001482000000000, -0.0001636600000000, -0.0002412700000000 ] - [ -0.0065144000000000, 0.0010710800000000, -0.0089769700000000 ] - [ 0.0000000800000000, 0.0000831900000000, -0.0001658500000000 ] - [ -0.0002194800000000, 0.0002957900000000, 0.0000427900000000 ] - [ 0.0002460200000000, -0.0001983200000000, -0.0001056000000000 ] - [ 0.0001161500000000, -0.0002324000000000, 0.0001191400000000 ] - [ -0.0003633900000000, -0.0006521300000000, -0.0000851500000000 ] - [ -0.0601502500000000, 0.0085425300000000, 0.0414312200000000 ] - [ 0.0029632800000000, 0.0008599600000000, 0.0008470200000000 ] - [ 0.0004982100000000, -0.0001667200000000, 0.0000758700000000 ] - [ -0.0000384800000000, 0.0000688300000000, -0.0006035800000000 ] - [ -0.0001261600000000, 0.0005158800000000, -0.0000481000000000 ] - [ -0.0003118300000000, 0.0002853900000000, -0.0001212500000000 ] - [ -0.0052377000000000, 0.0025474200000000, 0.0010157100000000 ] - [ 0.0025013100000000, -0.0012101200000000, 0.0004572200000000 ] - [ -0.0002226100000000, -0.0003770100000000, -0.0004040200000000 ] - [ -0.0000489300000000, -0.0003441600000000, -0.0003296500000000 ] - [ 0.0002594900000000, -0.0002499000000000, 0.0001052700000000 ] - [ -0.0001013600000000, 0.0001036000000000, -0.0004262400000000 ] - [ -0.0004849000000000, 0.0006467800000000, -0.0001199200000000 ] - [ 0.0000268400000000, 0.0006735000000000, -0.0002585100000000 ] - [ 0.0004129500000000, 0.0002671600000000, 0.0003020000000000 ] - [ -0.0006659300000000, 0.0006987400000000, 0.0000686800000000 ] - [ -0.0004153500000000, -0.0000657800000000, -0.0005308000000000 ] - [ -0.0031783300000000, 0.0008790800000000, -0.0008844000000000 ] - [ -0.0000934700000000, 0.0003709300000000, 0.0011497900000000 ] - [ -0.0001985100000000, -0.0000089400000000, 0.0002541800000000 ] - [ -0.0000942800000000, 0.0002794900000000, 0.0004056200000000 ] - [ -0.0000248500000000, -0.0005195500000000, 0.0004579400000000 ] - [ -0.0118849100000000, -0.0012313400000000, 0.0047259700000000 ] - [ -0.0058752300000000, 0.0003360800000000, 0.0007677400000000 ] - [ 0.0000638800000000, 0.0001212600000000, -0.0000836000000000 ] - [ -0.0012197800000000, -0.0014870700000000, 0.0020434300000000 ] - [ -0.0002115700000000, -0.0001122100000000, -0.0000017200000000 ] - [ -0.0009755200000000, 0.0002297600000000, -0.0005128900000000 ] - [ -0.0000116800000000, -0.0004386800000000, 0.0004309900000000 ] - [ 0.0004959100000000, -0.0018279000000000, 0.0004776600000000 ] - [ 0.0902037500000000, -0.0127575700000000, -0.0402101200000000 ] - [ 0.0018919800000000, 0.0002023300000000, -0.0015128800000000 ] - [ 0.0000959700000000, -0.0001025800000000, -0.0001809200000000 ] - [ 0.0001707700000000, 0.0002210700000000, 0.0000192200000000 ] - [ -0.0003179700000000, 0.0001280200000000, -0.0002669400000000 ] - [ 0.0000782400000000, 0.0000296700000000, 0.0006756700000000 ] - [ -0.0005062500000000, -0.0001127200000000, -0.0002983000000000 ] - [ 0.0001972800000000, 0.0004130500000000, -0.0001495100000000 ] - [ -0.0000332800000000, 0.0027134300000000, 0.0045233700000000 ] - [ 0.0001784500000000, -0.0000015100000000, -0.0000339700000000 ] - [ 0.0004248500000000, 0.0001588600000000, 0.0000147900000000 ] - [ 0.0000735700000000, 0.0002060600000000, -0.0000221600000000 ] - [ -0.0030321500000000, -0.0019590300000000, -0.0028839600000000 ] - [ 0.0000468400000000, 0.0006472900000000, -0.0000256700000000 ] - [ -0.0000261400000000, 0.0002637200000000, -0.0000070000000000 ] - [ -0.0010720000000000, -0.0005738400000000, 0.0002691800000000 ] - [ 0.0002937300000000, 0.0000389800000000, 0.0002939600000000 ] - [ 0.0001140600000000, -0.0001094800000000, -0.0001724300000000 ] - [ -0.0001079500000000, 0.0000564400000000, -0.0001442400000000 ] - [ 0.0002093000000000, 0.0000984100000000, 0.0001970800000000 ] - [ 0.0000164600000000, 0.0004480600000000, 0.0003086900000000 ] - [ -0.0001343800000000, 0.0000423700000000, 0.0002987200000000 ] - [ -0.0000965900000000, 0.0002146000000000, 0.0003510500000000 ] - [ -0.0002026800000000, -0.0004129400000000, 0.0000996100000000 ] - [ 0.0004788700000000, -0.0001120900000000, 0.0000401900000000 ] - [ 0.0000948800000000, -0.0002307700000000, -0.0001000200000000 ] - [ -0.0001509800000000, -0.0000114600000000, -0.0003587700000000 ] - [ -0.0001074300000000, -0.0000319900000000, 0.0002234300000000 ] - [ -0.0003731700000000, -0.0001824400000000, -0.0001588900000000 ] - [ 0.0001170300000000, -0.0000836600000000, -0.0000442300000000 ] - [ -0.0003320300000000, -0.0011347200000000, 0.0000758400000000 ] - [ 0.0000426400000000, -0.0003050000000000, -0.0000395900000000 ] - [ 0.0001235700000000, 0.0000413200000000, -0.0000301400000000 ] - [ -0.0003470100000000, -0.0001745900000000, -0.0002660800000000 ] - [ 0.0002404600000000, -0.0001884700000000, -0.0001125200000000 ] - [ 0.0002763900000000, 0.0002106200000000, -0.0001076400000000 ] - [ -0.0002821800000000, 0.0001726600000000, -0.0001610300000000 ] - [ 0.0000525800000000, -0.0000307000000000, 0.0000098200000000 ] - [ -0.0001188700000000, -0.0000252800000000, -0.0002573200000000 ] - [ -0.0005415100000000, 0.0001429500000000, -0.0002080700000000 ] - [ -0.0002567300000000, 0.0002278400000000, 0.0001643600000000 ] - [ 0.0001206600000000, -0.0000461400000000, 0.0002794500000000 ] - [ 0.0005285100000000, 0.0000504200000000, 0.0001385800000000 ] - [ 0.0000966800000000, 0.0002148700000000, -0.0003109600000000 ] - [ 0.0001596200000000, -0.0002521000000000, 0.0000208700000000 ] - [ -0.0001973700000000, 0.0004800600000000, 0.0002183000000000 ] - [ 0.0000300200000000, 0.0002673200000000, 0.0000199400000000 ] - [ -0.0000611800000000, -0.0000848400000000, 0.0003633500000000 ] - [ 0.0002820900000000, 0.0000015200000000, 0.0001807900000000 ]- atom: 56 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001416200000000, -0.0003220700000000, 0.0001291100000000 ] - [ 0.0000178100000000, -0.0003914700000000, 0.0000635600000000 ] - [ -0.0001005400000000, -0.0003731900000000, 0.0002726600000000 ] - [ -0.0001090600000000, 0.0004377200000000, -0.0002155400000000 ] - [ -0.0001318500000000, 0.0003218800000000, 0.0002025400000000 ] - [ 0.0000349700000000, -0.0000201700000000, -0.0002524600000000 ] - [ -0.0001254700000000, 0.0004799100000000, -0.0005735800000000 ] - [ -0.0001195400000000, 0.0003085100000000, 0.0000855000000000 ] - [ 0.0002514100000000, -0.0002821500000000, 0.0004051100000000 ] - [ 0.0000305800000000, -0.0002524400000000, -0.0000757600000000 ] - [ -0.0000707200000000, -0.0002436600000000, 0.0001108100000000 ] - [ -0.0000241400000000, 0.0000632700000000, -0.0000783400000000 ] - [ -0.0000850700000000, 0.0000826900000000, 0.0001216900000000 ] - [ 0.0000164600000000, 0.0041799700000000, 0.0006125100000000 ] - [ -0.0000259200000000, -0.0001810400000000, -0.0002020100000000 ] - [ -0.0000342400000000, 0.0000358200000000, 0.0001234200000000 ] - [ 0.0002174100000000, 0.0011296700000000, -0.0010390800000000 ] - [ 0.0000033500000000, 0.0000363900000000, 0.0000654900000000 ] - [ 0.0001422700000000, -0.0002424800000000, -0.0002674900000000 ] - [ -0.0006571800000000, 0.0017985400000000, -0.0019263200000000 ] - [ 0.0000562100000000, -0.0002095300000000, -0.0001874100000000 ] - [ -0.0001729500000000, 0.0001961400000000, 0.0000025700000000 ] - [ 0.0001272300000000, -0.0001511600000000, -0.0001484300000000 ] - [ 0.0000832100000000, -0.0005074300000000, 0.0001233800000000 ] - [ -0.0003976400000000, -0.0009476100000000, 0.0000147600000000 ] - [ -0.0090858900000000, 0.0151722400000000, 0.0072965600000000 ] - [ 0.0010202800000000, 0.0006440400000000, 0.0010811500000000 ] - [ 0.0003983600000000, -0.0001758000000000, -0.0000761500000000 ] - [ -0.0000693800000000, 0.0007419500000000, -0.0002813100000000 ] - [ -0.0004542700000000, 0.0010458200000000, -0.0000221600000000 ] - [ -0.0002811200000000, 0.0001874800000000, -0.0000268000000000 ] - [ 0.0030010000000000, -0.0009154100000000, -0.0014913300000000 ] - [ -0.0016197000000000, -0.0012037700000000, 0.0009452800000000 ] - [ -0.0002337300000000, -0.0004753100000000, -0.0004091100000000 ] - [ -0.0000184000000000, -0.0006805300000000, -0.0002884800000000 ] - [ 0.0003242500000000, -0.0003441500000000, 0.0003394700000000 ] - [ -0.0001371400000000, -0.0000263900000000, -0.0004914000000000 ] - [ -0.0004742900000000, 0.0005587000000000, -0.0001283400000000 ] - [ 0.0001627000000000, 0.0006677000000000, -0.0004984000000000 ] - [ 0.0003587100000000, 0.0000947500000000, 0.0000823400000000 ] - [ 0.0006991400000000, -0.0002561500000000, -0.0002533500000000 ] - [ 0.0001308800000000, 0.0000320700000000, -0.0006840100000000 ] - [ -0.0020796100000000, 0.0008396000000000, -0.0009845500000000 ] - [ 0.0001064800000000, 0.0004914500000000, -0.0002495000000000 ] - [ -0.0001632500000000, 0.0000220100000000, 0.0002721000000000 ] - [ -0.0000207200000000, 0.0001080100000000, 0.0003606200000000 ] - [ -0.0002285600000000, -0.0002866500000000, 0.0004252100000000 ] - [ -0.0014924500000000, -0.0022393700000000, 0.0001528900000000 ] - [ -0.0011530800000000, -0.0001662400000000, -0.0002689300000000 ] - [ 0.0000778400000000, 0.0002020600000000, -0.0001004700000000 ] - [ 0.0012295400000000, 0.0004962500000000, -0.0007425900000000 ] - [ -0.0002144300000000, -0.0000341300000000, -0.0000450200000000 ] - [ -0.0005548700000000, 0.0003414700000000, -0.0005223400000000 ] - [ 0.0000072800000000, -0.0004176200000000, 0.0002327300000000 ] - [ 0.0012851100000000, 0.0010750200000000, -0.0015390100000000 ] - [ 0.0126586900000000, -0.0261648600000000, -0.0071090500000000 ] - [ 0.0000210800000000, -0.0000025800000000, -0.0020615700000000 ] - [ 0.0002246900000000, -0.0003679900000000, -0.0001245800000000 ] - [ 0.0001448800000000, 0.0002740400000000, 0.0000283700000000 ] - [ -0.0002935000000000, 0.0001769700000000, -0.0002140900000000 ] - [ -0.0000308700000000, -0.0003787500000000, -0.0005046900000000 ] - [ -0.0001048500000000, -0.0001573300000000, -0.0001046000000000 ] - [ 0.0003079700000000, 0.0002816200000000, -0.0001372600000000 ] - [ -0.0048632700000000, 0.0018922000000000, 0.0071361500000000 ] - [ 0.0001835000000000, 0.0000148700000000, -0.0000291200000000 ] - [ 0.0004321400000000, 0.0001860100000000, 0.0000105800000000 ] - [ 0.0000854800000000, 0.0002479400000000, -0.0000519700000000 ] - [ 0.0013562600000000, 0.0009880900000000, 0.0014490700000000 ] - [ -0.0000492500000000, 0.0003710700000000, 0.0002048700000000 ] - [ 0.0000131500000000, 0.0002546200000000, 0.0000533100000000 ] - [ -0.0004180500000000, -0.0002319700000000, 0.0002831900000000 ] - [ 0.0002388900000000, -0.0000230800000000, 0.0002065400000000 ] - [ 0.0000402100000000, 0.0001894000000000, -0.0001813500000000 ] - [ -0.0000890100000000, 0.0000182700000000, -0.0001317200000000 ] - [ 0.0001872600000000, 0.0002069600000000, 0.0001700700000000 ] - [ 0.0000076800000000, 0.0004277000000000, 0.0003452500000000 ] - [ -0.0002113300000000, 0.0000820800000000, 0.0001356800000000 ] - [ -0.0001011100000000, 0.0003327500000000, 0.0003408800000000 ] - [ -0.0001786500000000, -0.0003943500000000, 0.0001559600000000 ] - [ 0.0004740200000000, -0.0000413700000000, 0.0000549100000000 ] - [ 0.0000831100000000, -0.0000981400000000, -0.0000520800000000 ] - [ 0.0000881200000000, -0.0001059000000000, 0.0000209300000000 ] - [ -0.0001495100000000, 0.0000666800000000, 0.0002517700000000 ] - [ -0.0003930100000000, -0.0002323200000000, -0.0000534200000000 ] - [ -0.0000931400000000, 0.0003116400000000, 0.0000643200000000 ] - [ 0.0001184300000000, -0.0003956300000000, 0.0003001200000000 ] - [ 0.0000401500000000, -0.0001010300000000, 0.0000895100000000 ] - [ 0.0001435600000000, 0.0001042500000000, -0.0000258700000000 ] - [ -0.0003105700000000, -0.0000892400000000, -0.0002553200000000 ] - [ 0.0002318400000000, -0.0001498500000000, -0.0001371100000000 ] - [ 0.0001148200000000, 0.0000084700000000, 0.0000626500000000 ] - [ -0.0002856700000000, 0.0002173300000000, -0.0003536700000000 ] - [ 0.0000600300000000, 0.0000432800000000, 0.0000078900000000 ] - [ -0.0001058100000000, -0.0000419800000000, -0.0002954400000000 ] - [ 0.0004292700000000, 0.0001812300000000, -0.0003510700000000 ] - [ -0.0002202300000000, 0.0003902600000000, 0.0002087200000000 ] - [ 0.0001392100000000, -0.0000307200000000, 0.0003014200000000 ] - [ 0.0004251900000000, 0.0000715600000000, 0.0000800200000000 ] - [ 0.0000968700000000, 0.0001330400000000, 0.0000571900000000 ] - [ 0.0001532900000000, -0.0000150100000000, 0.0000447400000000 ] - [ -0.0002193000000000, 0.0005265300000000, 0.0002015600000000 ] - [ 0.0000120100000000, 0.0003816200000000, -0.0000842200000000 ] - [ -0.0000288000000000, 0.0000480400000000, 0.0003581400000000 ] - [ 0.0003284900000000, 0.0001483600000000, 0.0001826500000000 ]- atom: 56 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000688500000000, -0.0000242000000000, 0.0001572600000000 ] - [ -0.0000841800000000, 0.0000678900000000, -0.0001859200000000 ] - [ 0.0000649800000000, 0.0000974600000000, -0.0000225400000000 ] - [ 0.0000406300000000, -0.0001166500000000, 0.0000884900000000 ] - [ -0.0000781300000000, 0.0000228900000000, 0.0000855000000000 ] - [ -0.0000448400000000, 0.0002119500000000, -0.0001458000000000 ] - [ 0.0001150000000000, -0.0006716100000000, 0.0001769800000000 ] - [ 0.0000805400000000, -0.0000304400000000, 0.0001659400000000 ] - [ -0.0004610900000000, -0.0000635300000000, -0.0001197800000000 ] - [ -0.0000961400000000, -0.0000689500000000, -0.0000470300000000 ] - [ 0.0000343500000000, -0.0000304500000000, 0.0001404000000000 ] - [ -0.0000418200000000, 0.0002585800000000, -0.0000448800000000 ] - [ -0.0001253500000000, 0.0002635900000000, 0.0001649800000000 ] - [ -0.0000039100000000, -0.0037975600000000, -0.0010034900000000 ] - [ 0.0000161200000000, -0.0000105800000000, -0.0001961300000000 ] - [ -0.0000018400000000, 0.0002388900000000, 0.0001276400000000 ] - [ -0.0000557700000000, -0.0008812200000000, 0.0006717100000000 ] - [ 0.0000665900000000, 0.0003093600000000, 0.0001828200000000 ] - [ 0.0000290200000000, -0.0000014400000000, -0.0000838800000000 ] - [ 0.0007085000000000, -0.0021132600000000, 0.0020990900000000 ] - [ 0.0001154700000000, 0.0004563200000000, -0.0001635200000000 ] - [ 0.0002427600000000, 0.0001488400000000, 0.0002482200000000 ] - [ 0.0000444700000000, -0.0000933700000000, -0.0002013800000000 ] - [ -0.0000134600000000, 0.0001618200000000, 0.0001259400000000 ] - [ -0.0004361500000000, -0.0004398500000000, -0.0001838400000000 ] - [ 0.0087395100000000, -0.0158950500000000, -0.0077774200000000 ] - [ -0.0011418800000000, -0.0008701100000000, -0.0018869700000000 ] - [ 0.0003611500000000, -0.0002297800000000, 0.0002276900000000 ] - [ -0.0000740700000000, -0.0005109800000000, -0.0005316500000000 ] - [ -0.0003804900000000, 0.0003412200000000, -0.0001443200000000 ] - [ -0.0002247600000000, 0.0004264800000000, -0.0002378600000000 ] - [ -0.0022380400000000, 0.0012991600000000, 0.0016431300000000 ] - [ 0.0007898400000000, -0.0001837200000000, -0.0011098900000000 ] - [ -0.0002720900000000, -0.0001382400000000, 0.0001458900000000 ] - [ -0.0001252800000000, 0.0004699800000000, -0.0005127900000000 ] - [ 0.0004356300000000, -0.0000604100000000, -0.0001885600000000 ] - [ -0.0000063400000000, 0.0002382800000000, -0.0003100900000000 ] - [ -0.0003598600000000, 0.0008291200000000, -0.0000391900000000 ] - [ -0.0006681100000000, -0.0000467500000000, 0.0002380600000000 ] - [ 0.0004017300000000, 0.0003106100000000, 0.0000694000000000 ] - [ -0.0005575000000000, 0.0002069000000000, -0.0000154700000000 ] - [ -0.0003356400000000, 0.0000499400000000, 0.0003673700000000 ] - [ 0.0025496200000000, -0.0009110300000000, 0.0013407700000000 ] - [ -0.0001053800000000, 0.0003931700000000, 0.0008972300000000 ] - [ -0.0001528500000000, 0.0000135900000000, 0.0002199000000000 ] - [ -0.0001423800000000, 0.0003532400000000, 0.0003438900000000 ] - [ -0.0001236800000000, -0.0005344800000000, -0.0000908500000000 ] - [ 0.0023565400000000, 0.0019248800000000, -0.0000953400000000 ] - [ 0.0013514600000000, -0.0002219700000000, 0.0001693900000000 ] - [ 0.0000617300000000, -0.0001511600000000, -0.0001722100000000 ] - [ -0.0015345200000000, -0.0005288400000000, 0.0012342800000000 ] - [ -0.0002185200000000, -0.0002328100000000, 0.0000757100000000 ] - [ 0.0006460800000000, -0.0002710600000000, 0.0005254200000000 ] - [ -0.0000072500000000, -0.0004673800000000, 0.0004157100000000 ] - [ -0.0013050200000000, -0.0016355600000000, 0.0016006500000000 ] - [ -0.0124411000000000, 0.0261694300000000, 0.0071769400000000 ] - [ -0.0006164700000000, -0.0003051500000000, 0.0015704500000000 ] - [ 0.0002379600000000, -0.0000634600000000, -0.0001064300000000 ] - [ 0.0001484800000000, 0.0000640000000000, 0.0000274300000000 ] - [ -0.0003055300000000, 0.0001424300000000, -0.0002777900000000 ] - [ 0.0001194400000000, 0.0002828800000000, 0.0005044600000000 ] - [ -0.0000999800000000, 0.0000724400000000, -0.0002138000000000 ] - [ 0.0001525500000000, 0.0001520300000000, -0.0000911600000000 ] - [ 0.0043983800000000, -0.0016134100000000, -0.0070367900000000 ] - [ 0.0001737200000000, -0.0000275400000000, -0.0000611100000000 ] - [ 0.0004228800000000, 0.0001166200000000, 0.0000359100000000 ] - [ 0.0001010000000000, 0.0001399300000000, -0.0000664900000000 ] - [ -0.0010572000000000, -0.0013287100000000, -0.0013814200000000 ] - [ -0.0003052600000000, 0.0004426300000000, 0.0001304700000000 ] - [ 0.0000029300000000, 0.0002683600000000, -0.0000260600000000 ] - [ 0.0002534500000000, -0.0002351900000000, 0.0004211700000000 ] - [ 0.0002322500000000, 0.0000885000000000, 0.0001445600000000 ] - [ 0.0000996400000000, -0.0002421500000000, -0.0000905700000000 ] - [ -0.0001129600000000, 0.0000659600000000, -0.0001844800000000 ] - [ 0.0002849200000000, -0.0002779000000000, 0.0001793500000000 ] - [ -0.0000073500000000, 0.0004566100000000, 0.0003028400000000 ] - [ -0.0001047900000000, -0.0000470400000000, 0.0003556000000000 ] - [ -0.0000622900000000, 0.0001325700000000, 0.0003618400000000 ] - [ -0.0001751900000000, -0.0004177900000000, 0.0001783200000000 ] - [ 0.0003807500000000, -0.0002623300000000, -0.0000085000000000 ] - [ 0.0001034400000000, -0.0002906300000000, -0.0000666400000000 ] - [ 0.0000509700000000, 0.0001578600000000, -0.0002932700000000 ] - [ -0.0001662700000000, -0.0001030300000000, 0.0002401900000000 ] - [ -0.0000411300000000, -0.0000439900000000, 0.0000818500000000 ] - [ 0.0001839200000000, -0.0002402500000000, -0.0000654200000000 ] - [ -0.0001236700000000, -0.0004944700000000, 0.0003457300000000 ] - [ -0.0000240600000000, -0.0004230800000000, -0.0000627300000000 ] - [ 0.0002142700000000, -0.0000925400000000, -0.0000646200000000 ] - [ -0.0002885900000000, -0.0002305300000000, -0.0002365200000000 ] - [ 0.0002310300000000, -0.0002823300000000, -0.0000932100000000 ] - [ 0.0001790200000000, 0.0003305400000000, -0.0000072500000000 ] - [ -0.0003132200000000, 0.0001013700000000, -0.0001390200000000 ] - [ 0.0000304400000000, -0.0001176000000000, -0.0000089200000000 ] - [ -0.0000961600000000, -0.0000424600000000, -0.0000206300000000 ] - [ 0.0000300900000000, 0.0002490600000000, 0.0001213100000000 ] - [ -0.0002124300000000, -0.0001244800000000, -0.0001787800000000 ] - [ 0.0002176600000000, 0.0000167500000000, -0.0003934100000000 ] - [ 0.0004307900000000, 0.0002294000000000, -0.0000329900000000 ] - [ 0.0000896400000000, 0.0002553300000000, -0.0001767300000000 ] - [ 0.0001399900000000, -0.0003232400000000, 0.0000113600000000 ] - [ -0.0001346100000000, 0.0002851300000000, 0.0001330300000000 ] - [ 0.0000036600000000, 0.0001413800000000, 0.0001118200000000 ] - [ -0.0001351800000000, -0.0005149400000000, 0.0003447700000000 ] - [ 0.0001436400000000, -0.0000786700000000, 0.0001666800000000 ]- atom: 56 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0001731300000000, -0.0002295200000000, 0.0001622500000000 ] - [ -0.0002343200000000, 0.0001268200000000, -0.0000528300000000 ] - [ 0.0001756300000000, 0.0002256700000000, 0.0001328900000000 ] - [ -0.0005905800000000, -0.0003533900000000, -0.0003497500000000 ] - [ -0.0000544400000000, 0.0000788900000000, -0.0000729400000000 ] - [ 0.0000512200000000, 0.0000582300000000, -0.0002186000000000 ] - [ -0.0000604200000000, -0.0002502400000000, -0.0009729000000000 ] - [ 0.0000632100000000, -0.0000003100000000, -0.0001373800000000 ] - [ 0.0001413600000000, -0.0001651100000000, 0.0005781500000000 ] - [ 0.0000186600000000, -0.0001699700000000, -0.0001347200000000 ] - [ -0.0000591700000000, -0.0001566500000000, 0.0000862400000000 ] - [ -0.0000328300000000, 0.0001842800000000, -0.0000334100000000 ] - [ -0.0001033200000000, 0.0001670500000000, 0.0001004300000000 ] - [ -0.0001602300000000, 0.0011853400000000, 0.0003756100000000 ] - [ -0.0000047700000000, -0.0001036700000000, -0.0002141000000000 ] - [ -0.0000220000000000, 0.0001646200000000, 0.0001679000000000 ] - [ 0.0016684400000000, -0.0007076600000000, 0.0028301300000000 ] - [ -0.0000553800000000, 0.0002096100000000, 0.0000039300000000 ] - [ 0.0001801200000000, -0.0000536100000000, -0.0003347500000000 ] - [ 0.0099251500000000, -0.0028172700000000, 0.0192231600000000 ] - [ 0.0000427200000000, 0.0001078500000000, -0.0001727400000000 ] - [ 0.0000549100000000, 0.0002591400000000, -0.0000057000000000 ] - [ -0.0000409400000000, -0.0000553000000000, -0.0002218000000000 ] - [ 0.0000833800000000, -0.0001969800000000, 0.0001199000000000 ] - [ -0.0003715500000000, -0.0006003200000000, -0.0000642600000000 ] - [ -0.0644903300000000, 0.0099537400000000, 0.0655697100000000 ] - [ 0.0009922900000000, 0.0006988400000000, 0.0002093100000000 ] - [ 0.0004540300000000, -0.0001508000000000, 0.0000418400000000 ] - [ -0.0000312300000000, 0.0003194400000000, -0.0007317100000000 ] - [ -0.0004494500000000, 0.0006043500000000, -0.0002486700000000 ] - [ -0.0003014900000000, 0.0003107700000000, -0.0001685500000000 ] - [ -0.0046773700000000, 0.0034853700000000, 0.0041983400000000 ] - [ -0.0008844700000000, -0.0009311900000000, 0.0014468300000000 ] - [ -0.0002501700000000, -0.0003569500000000, -0.0003001300000000 ] - [ -0.0000011500000000, -0.0003332200000000, -0.0004301600000000 ] - [ 0.0003328500000000, -0.0001086700000000, 0.0000726400000000 ] - [ -0.0001198600000000, 0.0001060700000000, -0.0004067700000000 ] - [ -0.0005207000000000, 0.0006572100000000, -0.0001504400000000 ] - [ -0.0001761500000000, 0.0011370800000000, -0.0001422100000000 ] - [ 0.0003610100000000, 0.0002059400000000, 0.0001219100000000 ] - [ 0.0003311900000000, -0.0001052200000000, -0.0008709700000000 ] - [ -0.0000764900000000, -0.0000418300000000, -0.0009652300000000 ] - [ -0.0006792800000000, -0.0013153300000000, -0.0004653900000000 ] - [ -0.0000005400000000, 0.0004916400000000, 0.0000933800000000 ] - [ -0.0001668600000000, 0.0000130300000000, 0.0002758300000000 ] - [ -0.0002799800000000, 0.0003112000000000, 0.0005320600000000 ] - [ -0.0001661000000000, -0.0005391600000000, 0.0007315600000000 ] - [ 0.0002114100000000, -0.0003293300000000, -0.0029947400000000 ] - [ -0.0032849200000000, -0.0000516500000000, -0.0010090400000000 ] - [ 0.0000368000000000, 0.0001815800000000, -0.0000496000000000 ] - [ -0.0023425300000000, -0.0014932700000000, 0.0015792800000000 ] - [ -0.0002063700000000, -0.0001295300000000, 0.0000275300000000 ] - [ -0.0004371800000000, 0.0003763700000000, -0.0004240200000000 ] - [ -0.0000112600000000, -0.0004342900000000, 0.0004381100000000 ] - [ -0.0000793200000000, -0.0023127300000000, -0.0004726300000000 ] - [ 0.0678152000000000, -0.0111902200000000, -0.0947237000000000 ] - [ -0.0006605800000000, -0.0016783700000000, 0.0019522400000000 ] - [ 0.0002694500000000, -0.0002464100000000, 0.0000648900000000 ] - [ 0.0001683500000000, 0.0002012200000000, 0.0000317000000000 ] - [ -0.0002828300000000, 0.0001609100000000, -0.0002027600000000 ] - [ -0.0002208500000000, -0.0004440300000000, 0.0008341800000000 ] - [ -0.0000890700000000, 0.0000962600000000, -0.0001860200000000 ] - [ 0.0001726400000000, 0.0003358600000000, -0.0001933900000000 ] - [ -0.0035772900000000, 0.0042467400000000, 0.0044161600000000 ] - [ 0.0001676200000000, -0.0000201500000000, -0.0000212300000000 ] - [ 0.0004286000000000, 0.0001471700000000, 0.0000433500000000 ] - [ 0.0000850900000000, 0.0001826900000000, -0.0000132100000000 ] - [ 0.0007883400000000, 0.0010206200000000, 0.0001334100000000 ] - [ -0.0002079100000000, 0.0002433900000000, -0.0001005300000000 ] - [ -0.0000276800000000, 0.0002467500000000, 0.0000467800000000 ] - [ -0.0001110500000000, -0.0001710100000000, 0.0001336700000000 ] - [ 0.0002433600000000, -0.0000541500000000, 0.0003839900000000 ] - [ 0.0001243500000000, -0.0001420600000000, -0.0001709600000000 ] - [ -0.0000808700000000, 0.0000268800000000, -0.0001477000000000 ] - [ 0.0002121300000000, 0.0000682900000000, 0.0002038500000000 ] - [ 0.0000113600000000, 0.0004459000000000, 0.0002909800000000 ] - [ -0.0001449400000000, -0.0000496100000000, 0.0003393800000000 ] - [ -0.0000457000000000, 0.0002294200000000, 0.0003600700000000 ] - [ -0.0002095100000000, -0.0003823300000000, 0.0001672300000000 ] - [ 0.0004668600000000, -0.0001138100000000, 0.0000237500000000 ] - [ 0.0000941400000000, -0.0002346700000000, -0.0000954300000000 ] - [ 0.0000599700000000, 0.0001386600000000, -0.0000859200000000 ] - [ -0.0001210300000000, -0.0000228800000000, 0.0002419600000000 ] - [ 0.0000054100000000, -0.0005375600000000, -0.0004627200000000 ] - [ 0.0000142900000000, -0.0000745800000000, -0.0000163300000000 ] - [ 0.0002670100000000, 0.0002482100000000, -0.0000380800000000 ] - [ 0.0000163000000000, -0.0002038000000000, 0.0000559100000000 ] - [ 0.0001454500000000, 0.0000368100000000, -0.0000453400000000 ] - [ -0.0003254500000000, -0.0001654700000000, -0.0002471300000000 ] - [ 0.0002554800000000, -0.0001760900000000, -0.0000953300000000 ] - [ 0.0002534900000000, 0.0001693600000000, -0.0000290300000000 ] - [ -0.0003399700000000, 0.0001177500000000, -0.0001375000000000 ] - [ 0.0000577100000000, -0.0000669100000000, 0.0000126400000000 ] - [ -0.0001112600000000, -0.0000183300000000, -0.0002369300000000 ] - [ 0.0003552400000000, 0.0002202000000000, -0.0005353500000000 ] - [ -0.0002463700000000, 0.0002330600000000, 0.0001346000000000 ] - [ -0.0001453000000000, -0.0003448900000000, 0.0005267200000000 ] - [ 0.0006170500000000, -0.0000786900000000, 0.0001523500000000 ] - [ 0.0001437600000000, 0.0001520100000000, 0.0000575300000000 ] - [ 0.0001536100000000, -0.0002715200000000, 0.0000208500000000 ] - [ -0.0001900500000000, 0.0004609200000000, 0.0002178900000000 ] - [ 0.0000128900000000, 0.0001564100000000, 0.0000682700000000 ] - [ -0.0000447300000000, -0.0000708000000000, 0.0003729900000000 ] - [ 0.0002491800000000, 0.0000458400000000, 0.0001944800000000 ]- atom: 56 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0000383000000000, -0.0001178100000000, 0.0001234900000000 ] - [ 0.0001665600000000, -0.0004473700000000, -0.0000683900000000 ] - [ -0.0002103900000000, -0.0004964500000000, 0.0001199800000000 ] - [ 0.0005290600000000, 0.0006788500000000, 0.0002275100000000 ] - [ -0.0001542500000000, 0.0002678900000000, 0.0003609300000000 ] - [ -0.0000601200000000, 0.0001331600000000, -0.0001807300000000 ] - [ 0.0000495000000000, 0.0000588200000000, 0.0005715300000000 ] - [ -0.0001044200000000, 0.0002760700000000, 0.0003891900000000 ] - [ -0.0003484500000000, -0.0001816000000000, -0.0002901800000000 ] - [ -0.0000830500000000, -0.0001513500000000, 0.0000131900000000 ] - [ 0.0000217900000000, -0.0001162700000000, 0.0001657500000000 ] - [ -0.0000334100000000, 0.0001369100000000, -0.0000901600000000 ] - [ -0.0001074900000000, 0.0001794700000000, 0.0001862100000000 ] - [ 0.0001490600000000, -0.0010064900000000, -0.0007888100000000 ] - [ -0.0000047200000000, -0.0000881200000000, -0.0001837900000000 ] - [ -0.0000138100000000, 0.0001096600000000, 0.0000831400000000 ] - [ -0.0014796100000000, 0.0009527400000000, -0.0031757000000000 ] - [ 0.0001274600000000, 0.0001349300000000, 0.0002475400000000 ] - [ -0.0000112700000000, -0.0001901100000000, -0.0000151800000000 ] - [ -0.0095097600000000, 0.0023853000000000, -0.0187497000000000 ] - [ 0.0001281000000000, 0.0001375300000000, -0.0001788000000000 ] - [ 0.0000091100000000, 0.0000865100000000, 0.0002527300000000 ] - [ 0.0002164900000000, -0.0001894000000000, -0.0001305500000000 ] - [ -0.0000127300000000, -0.0001493600000000, 0.0001292400000000 ] - [ -0.0004634000000000, -0.0007848700000000, -0.0001023000000000 ] - [ 0.0610147100000000, -0.0098831600000000, -0.0637886600000000 ] - [ -0.0011115200000000, -0.0009081700000000, -0.0009863800000000 ] - [ 0.0003072700000000, -0.0002527300000000, 0.0001111500000000 ] - [ -0.0001089800000000, -0.0001169800000000, -0.0000711100000000 ] - [ -0.0003835000000000, 0.0007791600000000, 0.0000823000000000 ] - [ -0.0002052800000000, 0.0003020400000000, -0.0000959100000000 ] - [ 0.0053028500000000, -0.0030679100000000, -0.0039437500000000 ] - [ 0.0000804600000000, -0.0004554800000000, -0.0016220400000000 ] - [ -0.0002554600000000, -0.0002564800000000, 0.0000314700000000 ] - [ -0.0001399700000000, 0.0001186300000000, -0.0003743700000000 ] - [ 0.0004260700000000, -0.0002978500000000, 0.0000762300000000 ] - [ -0.0000241100000000, 0.0001081400000000, -0.0003963400000000 ] - [ -0.0003127700000000, 0.0007283900000000, -0.0000161800000000 ] - [ -0.0003233300000000, -0.0005285900000000, -0.0001315000000000 ] - [ 0.0004001100000000, 0.0001992600000000, 0.0000343100000000 ] - [ -0.0001961200000000, 0.0000609300000000, 0.0006043600000000 ] - [ -0.0001254800000000, 0.0001320900000000, 0.0006701700000000 ] - [ 0.0011171100000000, 0.0012755800000000, 0.0007884800000000 ] - [ 0.0000005900000000, 0.0003907300000000, 0.0005650400000000 ] - [ -0.0001487000000000, 0.0000229900000000, 0.0002180600000000 ] - [ 0.0001188600000000, 0.0001557300000000, 0.0001687300000000 ] - [ -0.0001894800000000, -0.0002745000000000, -0.0004049700000000 ] - [ 0.0006316400000000, 0.0000193500000000, 0.0030411100000000 ] - [ 0.0034582400000000, -0.0003264500000000, 0.0009122800000000 ] - [ 0.0001046000000000, -0.0001332500000000, -0.0002227700000000 ] - [ 0.0019926800000000, 0.0014220100000000, -0.0010420000000000 ] - [ -0.0002262700000000, -0.0001385700000000, 0.0000027200000000 ] - [ 0.0005215100000000, -0.0003032500000000, 0.0004187700000000 ] - [ 0.0000117700000000, -0.0004476000000000, 0.0002080500000000 ] - [ 0.0001018300000000, 0.0017714900000000, 0.0004885300000000 ] - [ -0.0645360000000000, 0.0105550600000000, 0.0921317500000000 ] - [ 0.0000529700000000, 0.0013397300000000, -0.0024078300000000 ] - [ 0.0001930800000000, -0.0001835100000000, -0.0002958200000000 ] - [ 0.0001232600000000, 0.0001348900000000, 0.0000234800000000 ] - [ -0.0003172300000000, 0.0001587100000000, -0.0002878400000000 ] - [ 0.0003175800000000, 0.0003870900000000, -0.0008387300000000 ] - [ -0.0001153500000000, -0.0001836300000000, -0.0001304800000000 ] - [ 0.0002914200000000, 0.0000963300000000, -0.0000384300000000 ] - [ 0.0030537700000000, -0.0039086100000000, -0.0043119400000000 ] - [ 0.0001901500000000, 0.0000075600000000, -0.0000712300000000 ] - [ 0.0004265100000000, 0.0001548300000000, 0.0000009300000000 ] - [ 0.0001013300000000, 0.0002075900000000, -0.0001078100000000 ] - [ -0.0005232200000000, -0.0013625600000000, -0.0000904200000000 ] - [ -0.0001496500000000, 0.0005750300000000, 0.0004327100000000 ] - [ 0.0000427500000000, 0.0002786700000000, -0.0000197900000000 ] - [ -0.0000576900000000, -0.0003005900000000, 0.0005643300000000 ] - [ 0.0002269600000000, 0.0001267600000000, -0.0000364400000000 ] - [ 0.0000163200000000, 0.0000917300000000, -0.0001004500000000 ] - [ -0.0001208300000000, 0.0000597800000000, -0.0001669300000000 ] - [ 0.0002593400000000, -0.0001390400000000, 0.0001445900000000 ] - [ -0.0000111000000000, 0.0004365900000000, 0.0003555700000000 ] - [ -0.0001717800000000, 0.0000867600000000, 0.0001562800000000 ] - [ -0.0001175900000000, 0.0002378000000000, 0.0003417800000000 ] - [ -0.0001445700000000, -0.0004319800000000, 0.0001677900000000 ] - [ 0.0003889400000000, -0.0001878300000000, 0.0000212700000000 ] - [ 0.0000923300000000, -0.0001557600000000, -0.0000247300000000 ] - [ 0.0000779200000000, -0.0000896400000000, -0.0001887400000000 ] - [ -0.0001938000000000, -0.0000139700000000, 0.0002516500000000 ] - [ -0.0004421700000000, 0.0002696000000000, 0.0005128700000000 ] - [ 0.0000717100000000, 0.0001481700000000, 0.0000189400000000 ] - [ -0.0002716500000000, -0.0011409100000000, 0.0006798800000000 ] - [ 0.0000000100000000, -0.0003230200000000, -0.0000305000000000 ] - [ 0.0002112500000000, -0.0000236000000000, -0.0000466000000000 ] - [ -0.0002748800000000, -0.0001547300000000, -0.0002436500000000 ] - [ 0.0002071900000000, -0.0002547100000000, -0.0001353800000000 ] - [ 0.0000380800000000, 0.0001664000000000, 0.0000849500000000 ] - [ -0.0002589100000000, 0.0002029700000000, -0.0003507700000000 ] - [ 0.0000328200000000, -0.0000073600000000, -0.0000132900000000 ] - [ -0.0000904000000000, -0.0000688500000000, -0.0000777200000000 ] - [ 0.0000988300000000, 0.0002079200000000, 0.0003038000000000 ] - [ -0.0001863300000000, 0.0000361200000000, -0.0001020200000000 ] - [ 0.0005085600000000, 0.0003379700000000, -0.0006217900000000 ] - [ 0.0002324100000000, 0.0003850200000000, -0.0001093100000000 ] - [ 0.0000430600000000, 0.0002392000000000, -0.0001806900000000 ] - [ 0.0001384700000000, -0.0000653100000000, 0.0000348000000000 ] - [ -0.0001640100000000, 0.0003532600000000, 0.0001175400000000 ] - [ 0.0000028700000000, 0.0003703600000000, -0.0000404800000000 ] - [ -0.0001175300000000, -0.0003949700000000, 0.0003288700000000 ] - [ 0.0002234900000000, 0.0000244600000000, 0.0001541100000000 ]- atom: 57 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0000077100000000, -0.0001081400000000, 0.0001444700000000 ] - [ 0.0007067600000000, -0.0006591000000000, 0.0000114600000000 ] - [ -0.0004165300000000, -0.0005530800000000, 0.0003012700000000 ] - [ -0.0001343900000000, 0.0002307800000000, -0.0006600000000000 ] - [ -0.0003121200000000, 0.0001235300000000, 0.0001119400000000 ] - [ -0.0000888700000000, 0.0001004900000000, -0.0001824600000000 ] - [ 0.0021393600000000, -0.0019666500000000, -0.0015837600000000 ] - [ -0.0000864300000000, 0.0000424800000000, 0.0002664600000000 ] - [ -0.0002873100000000, 0.0001346700000000, 0.0001396800000000 ] - [ -0.0001126800000000, -0.0002018800000000, -0.0001104100000000 ] - [ 0.0000379500000000, -0.0002440100000000, 0.0001347000000000 ] - [ -0.0000146400000000, 0.0001421500000000, -0.0000643200000000 ] - [ -0.0000871300000000, 0.0001679300000000, 0.0001658700000000 ] - [ 0.0001449100000000, 0.0000751000000000, -0.0001538100000000 ] - [ -0.0000203700000000, -0.0000956900000000, -0.0002011800000000 ] - [ -0.0000347200000000, 0.0001166900000000, 0.0000962700000000 ] - [ -0.0031928800000000, 0.0009752400000000, -0.0021693300000000 ] - [ 0.0000182300000000, 0.0001699600000000, 0.0000574400000000 ] - [ 0.0002220300000000, -0.0002935300000000, -0.0001383000000000 ] - [ 0.0055677400000000, 0.0035349600000000, -0.0078653700000000 ] - [ 0.0001650700000000, 0.0000541000000000, -0.0001824600000000 ] - [ 0.0002080500000000, 0.0000967500000000, 0.0000710900000000 ] - [ -0.0001120300000000, -0.0000539500000000, -0.0003015300000000 ] - [ -0.0000356700000000, -0.0002377100000000, 0.0001307700000000 ] - [ -0.0004359000000000, -0.0008805900000000, -0.0000086700000000 ] - [ 0.0050953000000000, 0.0013041600000000, 0.0004715500000000 ] - [ -0.0031837000000000, 0.0003061000000000, -0.0001581600000000 ] - [ 0.0001843700000000, 0.0000884200000000, -0.0001076600000000 ] - [ -0.0004888600000000, 0.0000120400000000, -0.0002999200000000 ] - [ -0.0004574100000000, 0.0005813200000000, -0.0004201800000000 ] - [ -0.0001541300000000, 0.0003081700000000, -0.0001065500000000 ] - [ 0.0594835600000000, 0.0054000900000000, 0.0366720800000000 ] - [ -0.0033482200000000, 0.0001564700000000, 0.0002726600000000 ] - [ -0.0002612200000000, -0.0002653900000000, 0.0000425400000000 ] - [ -0.0000865900000000, -0.0001047300000000, -0.0004235400000000 ] - [ 0.0004191100000000, -0.0002018000000000, 0.0001022300000000 ] - [ -0.0000449000000000, 0.0000562000000000, -0.0004301300000000 ] - [ -0.0003834000000000, 0.0006726000000000, -0.0000642500000000 ] - [ -0.0002783700000000, 0.0002771200000000, -0.0001605600000000 ] - [ 0.0003337000000000, 0.0000975900000000, -0.0001481000000000 ] - [ 0.0008514700000000, -0.0001119000000000, -0.0000340400000000 ] - [ 0.0002060900000000, 0.0000697300000000, -0.0001985100000000 ] - [ 0.0031967100000000, -0.0022271600000000, -0.0025196900000000 ] - [ -0.0002958500000000, 0.0004282600000000, -0.0002019500000000 ] - [ -0.0001707300000000, 0.0000327500000000, 0.0002393900000000 ] - [ 0.0000743200000000, 0.0003649400000000, 0.0003161200000000 ] - [ -0.0001947100000000, -0.0003601400000000, 0.0000984700000000 ] - [ 0.0012937700000000, -0.0013138100000000, 0.0014657800000000 ] - [ -0.0001924500000000, -0.0002900800000000, 0.0000027500000000 ] - [ 0.0000395000000000, 0.0000366600000000, -0.0001353100000000 ] - [ 0.0114478400000000, -0.0017956600000000, 0.0039642300000000 ] - [ -0.0002164000000000, -0.0001780800000000, 0.0000338600000000 ] - [ 0.0005956100000000, -0.0000228400000000, -0.0000874900000000 ] - [ 0.0000075200000000, -0.0004161500000000, 0.0001727100000000 ] - [ 0.0003904800000000, 0.0023362900000000, 0.0047135100000000 ] - [ -0.0019946100000000, 0.0003168300000000, -0.0011678100000000 ] - [ -0.0893541600000000, -0.0081341600000000, -0.0331916600000000 ] - [ 0.0003732400000000, -0.0002122500000000, 0.0002023700000000 ] - [ 0.0001202800000000, 0.0001764800000000, 0.0000529100000000 ] - [ -0.0001429500000000, 0.0000573600000000, -0.0000559000000000 ] - [ 0.0001083700000000, 0.0000351500000000, -0.0001195300000000 ] - [ 0.0003810600000000, -0.0009529500000000, -0.0002997600000000 ] - [ 0.0000733600000000, -0.0000609700000000, -0.0002483500000000 ] - [ -0.0007454200000000, -0.0012338600000000, 0.0003874000000000 ] - [ 0.0001962100000000, -0.0000131500000000, -0.0000224600000000 ] - [ 0.0003984200000000, 0.0001396800000000, 0.0001009600000000 ] - [ 0.0001105500000000, 0.0002359900000000, -0.0000624600000000 ] - [ 0.0033008100000000, 0.0012137500000000, -0.0005733600000000 ] - [ 0.0062284100000000, 0.0009024100000000, 0.0018848100000000 ] - [ -0.0000680400000000, 0.0001639600000000, -0.0000291400000000 ] - [ 0.0006626700000000, 0.0006018000000000, 0.0004062300000000 ] - [ 0.0002819400000000, 0.0001163600000000, -0.0000641400000000 ] - [ 0.0000351400000000, 0.0001316900000000, -0.0001177300000000 ] - [ -0.0001038900000000, 0.0000343500000000, -0.0001530400000000 ] - [ 0.0002604600000000, -0.0000723600000000, 0.0001505500000000 ] - [ 0.0000078700000000, 0.0004316800000000, 0.0003477700000000 ] - [ -0.0001580200000000, 0.0000135800000000, 0.0002270200000000 ] - [ -0.0000543200000000, 0.0003335400000000, 0.0003781600000000 ] - [ -0.0001464300000000, -0.0004030600000000, 0.0002128400000000 ] - [ 0.0003947700000000, -0.0001525800000000, 0.0000133300000000 ] - [ 0.0000902300000000, -0.0001180100000000, -0.0000054900000000 ] - [ 0.0002062700000000, -0.0000204300000000, 0.0001986100000000 ] - [ -0.0002080300000000, 0.0000309900000000, 0.0002696200000000 ] - [ -0.0002395500000000, -0.0001364400000000, -0.0000163500000000 ] - [ 0.0000300700000000, 0.0002233700000000, 0.0000038800000000 ] - [ 0.0003253400000000, -0.0004352900000000, 0.0002442100000000 ] - [ -0.0000090600000000, -0.0001517100000000, 0.0001055000000000 ] - [ 0.0002257600000000, -0.0000039100000000, -0.0000572300000000 ] - [ -0.0002530200000000, -0.0001211200000000, -0.0002297100000000 ] - [ 0.0002224900000000, -0.0002054100000000, -0.0001268800000000 ] - [ 0.0000398900000000, 0.0001761600000000, 0.0000559400000000 ] - [ -0.0003180000000000, 0.0001595600000000, -0.0002545200000000 ] - [ 0.0000384500000000, -0.0000023900000000, -0.0000008600000000 ] - [ -0.0000862100000000, -0.0000433400000000, -0.0001172000000000 ] - [ 0.0012883900000000, 0.0002023300000000, -0.0003091900000000 ] - [ -0.0002021900000000, 0.0001019300000000, -0.0000405600000000 ] - [ 0.0001602400000000, -0.0000213100000000, -0.0000959500000000 ] - [ 0.0004174500000000, 0.0001442300000000, 0.0000273800000000 ] - [ 0.0003492000000000, 0.0002005000000000, 0.0002853900000000 ] - [ 0.0001288500000000, -0.0000231800000000, 0.0000423000000000 ] - [ -0.0001901400000000, 0.0003804100000000, 0.0001326200000000 ] - [ 0.0000031600000000, 0.0002629900000000, 0.0000046600000000 ] - [ -0.0000899100000000, -0.0002826400000000, 0.0003377800000000 ] - [ 0.0002115200000000, 0.0001017900000000, 0.0002053400000000 ]- atom: 57 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0002027800000000, -0.0002384300000000, 0.0001416800000000 ] - [ -0.0007706100000000, 0.0003436600000000, -0.0001330700000000 ] - [ 0.0003781900000000, 0.0002827800000000, -0.0000483200000000 ] - [ 0.0000673700000000, 0.0000913100000000, 0.0005371100000000 ] - [ 0.0001012600000000, 0.0002210600000000, 0.0001717600000000 ] - [ 0.0000786800000000, 0.0000911800000000, -0.0002157300000000 ] - [ -0.0021662200000000, 0.0018157600000000, 0.0012183000000000 ] - [ 0.0000506200000000, 0.0002310200000000, -0.0000139200000000 ] - [ 0.0000748800000000, -0.0004830500000000, 0.0001454600000000 ] - [ 0.0000458500000000, -0.0001195400000000, -0.0000127200000000 ] - [ -0.0000739700000000, -0.0000312500000000, 0.0001169400000000 ] - [ -0.0000513600000000, 0.0001785600000000, -0.0000586300000000 ] - [ -0.0001237100000000, 0.0001781700000000, 0.0001206000000000 ] - [ -0.0001534400000000, 0.0001171600000000, -0.0002435800000000 ] - [ 0.0000104000000000, -0.0000962600000000, -0.0001971600000000 ] - [ -0.0000018500000000, 0.0001572600000000, 0.0001549500000000 ] - [ 0.0033930900000000, -0.0007327400000000, 0.0018391800000000 ] - [ 0.0000516100000000, 0.0001760400000000, 0.0001919600000000 ] - [ -0.0000505200000000, 0.0000468600000000, -0.0002111200000000 ] - [ -0.0052308300000000, -0.0037018800000000, 0.0076930300000000 ] - [ 0.0000068000000000, 0.0001911300000000, -0.0001685300000000 ] - [ -0.0001360900000000, 0.0002477800000000, 0.0001779800000000 ] - [ 0.0002808100000000, -0.0001928300000000, -0.0000503800000000 ] - [ 0.0001046400000000, -0.0001094100000000, 0.0001185100000000 ] - [ -0.0003975200000000, -0.0005054500000000, -0.0001566000000000 ] - [ -0.0056664800000000, -0.0019416600000000, -0.0007721400000000 ] - [ 0.0030335100000000, -0.0005169900000000, -0.0006383100000000 ] - [ 0.0005737300000000, -0.0004934600000000, 0.0002605600000000 ] - [ 0.0003397800000000, 0.0002009600000000, -0.0005022500000000 ] - [ -0.0003747300000000, 0.0008001800000000, 0.0002533200000000 ] - [ -0.0003497000000000, 0.0003042000000000, -0.0001570500000000 ] - [ -0.0611591600000000, -0.0054123300000000, -0.0385672200000000 ] - [ 0.0025056500000000, -0.0015352200000000, -0.0004355500000000 ] - [ -0.0002443800000000, -0.0003467200000000, -0.0003068400000000 ] - [ -0.0000578200000000, -0.0001098800000000, -0.0003794000000000 ] - [ 0.0003406300000000, -0.0002015600000000, 0.0000510800000000 ] - [ -0.0000988500000000, 0.0001573200000000, -0.0003723400000000 ] - [ -0.0004511900000000, 0.0007112300000000, -0.0001028100000000 ] - [ -0.0002296900000000, 0.0003371400000000, -0.0001055100000000 ] - [ 0.0004262100000000, 0.0003050700000000, 0.0002991900000000 ] - [ -0.0007163000000000, 0.0000577600000000, -0.0002355100000000 ] - [ -0.0004058000000000, 0.0000171200000000, -0.0001162900000000 ] - [ -0.0027114400000000, 0.0021240700000000, 0.0028460700000000 ] - [ 0.0002915800000000, 0.0004511300000000, 0.0008402900000000 ] - [ -0.0001455500000000, 0.0000039700000000, 0.0002547200000000 ] - [ -0.0002355200000000, 0.0001017400000000, 0.0003863300000000 ] - [ -0.0001592000000000, -0.0004539400000000, 0.0002373100000000 ] - [ -0.0004579700000000, 0.0010328000000000, -0.0014520000000000 ] - [ 0.0003622800000000, -0.0001078200000000, -0.0001029400000000 ] - [ 0.0001007900000000, 0.0000133500000000, -0.0001357600000000 ] - [ -0.0120355000000000, 0.0017720600000000, -0.0035686000000000 ] - [ -0.0002170600000000, -0.0000900300000000, -0.0000038200000000 ] - [ -0.0005045500000000, 0.0000955000000000, 0.0000882300000000 ] - [ -0.0000071100000000, -0.0004648000000000, 0.0004734000000000 ] - [ -0.0003822100000000, -0.0028570600000000, -0.0047173200000000 ] - [ 0.0023634300000000, -0.0003096300000000, 0.0010885900000000 ] - [ 0.0912367300000000, 0.0080285300000000, 0.0352596000000000 ] - [ 0.0000883400000000, -0.0002158200000000, -0.0004283100000000 ] - [ 0.0001708800000000, 0.0001594500000000, 0.0000025700000000 ] - [ -0.0004578700000000, 0.0002635200000000, -0.0004337300000000 ] - [ -0.0000149900000000, -0.0001077800000000, 0.0001189200000000 ] - [ -0.0005620900000000, 0.0008531800000000, -0.0000198500000000 ] - [ 0.0003873900000000, 0.0004923300000000, 0.0000164500000000 ] - [ 0.0003256500000000, 0.0014964800000000, -0.0003458600000000 ] - [ 0.0001599800000000, -0.0000002100000000, -0.0000704500000000 ] - [ 0.0004557600000000, 0.0001624700000000, -0.0000580400000000 ] - [ 0.0000757700000000, 0.0001554700000000, -0.0000577400000000 ] - [ -0.0029946900000000, -0.0015243800000000, 0.0006232300000000 ] - [ -0.0065692200000000, -0.0000947700000000, -0.0014926700000000 ] - [ 0.0000842200000000, 0.0003628200000000, 0.0000537800000000 ] - [ -0.0008250800000000, -0.0010697100000000, 0.0002799300000000 ] - [ 0.0001899400000000, -0.0000450500000000, 0.0004114800000000 ] - [ 0.0001050900000000, -0.0001810100000000, -0.0001531800000000 ] - [ -0.0000983600000000, 0.0000527600000000, -0.0001615000000000 ] - [ 0.0002108900000000, 0.0000007400000000, 0.0001976300000000 ] - [ -0.0000071300000000, 0.0004500100000000, 0.0002990300000000 ] - [ -0.0001567900000000, 0.0000229300000000, 0.0002673300000000 ] - [ -0.0001079900000000, 0.0001359400000000, 0.0003238200000000 ] - [ -0.0002076800000000, -0.0004113600000000, 0.0001239500000000 ] - [ 0.0004603200000000, -0.0001489500000000, 0.0000311200000000 ] - [ 0.0000957500000000, -0.0002730300000000, -0.0001147200000000 ] - [ -0.0000653300000000, 0.0000720100000000, -0.0004683700000000 ] - [ -0.0001077000000000, -0.0000672100000000, 0.0002248700000000 ] - [ -0.0001924700000000, -0.0001335800000000, 0.0000466100000000 ] - [ 0.0000610900000000, -0.0001467100000000, -0.0000037500000000 ] - [ -0.0003254500000000, -0.0004416600000000, 0.0004035000000000 ] - [ 0.0000245200000000, -0.0003722500000000, -0.0000776200000000 ] - [ 0.0001310500000000, 0.0000174200000000, -0.0000354000000000 ] - [ -0.0003471200000000, -0.0001986200000000, -0.0002601900000000 ] - [ 0.0002401600000000, -0.0002244800000000, -0.0001039700000000 ] - [ 0.0002498200000000, 0.0001590500000000, -0.0000010700000000 ] - [ -0.0002823000000000, 0.0001604100000000, -0.0002354800000000 ] - [ 0.0000515800000000, -0.0000720200000000, -0.0000001600000000 ] - [ -0.0001155200000000, -0.0000440200000000, -0.0001971900000000 ] - [ -0.0008191800000000, 0.0002325700000000, 0.0000758900000000 ] - [ -0.0002308100000000, 0.0001665500000000, 0.0000712600000000 ] - [ 0.0001964900000000, 0.0000061000000000, 0.0000030300000000 ] - [ 0.0004386300000000, 0.0001570400000000, 0.0000165000000000 ] - [ -0.0001616700000000, 0.0001916500000000, -0.0004030000000000 ] - [ 0.0001623000000000, -0.0003112100000000, 0.0000133600000000 ] - [ -0.0001641700000000, 0.0004339800000000, 0.0002033200000000 ] - [ 0.0000120200000000, 0.0002620300000000, 0.0000225300000000 ] - [ -0.0000731100000000, -0.0001859500000000, 0.0003640700000000 ] - [ 0.0002596900000000, -0.0000290600000000, 0.0001433600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000367600000000, -0.0002826100000000, 0.0001032700000000 ] - [ -0.0004744100000000, 0.0053247000000000, 0.0008859700000000 ] - [ -0.0003657300000000, -0.0002354300000000, 0.0003852600000000 ] - [ -0.0001333900000000, 0.0006300900000000, -0.0004834000000000 ] - [ -0.0001479300000000, 0.0002915200000000, 0.0001417600000000 ] - [ -0.0000618600000000, 0.0000130400000000, -0.0001995700000000 ] - [ -0.0022071700000000, 0.0029473600000000, 0.0018498400000000 ] - [ 0.0000309800000000, 0.0003102900000000, 0.0000861000000000 ] - [ -0.0000025700000000, -0.0003874300000000, 0.0002480500000000 ] - [ -0.0000822700000000, -0.0002928100000000, -0.0001203200000000 ] - [ 0.0000124600000000, -0.0003031300000000, 0.0000912700000000 ] - [ -0.0000121200000000, 0.0000733900000000, -0.0000622300000000 ] - [ -0.0000868300000000, 0.0000737800000000, 0.0001436800000000 ] - [ -0.0000466200000000, -0.0001336900000000, -0.0000111400000000 ] - [ -0.0000255400000000, -0.0001762600000000, -0.0002198500000000 ] - [ -0.0000412500000000, 0.0000409200000000, 0.0001065600000000 ] - [ 0.0001042900000000, 0.0011513700000000, -0.0012440100000000 ] - [ 0.0000915900000000, 0.0001396300000000, 0.0000505000000000 ] - [ 0.0000649000000000, -0.0002238200000000, -0.0001402200000000 ] - [ 0.0030702100000000, 0.0034413100000000, -0.0054581000000000 ] - [ 0.0001507700000000, -0.0002167400000000, -0.0001918100000000 ] - [ 0.0000220200000000, 0.0000489500000000, 0.0000744100000000 ] - [ 0.0000763500000000, -0.0002979000000000, -0.0001824600000000 ] - [ -0.0000068200000000, -0.0005091200000000, 0.0001255200000000 ] - [ -0.0004212400000000, -0.0013224200000000, 0.0000713600000000 ] - [ -0.0030453300000000, -0.0011734100000000, -0.0015418800000000 ] - [ 0.0008170600000000, -0.0008831700000000, 0.0007377400000000 ] - [ 0.0002675500000000, 0.0001697400000000, -0.0001649800000000 ] - [ -0.0003681600000000, 0.0005671100000000, -0.0005640700000000 ] - [ -0.0004737700000000, 0.0011407200000000, 0.0001539500000000 ] - [ -0.0000527100000000, 0.0001937800000000, 0.0000544200000000 ] - [ 0.0051657600000000, 0.0147631800000000, 0.0033366200000000 ] - [ -0.0025862200000000, -0.0001578800000000, 0.0006033200000000 ] - [ -0.0002395200000000, -0.0004050100000000, -0.0001126700000000 ] - [ -0.0000516500000000, -0.0003703100000000, -0.0003152500000000 ] - [ 0.0003756200000000, -0.0003362200000000, 0.0001984700000000 ] - [ -0.0000741500000000, -0.0000152600000000, -0.0004308300000000 ] - [ -0.0003976600000000, 0.0005694700000000, -0.0001171300000000 ] - [ -0.0001994200000000, 0.0002380400000000, -0.0002327200000000 ] - [ 0.0003408600000000, 0.0000053300000000, -0.0001914600000000 ] - [ 0.0003022300000000, -0.0000970100000000, 0.0000131600000000 ] - [ 0.0000483200000000, 0.0001210400000000, -0.0002207000000000 ] - [ -0.0010075900000000, 0.0008148100000000, 0.0011604000000000 ] - [ 0.0000949300000000, 0.0004711300000000, -0.0000758600000000 ] - [ -0.0002055300000000, -0.0000346000000000, 0.0002774800000000 ] - [ 0.0000651500000000, 0.0001148700000000, 0.0005187000000000 ] - [ -0.0001756200000000, -0.0005508800000000, 0.0002024200000000 ] - [ -0.0009171400000000, 0.0002139900000000, -0.0007660800000000 ] - [ 0.0001754200000000, -0.0002471100000000, -0.0000224800000000 ] - [ 0.0001019200000000, 0.0001276200000000, -0.0001571900000000 ] - [ 0.0016142400000000, -0.0022636700000000, 0.0003593200000000 ] - [ -0.0002627700000000, -0.0000379100000000, -0.0000653200000000 ] - [ -0.0000536100000000, -0.0001296300000000, -0.0001405500000000 ] - [ 0.0000258200000000, -0.0004353600000000, 0.0001178300000000 ] - [ 0.0055557200000000, 0.0013899800000000, 0.0072606000000000 ] - [ -0.0001749000000000, 0.0001516900000000, -0.0017680100000000 ] - [ -0.0084948300000000, -0.0304086900000000, -0.0028743200000000 ] - [ 0.0001450700000000, -0.0003347500000000, -0.0003896800000000 ] - [ 0.0001240600000000, 0.0002755100000000, 0.0000418200000000 ] - [ -0.0001968500000000, 0.0000481800000000, -0.0000723100000000 ] - [ 0.0000770300000000, -0.0002548600000000, -0.0000598200000000 ] - [ -0.0000172000000000, -0.0001432300000000, -0.0003948200000000 ] - [ 0.0003192000000000, 0.0004317900000000, -0.0001142500000000 ] - [ -0.0013187500000000, 0.0013233900000000, -0.0014254300000000 ] - [ 0.0001471400000000, 0.0000105800000000, -0.0000579100000000 ] - [ 0.0004046500000000, 0.0002182500000000, -0.0001192100000000 ] - [ 0.0001046100000000, 0.0002410700000000, -0.0000607700000000 ] - [ 0.0029421600000000, 0.0016585800000000, -0.0005826500000000 ] - [ 0.0009482300000000, 0.0003722600000000, 0.0004598900000000 ] - [ -0.0000619500000000, 0.0000573400000000, 0.0000617800000000 ] - [ -0.0009898400000000, -0.0001768900000000, -0.0000239500000000 ] - [ 0.0002660000000000, -0.0000742100000000, 0.0002199600000000 ] - [ 0.0000143500000000, 0.0002891800000000, -0.0001479100000000 ] - [ -0.0001085000000000, 0.0000087100000000, -0.0001398200000000 ] - [ 0.0002150600000000, 0.0001606200000000, 0.0001576100000000 ] - [ 0.0000124200000000, 0.0004262800000000, 0.0003595800000000 ] - [ -0.0001574000000000, 0.0000786600000000, 0.0002384300000000 ] - [ -0.0001125800000000, 0.0003225300000000, 0.0003421400000000 ] - [ -0.0001659800000000, -0.0003687100000000, 0.0001517500000000 ] - [ 0.0004153900000000, -0.0000734400000000, 0.0000305600000000 ] - [ 0.0000746200000000, -0.0000404500000000, -0.0000083000000000 ] - [ 0.0000815500000000, 0.0000072200000000, -0.0001573500000000 ] - [ -0.0002071800000000, 0.0000960600000000, 0.0002790000000000 ] - [ -0.0002723900000000, -0.0000675600000000, 0.0000782300000000 ] - [ -0.0000145500000000, 0.0001253200000000, -0.0000243100000000 ] - [ 0.0000071900000000, -0.0005756600000000, 0.0004466900000000 ] - [ -0.0000017200000000, -0.0000131900000000, 0.0001640800000000 ] - [ 0.0001933700000000, 0.0000769200000000, -0.0000464300000000 ] - [ -0.0002609400000000, -0.0000598100000000, -0.0002292300000000 ] - [ 0.0002103600000000, -0.0001583900000000, -0.0001341200000000 ] - [ 0.0001464800000000, 0.0000738300000000, -0.0000006900000000 ] - [ -0.0002991200000000, 0.0002024300000000, -0.0002555800000000 ] - [ 0.0000432600000000, 0.0000478100000000, -0.0000139900000000 ] - [ -0.0000742700000000, -0.0000185500000000, -0.0002340300000000 ] - [ 0.0010891200000000, 0.0003995400000000, -0.0003776000000000 ] - [ -0.0001975500000000, 0.0002839600000000, 0.0000677700000000 ] - [ 0.0001916700000000, 0.0000510800000000, 0.0000034500000000 ] - [ 0.0004200700000000, 0.0001907100000000, 0.0000090800000000 ] - [ 0.0000645400000000, 0.0002417500000000, -0.0000082100000000 ] - [ 0.0001434700000000, 0.0000796300000000, 0.0000455800000000 ] - [ -0.0002200400000000, 0.0004965000000000, 0.0001654000000000 ] - [ 0.0000090100000000, 0.0003801200000000, -0.0000494800000000 ] - [ -0.0000392800000000, -0.0000553300000000, 0.0003440700000000 ] - [ 0.0002649300000000, 0.0001278500000000, 0.0001776100000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001741200000000, -0.0000640200000000, 0.0001833200000000 ] - [ 0.0004513300000000, -0.0058845000000000, -0.0010230700000000 ] - [ 0.0003314500000000, -0.0000400600000000, -0.0001326400000000 ] - [ 0.0000672000000000, -0.0003086300000000, 0.0003596800000000 ] - [ -0.0000630100000000, 0.0000535000000000, 0.0001447500000000 ] - [ 0.0000521500000000, 0.0001783200000000, -0.0001991100000000 ] - [ 0.0021458600000000, -0.0030991500000000, -0.0021835400000000 ] - [ -0.0000665800000000, -0.0000349100000000, 0.0001621200000000 ] - [ -0.0002068700000000, 0.0000418400000000, 0.0000395600000000 ] - [ 0.0000162200000000, -0.0000289000000000, -0.0000030700000000 ] - [ -0.0000488300000000, 0.0000286800000000, 0.0001595700000000 ] - [ -0.0000540200000000, 0.0002482300000000, -0.0000607600000000 ] - [ -0.0001237300000000, 0.0002726100000000, 0.0001428600000000 ] - [ 0.0000359600000000, 0.0003266600000000, -0.0003873400000000 ] - [ 0.0000156400000000, -0.0000154600000000, -0.0001783200000000 ] - [ 0.0000050200000000, 0.0002335800000000, 0.0001447100000000 ] - [ 0.0000557400000000, -0.0009077100000000, 0.0009080300000000 ] - [ -0.0000215400000000, 0.0002045800000000, 0.0001986600000000 ] - [ 0.0001061000000000, -0.0000185900000000, -0.0002122800000000 ] - [ -0.0029497500000000, -0.0038496200000000, 0.0057034900000000 ] - [ 0.0000206200000000, 0.0004619300000000, -0.0001592900000000 ] - [ 0.0000472700000000, 0.0002957000000000, 0.0001761200000000 ] - [ 0.0000961200000000, 0.0000534100000000, -0.0001667000000000 ] - [ 0.0000765900000000, 0.0001626400000000, 0.0001239100000000 ] - [ -0.0004141400000000, -0.0000656200000000, -0.0002393200000000 ] - [ 0.0025397700000000, 0.0005791300000000, 0.0012735200000000 ] - [ -0.0009583900000000, 0.0006684900000000, -0.0015427700000000 ] - [ 0.0004913200000000, -0.0005775400000000, 0.0003150500000000 ] - [ 0.0002295300000000, -0.0003579200000000, -0.0002382200000000 ] - [ -0.0003616200000000, 0.0002322700000000, -0.0003152400000000 ] - [ -0.0004550500000000, 0.0004200100000000, -0.0003186300000000 ] - [ -0.0041650000000000, -0.0143108100000000, -0.0029318600000000 ] - [ 0.0017533100000000, -0.0012204200000000, -0.0007671700000000 ] - [ -0.0002663300000000, -0.0002089700000000, -0.0001521400000000 ] - [ -0.0000910400000000, 0.0001591500000000, -0.0004859300000000 ] - [ 0.0003836800000000, -0.0000683200000000, -0.0000471200000000 ] - [ -0.0000698300000000, 0.0002273600000000, -0.0003705400000000 ] - [ -0.0004369800000000, 0.0008182000000000, -0.0000505800000000 ] - [ -0.0003067800000000, 0.0003761400000000, -0.0000302000000000 ] - [ 0.0004193900000000, 0.0003992300000000, 0.0003423400000000 ] - [ -0.0001684700000000, 0.0000475300000000, -0.0002861400000000 ] - [ -0.0002528500000000, -0.0000377800000000, -0.0000946300000000 ] - [ 0.0014775900000000, -0.0008789800000000, -0.0008151800000000 ] - [ -0.0000911300000000, 0.0004107900000000, 0.0007264600000000 ] - [ -0.0001100500000000, 0.0000708600000000, 0.0002152600000000 ] - [ -0.0002316500000000, 0.0003494000000000, 0.0001851500000000 ] - [ -0.0001790000000000, -0.0002609100000000, 0.0001335400000000 ] - [ 0.0017801600000000, -0.0005185200000000, 0.0008088600000000 ] - [ 0.0000093100000000, -0.0001409500000000, -0.0000965700000000 ] - [ 0.0000370600000000, -0.0000759000000000, -0.0001147900000000 ] - [ -0.0019110300000000, 0.0022339000000000, 0.0001268700000000 ] - [ -0.0001698100000000, -0.0002287900000000, 0.0000958200000000 ] - [ 0.0001430000000000, 0.0002067000000000, 0.0001388700000000 ] - [ -0.0000255900000000, -0.0004485000000000, 0.0005298100000000 ] - [ -0.0055759900000000, -0.0019273200000000, -0.0072984900000000 ] - [ 0.0005339000000000, -0.0001509800000000, 0.0016748100000000 ] - [ 0.0076402300000000, 0.0302059400000000, 0.0022019600000000 ] - [ 0.0003195100000000, -0.0000852900000000, 0.0001643100000000 ] - [ 0.0001691100000000, 0.0000627600000000, 0.0000141100000000 ] - [ -0.0004023000000000, 0.0002724000000000, -0.0004191900000000 ] - [ 0.0000123000000000, 0.0001805700000000, 0.0000593900000000 ] - [ -0.0002006900000000, 0.0000767200000000, 0.0000851300000000 ] - [ 0.0001430900000000, 0.0000020700000000, -0.0001166600000000 ] - [ 0.0008532800000000, -0.0010190900000000, 0.0014253200000000 ] - [ 0.0002106300000000, -0.0000228200000000, -0.0000321800000000 ] - [ 0.0004503400000000, 0.0000842000000000, 0.0001667300000000 ] - [ 0.0000817100000000, 0.0001468200000000, -0.0000582700000000 ] - [ -0.0026287700000000, -0.0019779500000000, 0.0006325700000000 ] - [ -0.0012750200000000, 0.0004424200000000, -0.0001446500000000 ] - [ 0.0000772700000000, 0.0004706900000000, -0.0000358200000000 ] - [ 0.0008329700000000, -0.0002903800000000, 0.0007240400000000 ] - [ 0.0002047300000000, 0.0001445500000000, 0.0001300100000000 ] - [ 0.0001246500000000, -0.0003398700000000, -0.0001242800000000 ] - [ -0.0000935300000000, 0.0000759200000000, -0.0001761800000000 ] - [ 0.0002569300000000, -0.0002306200000000, 0.0001916800000000 ] - [ -0.0000126800000000, 0.0004577100000000, 0.0002881100000000 ] - [ -0.0001579800000000, -0.0000427500000000, 0.0002536600000000 ] - [ -0.0000511700000000, 0.0001429800000000, 0.0003601700000000 ] - [ -0.0001881700000000, -0.0004431200000000, 0.0001824400000000 ] - [ 0.0004396100000000, -0.0002291900000000, 0.0000157400000000 ] - [ 0.0001117300000000, -0.0003481000000000, -0.0001106800000000 ] - [ 0.0000580500000000, 0.0000466000000000, -0.0001163400000000 ] - [ -0.0001087200000000, -0.0001319400000000, 0.0002132100000000 ] - [ -0.0001606700000000, -0.0001989600000000, -0.0000481200000000 ] - [ 0.0001029700000000, -0.0000540700000000, 0.0000220700000000 ] - [ -0.0000093600000000, -0.0003082500000000, 0.0002027100000000 ] - [ 0.0000176700000000, -0.0005092300000000, -0.0001361600000000 ] - [ 0.0001640200000000, -0.0000644500000000, -0.0000440300000000 ] - [ -0.0003386700000000, -0.0002595700000000, -0.0002623700000000 ] - [ 0.0002525300000000, -0.0002729500000000, -0.0000961600000000 ] - [ 0.0001472000000000, 0.0002663500000000, 0.0000551500000000 ] - [ -0.0003003400000000, 0.0001169700000000, -0.0002359400000000 ] - [ 0.0000471800000000, -0.0001223500000000, 0.0000129000000000 ] - [ -0.0001276200000000, -0.0000656800000000, -0.0000822300000000 ] - [ -0.0006240100000000, 0.0000361900000000, 0.0001454800000000 ] - [ -0.0002353000000000, -0.0000169400000000, -0.0000365900000000 ] - [ 0.0001658300000000, -0.0000638100000000, -0.0000944400000000 ] - [ 0.0004342600000000, 0.0001118500000000, 0.0000369000000000 ] - [ 0.0001199500000000, 0.0001493600000000, -0.0001127300000000 ] - [ 0.0001497100000000, -0.0004175700000000, 0.0000105200000000 ] - [ -0.0001342800000000, 0.0003158600000000, 0.0001696700000000 ] - [ 0.0000067000000000, 0.0001428800000000, 0.0000771700000000 ] - [ -0.0001242100000000, -0.0004101300000000, 0.0003586900000000 ] - [ 0.0002071800000000, -0.0000577800000000, 0.0001716600000000 ]- atom: 57 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0001154800000000, -0.0002187500000000, 0.0001114900000000 ] - [ -0.0003757000000000, 0.0012508100000000, 0.0003481400000000 ] - [ 0.0000361000000000, 0.0001798300000000, 0.0004478700000000 ] - [ -0.0000750300000000, 0.0000324500000000, -0.0003667600000000 ] - [ -0.0000058300000000, 0.0000758700000000, -0.0000216400000000 ] - [ -0.0000036400000000, 0.0000920100000000, -0.0002574400000000 ] - [ -0.0020575300000000, 0.0019795500000000, 0.0014386000000000 ] - [ 0.0000657000000000, 0.0002213400000000, -0.0002611800000000 ] - [ -0.0001401500000000, -0.0000823200000000, 0.0001722700000000 ] - [ -0.0000252300000000, -0.0001627100000000, -0.0000258000000000 ] - [ -0.0000109000000000, -0.0001161500000000, 0.0001418700000000 ] - [ -0.0000389900000000, 0.0001621900000000, -0.0000786200000000 ] - [ -0.0001094400000000, 0.0002011700000000, 0.0001596100000000 ] - [ 0.0000577800000000, 0.0003875500000000, -0.0002491100000000 ] - [ 0.0000018200000000, -0.0000755300000000, -0.0001752500000000 ] - [ -0.0000117400000000, 0.0001424400000000, 0.0001083600000000 ] - [ 0.0008591900000000, -0.0011771900000000, 0.0040558100000000 ] - [ 0.0000658200000000, 0.0002706200000000, 0.0000649300000000 ] - [ 0.0000081400000000, 0.0002885000000000, -0.0003292500000000 ] - [ -0.0126699800000000, -0.0080906700000000, 0.0231689000000000 ] - [ 0.0000771100000000, 0.0001284300000000, -0.0001929100000000 ] - [ -0.0000128100000000, 0.0000973700000000, 0.0000845000000000 ] - [ 0.0001141900000000, -0.0000425500000000, -0.0002549000000000 ] - [ 0.0000378100000000, -0.0001490800000000, 0.0001259700000000 ] - [ -0.0004894700000000, -0.0008201400000000, -0.0001329200000000 ] - [ 0.0009539000000000, 0.0013420500000000, 0.0032017500000000 ] - [ 0.0024608600000000, -0.0008956800000000, 0.0013348700000000 ] - [ 0.0004217800000000, 0.0001648300000000, -0.0000036300000000 ] - [ 0.0005874300000000, -0.0000938700000000, -0.0006919700000000 ] - [ -0.0006742100000000, 0.0009033300000000, -0.0003265300000000 ] - [ -0.0003563700000000, 0.0003333700000000, -0.0002174500000000 ] - [ 0.0202647200000000, 0.0020972700000000, 0.0339919200000000 ] - [ 0.0007529000000000, -0.0008584700000000, -0.0000151100000000 ] - [ -0.0002396900000000, -0.0003184300000000, -0.0002025100000000 ] - [ -0.0000554400000000, -0.0000611800000000, -0.0003886400000000 ] - [ 0.0004058500000000, -0.0002042100000000, 0.0000239400000000 ] - [ -0.0000679100000000, 0.0001130900000000, -0.0004286500000000 ] - [ -0.0003920400000000, 0.0007029600000000, -0.0001223600000000 ] - [ -0.0002157900000000, 0.0003452700000000, -0.0001369300000000 ] - [ 0.0004056900000000, 0.0002133600000000, 0.0000908000000000 ] - [ -0.0005676000000000, 0.0002035300000000, -0.0004842500000000 ] - [ -0.0003623500000000, -0.0000691100000000, -0.0000270200000000 ] - [ -0.0027435200000000, 0.0024015500000000, 0.0023157700000000 ] - [ -0.0000202600000000, 0.0003900000000000, 0.0003427200000000 ] - [ -0.0001473700000000, -0.0001011700000000, 0.0003567400000000 ] - [ -0.0003929200000000, 0.0003050600000000, 0.0003911400000000 ] - [ -0.0002439000000000, -0.0005025100000000, 0.0003962200000000 ] - [ 0.0017514400000000, -0.0005148200000000, -0.0000285900000000 ] - [ 0.0003604600000000, -0.0001798600000000, -0.0003204900000000 ] - [ 0.0000666000000000, 0.0000341700000000, -0.0001305200000000 ] - [ -0.0079026400000000, 0.0007035800000000, -0.0053820800000000 ] - [ -0.0001912100000000, -0.0001744100000000, 0.0000537300000000 ] - [ -0.0002599600000000, 0.0000773800000000, -0.0003903900000000 ] - [ 0.0000064500000000, -0.0004401000000000, 0.0002771300000000 ] - [ 0.0040822000000000, 0.0021982500000000, 0.0016902800000000 ] - [ 0.0020614600000000, -0.0018004300000000, 0.0028850500000000 ] - [ -0.0029568300000000, -0.0001671400000000, -0.0643745000000000 ] - [ 0.0002447700000000, -0.0004544200000000, -0.0002650100000000 ] - [ 0.0001330200000000, 0.0001574400000000, 0.0000546100000000 ] - [ -0.0001727000000000, 0.0000292600000000, -0.0000918100000000 ] - [ -0.0001646200000000, -0.0001402900000000, 0.0002934600000000 ] - [ -0.0004321700000000, 0.0014088500000000, -0.0008268700000000 ] - [ 0.0002391800000000, 0.0002281500000000, -0.0001721000000000 ] - [ -0.0000772000000000, -0.0007978000000000, -0.0009137700000000 ] - [ 0.0001928200000000, -0.0000340200000000, -0.0000036700000000 ] - [ 0.0005097100000000, 0.0000905400000000, 0.0000952600000000 ] - [ 0.0000681700000000, 0.0001407900000000, -0.0000885100000000 ] - [ -0.0010653300000000, -0.0011618400000000, 0.0001516900000000 ] - [ -0.0008600800000000, 0.0000621300000000, -0.0015243200000000 ] - [ -0.0001133900000000, 0.0001193200000000, -0.0000011600000000 ] - [ -0.0008902200000000, -0.0006327100000000, -0.0006994900000000 ] - [ 0.0000530400000000, -0.0000312700000000, 0.0003687100000000 ] - [ 0.0000527500000000, 0.0000511100000000, -0.0001242400000000 ] - [ -0.0000887600000000, 0.0000431000000000, -0.0001614800000000 ] - [ 0.0002526300000000, -0.0000838900000000, 0.0001653800000000 ] - [ -0.0000448800000000, 0.0004237800000000, 0.0003473900000000 ] - [ -0.0001887700000000, 0.0000148600000000, 0.0002795900000000 ] - [ -0.0000800100000000, 0.0002491900000000, 0.0003676100000000 ] - [ -0.0001810900000000, -0.0004130500000000, 0.0001842700000000 ] - [ 0.0004261800000000, -0.0001510700000000, 0.0000298200000000 ] - [ 0.0000871000000000, -0.0001889500000000, -0.0000428500000000 ] - [ 0.0001011800000000, -0.0000538200000000, -0.0000232000000000 ] - [ -0.0001621200000000, -0.0000151900000000, 0.0002405900000000 ] - [ -0.0002182400000000, -0.0001025200000000, 0.0001003500000000 ] - [ 0.0000369600000000, 0.0000428200000000, -0.0000380400000000 ] - [ -0.0001266300000000, -0.0003639100000000, 0.0002854600000000 ] - [ 0.0000135800000000, -0.0002479400000000, 0.0000337300000000 ] - [ 0.0001822500000000, 0.0000005500000000, -0.0000365500000000 ] - [ -0.0003015400000000, -0.0001574300000000, -0.0002578300000000 ] - [ 0.0002320900000000, -0.0002426000000000, -0.0000892600000000 ] - [ 0.0002979400000000, 0.0002396700000000, 0.0001424300000000 ] - [ -0.0003035700000000, 0.0001700200000000, -0.0002089100000000 ] - [ 0.0000441100000000, -0.0000272700000000, 0.0000086300000000 ] - [ -0.0000992800000000, -0.0000399400000000, -0.0001333000000000 ] - [ -0.0001683100000000, 0.0003260100000000, -0.0001822000000000 ] - [ -0.0002160500000000, 0.0001799200000000, 0.0000895500000000 ] - [ 0.0001046500000000, 0.0001013000000000, 0.0000503800000000 ] - [ 0.0004099600000000, 0.0001309000000000, 0.0000746800000000 ] - [ 0.0001958500000000, 0.0001225700000000, -0.0000041300000000 ] - [ 0.0001581500000000, -0.0001447900000000, 0.0000329700000000 ] - [ -0.0001876900000000, 0.0003930500000000, 0.0001570800000000 ] - [ -0.0000028900000000, 0.0002755300000000, 0.0000392700000000 ] - [ -0.0000986500000000, -0.0002730800000000, 0.0003436200000000 ] - [ 0.0002346400000000, 0.0000342500000000, 0.0001892100000000 ]- atom: 57 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0000952900000000, -0.0001282500000000, 0.0001745400000000 ] - [ 0.0003074300000000, -0.0015473600000000, -0.0004559800000000 ] - [ -0.0000719600000000, -0.0004559000000000, -0.0001955300000000 ] - [ 0.0000090800000000, 0.0002900500000000, 0.0002398500000000 ] - [ -0.0002049200000000, 0.0002731300000000, 0.0003114200000000 ] - [ -0.0000057500000000, 0.0000995700000000, -0.0001414000000000 ] - [ 0.0019913600000000, -0.0020869200000000, -0.0017833200000000 ] - [ -0.0001023100000000, 0.0000519100000000, 0.0005089100000000 ] - [ -0.0000702900000000, -0.0002642400000000, 0.0001138900000000 ] - [ -0.0000404200000000, -0.0001585700000000, -0.0000965200000000 ] - [ -0.0000254900000000, -0.0001579600000000, 0.0001098900000000 ] - [ -0.0000270200000000, 0.0001588700000000, -0.0000447700000000 ] - [ -0.0001012800000000, 0.0001455200000000, 0.0001275000000000 ] - [ -0.0000682300000000, -0.0001978900000000, -0.0001501700000000 ] - [ -0.0000113800000000, -0.0001160300000000, -0.0002222300000000 ] - [ -0.0000243600000000, 0.0001314800000000, 0.0001424300000000 ] - [ -0.0006851000000000, 0.0014235000000000, -0.0044119000000000 ] - [ 0.0000044300000000, 0.0000745100000000, 0.0001853800000000 ] - [ 0.0001618000000000, -0.0005276800000000, -0.0000223200000000 ] - [ 0.0134985900000000, 0.0081746100000000, -0.0236912900000000 ] - [ 0.0000943400000000, 0.0001169600000000, -0.0001579900000000 ] - [ 0.0000820000000000, 0.0002464700000000, 0.0001639200000000 ] - [ 0.0000570800000000, -0.0002017000000000, -0.0000975200000000 ] - [ 0.0000320400000000, -0.0001977700000000, 0.0001236200000000 ] - [ -0.0003441900000000, -0.0005667200000000, -0.0000323300000000 ] - [ -0.0014780100000000, -0.0019433900000000, -0.0034962800000000 ] - [ -0.0026040700000000, 0.0006812900000000, -0.0021516800000000 ] - [ 0.0003382000000000, -0.0005644900000000, 0.0001560600000000 ] - [ -0.0007237600000000, 0.0003033900000000, -0.0001120200000000 ] - [ -0.0001626700000000, 0.0004897000000000, 0.0001568400000000 ] - [ -0.0001501000000000, 0.0002808100000000, -0.0000469500000000 ] - [ -0.0197009500000000, -0.0016825500000000, -0.0337910100000000 ] - [ -0.0015887500000000, -0.0005292800000000, -0.0001513800000000 ] - [ -0.0002658900000000, -0.0002949700000000, -0.0000636100000000 ] - [ -0.0000883900000000, -0.0001513000000000, -0.0004134500000000 ] - [ 0.0003539600000000, -0.0002006900000000, 0.0001276200000000 ] - [ -0.0000758800000000, 0.0000994000000000, -0.0003741200000000 ] - [ -0.0004420600000000, 0.0006831800000000, -0.0000447700000000 ] - [ -0.0002878200000000, 0.0002656300000000, -0.0001273800000000 ] - [ 0.0003548300000000, 0.0001910200000000, 0.0000628700000000 ] - [ 0.0007069900000000, -0.0002530000000000, 0.0002147500000000 ] - [ 0.0001581200000000, 0.0001540100000000, -0.0002826900000000 ] - [ 0.0032454200000000, -0.0025098900000000, -0.0019931400000000 ] - [ 0.0000167000000000, 0.0004891100000000, 0.0003007400000000 ] - [ -0.0001676400000000, 0.0001372200000000, 0.0001383200000000 ] - [ 0.0002257200000000, 0.0001618600000000, 0.0003118400000000 ] - [ -0.0001115100000000, -0.0003113000000000, -0.0000574500000000 ] - [ -0.0008957100000000, 0.0002181200000000, 0.0000662000000000 ] - [ -0.0001902700000000, -0.0002142500000000, 0.0002153600000000 ] - [ 0.0000733200000000, 0.0000162500000000, -0.0001406300000000 ] - [ 0.0075783800000000, -0.0007305300000000, 0.0058711900000000 ] - [ -0.0002412400000000, -0.0000942400000000, -0.0000229600000000 ] - [ 0.0003489900000000, -0.0000014300000000, 0.0003943900000000 ] - [ -0.0000057300000000, -0.0004417300000000, 0.0003680500000000 ] - [ -0.0041054200000000, -0.0027504000000000, -0.0016467800000000 ] - [ -0.0017386300000000, 0.0018414000000000, -0.0030461500000000 ] - [ 0.0019746300000000, -0.0006746500000000, 0.0646588100000000 ] - [ 0.0002151400000000, 0.0000185300000000, 0.0000297600000000 ] - [ 0.0001589100000000, 0.0001789600000000, 0.0000015900000000 ] - [ -0.0004244000000000, 0.0002890200000000, -0.0003959700000000 ] - [ 0.0002528000000000, 0.0000635600000000, -0.0002941400000000 ] - [ 0.0002350700000000, -0.0014909600000000, 0.0005172300000000 ] - [ 0.0002213900000000, 0.0001997000000000, -0.0000605800000000 ] - [ -0.0003553800000000, 0.0010621900000000, 0.0009522900000000 ] - [ 0.0001644100000000, 0.0000206600000000, -0.0000887300000000 ] - [ 0.0003465100000000, 0.0002103600000000, -0.0000511600000000 ] - [ 0.0001180500000000, 0.0002486400000000, -0.0000324000000000 ] - [ 0.0013622600000000, 0.0008354700000000, -0.0000952000000000 ] - [ 0.0004747300000000, 0.0007328800000000, 0.0018500900000000 ] - [ 0.0001265800000000, 0.0004032600000000, 0.0000263600000000 ] - [ 0.0007265500000000, 0.0001635500000000, 0.0013990700000000 ] - [ 0.0004162700000000, 0.0001027800000000, -0.0000197600000000 ] - [ 0.0000869500000000, -0.0001007500000000, -0.0001466000000000 ] - [ -0.0001129800000000, 0.0000432600000000, -0.0001529500000000 ] - [ 0.0002192200000000, 0.0000124600000000, 0.0001830200000000 ] - [ 0.0000444700000000, 0.0004580700000000, 0.0002998600000000 ] - [ -0.0001268700000000, 0.0000218800000000, 0.0002148700000000 ] - [ -0.0000823700000000, 0.0002190100000000, 0.0003343700000000 ] - [ -0.0001732400000000, -0.0004010100000000, 0.0001523200000000 ] - [ 0.0004294000000000, -0.0001505500000000, 0.0000149400000000 ] - [ 0.0000996000000000, -0.0002005000000000, -0.0000766100000000 ] - [ 0.0000388900000000, 0.0001013700000000, -0.0002462700000000 ] - [ -0.0001529500000000, -0.0000216300000000, 0.0002535100000000 ] - [ -0.0002159500000000, -0.0001640800000000, -0.0000687200000000 ] - [ 0.0000540600000000, 0.0000320200000000, 0.0000376600000000 ] - [ 0.0001272600000000, -0.0005145200000000, 0.0003598300000000 ] - [ 0.0000024900000000, -0.0002773300000000, -0.0000073100000000 ] - [ 0.0001743600000000, 0.0000126300000000, -0.0000555200000000 ] - [ -0.0002987700000000, -0.0001627200000000, -0.0002322500000000 ] - [ 0.0002307200000000, -0.0001883500000000, -0.0001413000000000 ] - [ -0.0000051400000000, 0.0000968400000000, -0.0000846800000000 ] - [ -0.0002962700000000, 0.0001504500000000, -0.0002805700000000 ] - [ 0.0000464800000000, -0.0000470400000000, -0.0000091100000000 ] - [ -0.0001024300000000, -0.0000465800000000, -0.0001809600000000 ] - [ 0.0006308800000000, 0.0001073900000000, -0.0000486300000000 ] - [ -0.0002162500000000, 0.0000889300000000, -0.0000578800000000 ] - [ 0.0002519900000000, -0.0001120000000000, -0.0001420900000000 ] - [ 0.0004447200000000, 0.0001710600000000, -0.0000301300000000 ] - [ -0.0000068900000000, 0.0002657200000000, -0.0001142600000000 ] - [ 0.0001339500000000, -0.0001901800000000, 0.0000232500000000 ] - [ -0.0001666400000000, 0.0004207500000000, 0.0001789700000000 ] - [ 0.0000184300000000, 0.0002500600000000, -0.0000117000000000 ] - [ -0.0000642400000000, -0.0001947100000000, 0.0003580600000000 ] - [ 0.0002373300000000, 0.0000376000000000, 0.0001597900000000 ]- atom: 58 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0001060900000000, -0.0001749100000000, 0.0001374500000000 ] - [ -0.0000111100000000, -0.0001883800000000, -0.0000615300000000 ] - [ -0.0000264400000000, -0.0001436200000000, 0.0001367300000000 ] - [ 0.0032465600000000, -0.0017275900000000, 0.0026771900000000 ] - [ -0.0000810500000000, 0.0001390300000000, 0.0005243300000000 ] - [ 0.0000046400000000, 0.0000958400000000, -0.0002335200000000 ] - [ -0.0007934400000000, 0.0002242700000000, -0.0009738100000000 ] - [ 0.0037716600000000, 0.0020425300000000, -0.0023238200000000 ] - [ -0.0000274100000000, -0.0002274700000000, -0.0000403400000000 ] - [ -0.0000525800000000, -0.0001274700000000, -0.0000823400000000 ] - [ -0.0000516800000000, -0.0001007100000000, 0.0001251000000000 ] - [ 0.0000496700000000, 0.0002623400000000, -0.0000703400000000 ] - [ -0.0000808400000000, 0.0001816100000000, 0.0001645000000000 ] - [ -0.0001383400000000, 0.0000784800000000, -0.0001418300000000 ] - [ -0.0000366100000000, -0.0000645000000000, -0.0001637900000000 ] - [ -0.0000209200000000, 0.0001335200000000, 0.0001368800000000 ] - [ 0.0003586500000000, 0.0000356400000000, -0.0000969200000000 ] - [ -0.0001121900000000, 0.0002203900000000, 0.0000966000000000 ] - [ 0.0000837500000000, -0.0002333200000000, -0.0001714900000000 ] - [ -0.0000795800000000, -0.0003452100000000, 0.0002779800000000 ] - [ 0.0000986000000000, 0.0001766600000000, -0.0001765200000000 ] - [ 0.0010426000000000, 0.0033174900000000, -0.0013573500000000 ] - [ 0.0000163400000000, -0.0018107200000000, 0.0012498900000000 ] - [ 0.0000188200000000, -0.0001329100000000, 0.0001020400000000 ] - [ -0.0004254900000000, -0.0006999900000000, -0.0000865500000000 ] - [ -0.0007499900000000, -0.0003418200000000, -0.0001194000000000 ] - [ 0.0000826800000000, -0.0001980800000000, -0.0003109100000000 ] - [ 0.0018547800000000, -0.0005460600000000, -0.0004998600000000 ] - [ -0.0001888100000000, 0.0002264500000000, -0.0003822000000000 ] - [ 0.0157616000000000, -0.0068706300000000, -0.0002054400000000 ] - [ -0.0001157300000000, 0.0001854000000000, 0.0002231800000000 ] - [ 0.0001887900000000, 0.0001905900000000, 0.0000335500000000 ] - [ -0.0002599300000000, -0.0006089900000000, -0.0000523300000000 ] - [ -0.0002124300000000, -0.0002894100000000, -0.0001486100000000 ] - [ -0.0000964900000000, -0.0000971300000000, -0.0004342100000000 ] - [ -0.0007176500000000, -0.0000242800000000, -0.0000108000000000 ] - [ -0.0001010800000000, 0.0001910100000000, -0.0001989400000000 ] - [ -0.0004391800000000, 0.0007311900000000, -0.0000635700000000 ] - [ -0.0008418600000000, 0.0002677600000000, -0.0000945200000000 ] - [ 0.0003541600000000, 0.0002535100000000, 0.0001075100000000 ] - [ -0.0001781700000000, 0.0000898200000000, -0.0004026000000000 ] - [ 0.0000452600000000, 0.0000386900000000, -0.0001992800000000 ] - [ 0.0001870800000000, 0.0000494800000000, 0.0000723200000000 ] - [ 0.0003261800000000, 0.0003443300000000, 0.0001742900000000 ] - [ -0.0003019300000000, 0.0001620000000000, 0.0001819400000000 ] - [ -0.0001058200000000, 0.0002684700000000, 0.0003630000000000 ] - [ -0.0001109400000000, -0.0004124800000000, 0.0001664600000000 ] - [ 0.0006862300000000, -0.0002703500000000, 0.0000832400000000 ] - [ 0.0001378700000000, -0.0002286800000000, -0.0004413700000000 ] - [ 0.0000696400000000, -0.0000071500000000, -0.0001346400000000 ] - [ -0.0000733400000000, -0.0000214000000000, 0.0003349200000000 ] - [ -0.0002692300000000, -0.0005111500000000, 0.0000750900000000 ] - [ 0.0000216500000000, 0.0000542900000000, -0.0000444300000000 ] - [ 0.0000037200000000, -0.0004491100000000, 0.0003162400000000 ] - [ 0.0000758700000000, -0.0002034100000000, 0.0001430200000000 ] - [ 0.0003145100000000, 0.0000002400000000, 0.0000428200000000 ] - [ -0.0001561400000000, -0.0002475600000000, -0.0001802400000000 ] - [ -0.0252570000000000, 0.0088094400000000, -0.0008382400000000 ] - [ 0.0001374600000000, 0.0001406700000000, 0.0000301900000000 ] - [ -0.0004564300000000, 0.0000730800000000, -0.0002937100000000 ] - [ 0.0006660600000000, -0.0001756600000000, 0.0000298800000000 ] - [ -0.0001589300000000, 0.0000871600000000, -0.0001836400000000 ] - [ 0.0002349300000000, 0.0002158300000000, -0.0001198300000000 ] - [ -0.0000225000000000, 0.0002733300000000, 0.0002235000000000 ] - [ 0.0002165000000000, -0.0000832100000000, -0.0000983600000000 ] - [ 0.0003326200000000, 0.0002602500000000, -0.0000464100000000 ] - [ 0.0000739100000000, 0.0002091000000000, -0.0000496800000000 ] - [ 0.0003082100000000, -0.0002025700000000, -0.0000744800000000 ] - [ -0.0001849800000000, 0.0003836000000000, -0.0001423300000000 ] - [ -0.0004160000000000, 0.0009504400000000, 0.0008938500000000 ] - [ -0.0001457000000000, -0.0001981800000000, 0.0002458700000000 ] - [ 0.0003062100000000, 0.0000199400000000, 0.0001620600000000 ] - [ 0.0000729700000000, -0.0000466600000000, -0.0001268200000000 ] - [ -0.0010195100000000, 0.0005300200000000, -0.0000364200000000 ] - [ 0.0002374300000000, -0.0000433200000000, 0.0001850500000000 ] - [ 0.0000303800000000, 0.0004387000000000, 0.0003226500000000 ] - [ 0.0007374800000000, 0.0004008400000000, 0.0001182300000000 ] - [ -0.0000794300000000, -0.0000564800000000, 0.0002159200000000 ] - [ -0.0002717000000000, -0.0007874900000000, -0.0001945700000000 ] - [ 0.0004210800000000, -0.0001664500000000, 0.0000219600000000 ] - [ 0.0001003300000000, -0.0001981900000000, -0.0000516100000000 ] - [ 0.0001313300000000, 0.0076199600000000, -0.0003544000000000 ] - [ -0.0001516100000000, -0.0000333600000000, 0.0002453100000000 ] - [ 0.0001776400000000, -0.0000881200000000, 0.0001070800000000 ] - [ 0.0000541300000000, 0.0000051200000000, 0.0000431700000000 ] - [ 0.0000146100000000, -0.0003652700000000, 0.0009445300000000 ] - [ 0.0000295100000000, -0.0003138400000000, -0.0000008000000000 ] - [ 0.0001697600000000, 0.0000062600000000, -0.0000227700000000 ] - [ -0.0003086200000000, -0.0001813600000000, -0.0002479200000000 ] - [ 0.0002488000000000, -0.0002176500000000, -0.0001113300000000 ] - [ 0.0005384700000000, -0.0100941000000000, 0.0008505400000000 ] - [ 0.0007495500000000, -0.0006946700000000, -0.0003017200000000 ] - [ 0.0001665500000000, 0.0000375400000000, -0.0001463500000000 ] - [ -0.0000815400000000, -0.0000217100000000, -0.0001667500000000 ] - [ 0.0001862600000000, 0.0001912500000000, -0.0001534400000000 ] - [ -0.0002265000000000, 0.0001112100000000, 0.0000228800000000 ] - [ 0.0009511000000000, -0.0002063400000000, 0.0003568000000000 ] - [ 0.0010552200000000, 0.0002454900000000, -0.0000852000000000 ] - [ -0.0016197800000000, 0.0001069400000000, -0.0000588600000000 ] - [ 0.0001490800000000, -0.0001752800000000, 0.0000302700000000 ] - [ -0.0001752700000000, 0.0004068800000000, 0.0001799100000000 ] - [ 0.0001491000000000, 0.0001836500000000, 0.0000629600000000 ] - [ -0.0000681400000000, -0.0002469300000000, 0.0003621300000000 ] - [ 0.0001581600000000, 0.0002336300000000, 0.0002081700000000 ]- atom: 58 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0001044500000000, -0.0001713200000000, 0.0001485300000000 ] - [ -0.0000540000000000, -0.0001346700000000, -0.0000584400000000 ] - [ -0.0000097900000000, -0.0001315800000000, 0.0001151100000000 ] - [ -0.0032604900000000, 0.0019776100000000, -0.0027310300000000 ] - [ -0.0000799500000000, 0.0002305900000000, -0.0002625100000000 ] - [ -0.0000143100000000, 0.0000960500000000, -0.0001672100000000 ] - [ 0.0007822900000000, -0.0004194000000000, 0.0005768300000000 ] - [ -0.0038900900000000, -0.0018536000000000, 0.0026515500000000 ] - [ -0.0001830600000000, -0.0001185200000000, 0.0003296000000000 ] - [ -0.0000129300000000, -0.0001924700000000, -0.0000415100000000 ] - [ 0.0000152900000000, -0.0001709400000000, 0.0001233000000000 ] - [ -0.0001157600000000, 0.0000606200000000, -0.0000521200000000 ] - [ -0.0001282900000000, 0.0001672400000000, 0.0001234200000000 ] - [ 0.0001285200000000, 0.0001135200000000, -0.0002556700000000 ] - [ 0.0000260700000000, -0.0001249800000000, -0.0002327200000000 ] - [ -0.0000151600000000, 0.0001429500000000, 0.0001146100000000 ] - [ -0.0001870900000000, 0.0002053000000000, -0.0002515800000000 ] - [ 0.0001768500000000, 0.0001222400000000, 0.0001528500000000 ] - [ 0.0000946500000000, -0.0000124700000000, -0.0001798800000000 ] - [ 0.0001489800000000, -0.0000083200000000, -0.0000268900000000 ] - [ 0.0000729300000000, 0.0000721000000000, -0.0001748500000000 ] - [ -0.0009791000000000, -0.0029610000000000, 0.0016154500000000 ] - [ 0.0001587400000000, 0.0015874300000000, -0.0016025000000000 ] - [ 0.0000507100000000, -0.0002103200000000, 0.0001468600000000 ] - [ -0.0004095600000000, -0.0006863700000000, -0.0000812200000000 ] - [ 0.0002448800000000, -0.0002722900000000, -0.0001435500000000 ] - [ -0.0002251300000000, -0.0000146700000000, -0.0004888700000000 ] - [ -0.0011153700000000, 0.0001188200000000, 0.0006016200000000 ] - [ 0.0000466500000000, -0.0000133600000000, -0.0004192800000000 ] - [ -0.0165065200000000, 0.0078558000000000, 0.0000285200000000 ] - [ -0.0003901300000000, 0.0004221800000000, -0.0004591100000000 ] - [ 0.0005702000000000, 0.0002121200000000, 0.0001169000000000 ] - [ -0.0005669400000000, -0.0007765800000000, -0.0001132100000000 ] - [ -0.0002926500000000, -0.0003228500000000, -0.0001156700000000 ] - [ -0.0000470000000000, -0.0001130700000000, -0.0003683700000000 ] - [ 0.0014840800000000, -0.0003758100000000, 0.0001628600000000 ] - [ -0.0000414100000000, 0.0000240600000000, -0.0006004900000000 ] - [ -0.0003956300000000, 0.0006585500000000, -0.0001019100000000 ] - [ 0.0003388500000000, 0.0003485500000000, -0.0001684900000000 ] - [ 0.0004064200000000, 0.0001526400000000, 0.0000447200000000 ] - [ 0.0003154400000000, -0.0001394100000000, 0.0001291000000000 ] - [ -0.0002472800000000, 0.0000457500000000, -0.0001165300000000 ] - [ 0.0002850200000000, -0.0001175900000000, 0.0002756800000000 ] - [ -0.0003199900000000, 0.0004989900000000, 0.0004378800000000 ] - [ -0.0000143000000000, -0.0001254300000000, 0.0003092400000000 ] - [ -0.0000594300000000, 0.0001981000000000, 0.0003381200000000 ] - [ -0.0002430600000000, -0.0003998300000000, 0.0001686000000000 ] - [ 0.0001693500000000, -0.0000325300000000, -0.0000360800000000 ] - [ 0.0000484000000000, -0.0001605300000000, 0.0003209400000000 ] - [ 0.0000690700000000, 0.0000574100000000, -0.0001374400000000 ] - [ -0.0002421800000000, -0.0000137500000000, 0.0001568900000000 ] - [ -0.0001616500000000, 0.0002146900000000, -0.0000432600000000 ] - [ 0.0000689800000000, 0.0000241000000000, 0.0000438700000000 ] - [ -0.0000031800000000, -0.0004347200000000, 0.0003303100000000 ] - [ -0.0000598900000000, -0.0003177600000000, -0.0001152100000000 ] - [ 0.0000431700000000, 0.0000135100000000, -0.0001335400000000 ] - [ -0.0004426700000000, -0.0000711100000000, -0.0003102000000000 ] - [ 0.0256239600000000, -0.0086993600000000, 0.0004375200000000 ] - [ 0.0001546500000000, 0.0001956600000000, 0.0000257500000000 ] - [ -0.0001418800000000, 0.0002490600000000, -0.0002026700000000 ] - [ -0.0005752300000000, 0.0000984500000000, -0.0000304100000000 ] - [ -0.0000442300000000, -0.0001709800000000, -0.0001324000000000 ] - [ 0.0002280800000000, 0.0002135800000000, -0.0001110000000000 ] - [ -0.0004100100000000, -0.0000053600000000, -0.0001928200000000 ] - [ 0.0001464300000000, 0.0000721600000000, 0.0000037400000000 ] - [ 0.0005184700000000, 0.0000428900000000, 0.0000890500000000 ] - [ 0.0001129100000000, 0.0001794700000000, -0.0000690200000000 ] - [ -0.0000182000000000, -0.0001348400000000, 0.0001371000000000 ] - [ -0.0001686100000000, 0.0004282000000000, 0.0004757900000000 ] - [ 0.0004469000000000, -0.0003858800000000, -0.0008093000000000 ] - [ -0.0000172700000000, -0.0002662400000000, 0.0004561800000000 ] - [ 0.0001683000000000, 0.0000522700000000, 0.0001865800000000 ] - [ 0.0000665000000000, -0.0000057300000000, -0.0001448200000000 ] - [ 0.0008197800000000, -0.0004388400000000, -0.0002758300000000 ] - [ 0.0002349600000000, -0.0000285800000000, 0.0001642000000000 ] - [ -0.0000301000000000, 0.0004453300000000, 0.0003249600000000 ] - [ -0.0010581800000000, -0.0003707400000000, 0.0003751500000000 ] - [ -0.0000838300000000, 0.0005164700000000, 0.0004853700000000 ] - [ -0.0000793100000000, -0.0000306200000000, 0.0005259900000000 ] - [ 0.0004338900000000, -0.0001371400000000, 0.0000239800000000 ] - [ 0.0000863700000000, -0.0001905000000000, -0.0000672500000000 ] - [ -0.0000005700000000, -0.0075699000000000, 0.0000982000000000 ] - [ -0.0001637800000000, -0.0000040700000000, 0.0002472100000000 ] - [ -0.0006035700000000, -0.0001803600000000, -0.0000745400000000 ] - [ 0.0000366000000000, 0.0000676500000000, -0.0000441500000000 ] - [ -0.0000166700000000, -0.0005178800000000, -0.0002944900000000 ] - [ -0.0000134700000000, -0.0002108800000000, 0.0000278600000000 ] - [ 0.0001876600000000, 0.0000055300000000, -0.0000675300000000 ] - [ -0.0002909800000000, -0.0001391900000000, -0.0002432100000000 ] - [ 0.0002146500000000, -0.0002142800000000, -0.0001192500000000 ] - [ -0.0002671400000000, 0.0104760400000000, -0.0007855300000000 ] - [ -0.0013569500000000, 0.0010169700000000, -0.0001874400000000 ] - [ -0.0000765300000000, -0.0001091400000000, 0.0001448900000000 ] - [ -0.0001206200000000, -0.0000629300000000, -0.0001488000000000 ] - [ 0.0002760900000000, 0.0002401800000000, -0.0000765100000000 ] - [ -0.0002062500000000, 0.0001537800000000, 0.0000075300000000 ] - [ -0.0005959300000000, 0.0001914800000000, -0.0004494900000000 ] - [ -0.0002029900000000, 0.0000549600000000, 0.0001332200000000 ] - [ 0.0018086600000000, 0.0002644200000000, -0.0000442000000000 ] - [ 0.0001442000000000, -0.0001633100000000, 0.0000257300000000 ] - [ -0.0001783200000000, 0.0004048200000000, 0.0001556500000000 ] - [ -0.0001339400000000, 0.0003372600000000, -0.0000342900000000 ] - [ -0.0000954500000000, -0.0002209500000000, 0.0003407300000000 ] - [ 0.0003138400000000, -0.0001725500000000, 0.0001385200000000 ]- atom: 58 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001330300000000, -0.0003183300000000, 0.0001659900000000 ] - [ 0.0000109400000000, -0.0003994800000000, 0.0001936300000000 ] - [ 0.0000329600000000, -0.0002960400000000, 0.0001373500000000 ] - [ -0.0013716400000000, 0.0003671400000000, -0.0012254600000000 ] - [ 0.0006777000000000, 0.0018787000000000, -0.0002219000000000 ] - [ 0.0000213900000000, -0.0000648700000000, -0.0002382800000000 ] - [ -0.0001218800000000, 0.0007390100000000, -0.0001975000000000 ] - [ 0.0012149900000000, 0.0003517600000000, -0.0007518200000000 ] - [ -0.0000873700000000, 0.0000908400000000, -0.0002158400000000 ] - [ -0.0000194400000000, -0.0001752700000000, 0.0000621000000000 ] - [ -0.0000283700000000, -0.0003055600000000, 0.0004904700000000 ] - [ 0.0000787500000000, -0.0000034700000000, -0.0001501900000000 ] - [ 0.0000266100000000, 0.0000683100000000, 0.0001847200000000 ] - [ -0.0000021500000000, 0.0002967300000000, -0.0004059700000000 ] - [ -0.0001054100000000, -0.0001919200000000, -0.0001412600000000 ] - [ -0.0001091900000000, -0.0000330700000000, 0.0000629800000000 ] - [ 0.0002009500000000, 0.0006424100000000, -0.0000552000000000 ] - [ -0.0002555600000000, -0.0004528000000000, 0.0000354800000000 ] - [ 0.0004011600000000, -0.0007109000000000, -0.0002741200000000 ] - [ -0.0000857400000000, 0.0004210300000000, 0.0000949200000000 ] - [ 0.0001140400000000, -0.0001131200000000, -0.0001283400000000 ] - [ 0.0002171000000000, -0.0007476600000000, 0.0004042000000000 ] - [ -0.0004290800000000, -0.0011841700000000, 0.0005425900000000 ] - [ 0.0000149400000000, -0.0004338500000000, 0.0001389900000000 ] - [ -0.0003749800000000, -0.0008894200000000, -0.0000374000000000 ] - [ 0.0004280000000000, -0.0000357500000000, 0.0002533200000000 ] - [ -0.0004056700000000, -0.0006089200000000, -0.0002340300000000 ] - [ -0.0001446200000000, 0.0027942500000000, -0.0047304500000000 ] - [ -0.0000394600000000, -0.0003060500000000, -0.0007069800000000 ] - [ -0.0084455800000000, 0.1164482400000000, -0.0004763400000000 ] - [ -0.0002868500000000, 0.0004523100000000, 0.0009263600000000 ] - [ 0.0000137100000000, 0.0001414500000000, 0.0000260300000000 ] - [ -0.0008370700000000, -0.0005688500000000, -0.0001319700000000 ] - [ -0.0001811700000000, -0.0004644100000000, -0.0003278700000000 ] - [ -0.0000874400000000, -0.0000624100000000, -0.0003615000000000 ] - [ 0.0002265100000000, -0.0004114800000000, 0.0004772200000000 ] - [ -0.0001789800000000, -0.0001274000000000, -0.0003245500000000 ] - [ -0.0004900400000000, 0.0005316200000000, -0.0000556800000000 ] - [ -0.0002997400000000, 0.0004611400000000, -0.0004205600000000 ] - [ 0.0003146400000000, 0.0001181100000000, 0.0001819800000000 ] - [ 0.0003014700000000, -0.0004608200000000, -0.0000773300000000 ] - [ -0.0001839100000000, 0.0001536200000000, -0.0000238700000000 ] - [ 0.0002271300000000, 0.0001135700000000, 0.0001075500000000 ] - [ -0.0006288100000000, 0.0086463000000000, 0.0024656800000000 ] - [ -0.0003335400000000, 0.0002006500000000, 0.0003232400000000 ] - [ -0.0000473800000000, 0.0005858500000000, 0.0004881300000000 ] - [ -0.0001386600000000, -0.0004558400000000, 0.0002035500000000 ] - [ 0.0001771200000000, -0.0000280200000000, -0.0000863100000000 ] - [ 0.0002630100000000, -0.0004126400000000, -0.0001368300000000 ] - [ 0.0000942800000000, 0.0002617600000000, -0.0000817200000000 ] - [ -0.0001592000000000, -0.0001000200000000, 0.0002455300000000 ] - [ -0.0001579500000000, -0.0003173700000000, -0.0001391400000000 ] - [ 0.0001008300000000, 0.0002275400000000, -0.0000257200000000 ] - [ -0.0000084900000000, -0.0004395100000000, 0.0002808900000000 ] - [ 0.0000431500000000, -0.0002288200000000, 0.0000157900000000 ] - [ 0.0000653800000000, -0.0001488300000000, -0.0001184300000000 ] - [ -0.0002958100000000, -0.0002887200000000, -0.0004928600000000 ] - [ 0.0092359500000000, -0.1371024800000000, 0.0000178400000000 ] - [ 0.0000937100000000, 0.0003404100000000, 0.0000197100000000 ] - [ -0.0000309100000000, 0.0003809800000000, -0.0001659100000000 ] - [ -0.0000613800000000, 0.0004173500000000, 0.0000876300000000 ] - [ -0.0000834600000000, -0.0004479000000000, -0.0003619200000000 ] - [ 0.0002303500000000, 0.0003113400000000, -0.0000989000000000 ] - [ -0.0004550500000000, -0.0003599700000000, -0.0003397600000000 ] - [ 0.0003713900000000, 0.0000624400000000, -0.0001008400000000 ] - [ 0.0002840900000000, 0.0001790200000000, -0.0000296500000000 ] - [ 0.0001250800000000, 0.0003067400000000, -0.0000234500000000 ] - [ 0.0003650000000000, -0.0005433500000000, -0.0003078700000000 ] - [ -0.0003766700000000, 0.0005037600000000, 0.0005608500000000 ] - [ -0.0000637400000000, -0.0027370800000000, 0.0056368500000000 ] - [ 0.0002338400000000, -0.0000073800000000, 0.0001935300000000 ] - [ 0.0001890500000000, 0.0004334200000000, 0.0002931200000000 ] - [ 0.0000215600000000, 0.0001508500000000, -0.0001540800000000 ] - [ -0.0003760500000000, 0.0002070700000000, -0.0004010600000000 ] - [ 0.0002458700000000, -0.0000044000000000, 0.0001190000000000 ] - [ -0.0000054700000000, 0.0004936700000000, 0.0003729100000000 ] - [ 0.0000678300000000, 0.0002932700000000, 0.0000490000000000 ] - [ -0.0001206500000000, 0.0003221300000000, 0.0004902300000000 ] - [ 0.0001737800000000, 0.0001177800000000, 0.0006283700000000 ] - [ 0.0004316500000000, -0.0000805600000000, 0.0000368000000000 ] - [ 0.0001017600000000, -0.0001349300000000, -0.0000628800000000 ] - [ 0.0024390000000000, 0.0049031500000000, 0.0007479700000000 ] - [ -0.0001570300000000, 0.0000645200000000, 0.0002223100000000 ] - [ -0.0005604600000000, -0.0002970300000000, 0.0000447900000000 ] - [ 0.0000363400000000, 0.0001770700000000, 0.0000029200000000 ] - [ 0.0001864100000000, -0.0000779000000000, -0.0003831300000000 ] - [ 0.0000455000000000, -0.0001783800000000, -0.0000125200000000 ] - [ 0.0001509500000000, 0.0000747000000000, -0.0000145200000000 ] - [ -0.0002903400000000, -0.0001008800000000, -0.0002707500000000 ] - [ 0.0002290100000000, -0.0000841700000000, -0.0001952500000000 ] - [ -0.0019375400000000, 0.0048414600000000, 0.0004916900000000 ] - [ -0.0002897700000000, 0.0003485400000000, -0.0003577900000000 ] - [ 0.0000566800000000, 0.0002515500000000, -0.0000078400000000 ] - [ -0.0000515700000000, -0.0000543700000000, -0.0000994300000000 ] - [ 0.0002568200000000, -0.0001545200000000, -0.0002524700000000 ] - [ -0.0002212500000000, 0.0003144300000000, 0.0001215200000000 ] - [ 0.0001001100000000, -0.0000401600000000, -0.0000827800000000 ] - [ 0.0004440400000000, 0.0000970800000000, -0.0000107100000000 ] - [ 0.0000976200000000, 0.0018351400000000, -0.0026434600000000 ] - [ 0.0001487200000000, -0.0000066100000000, 0.0000408600000000 ] - [ -0.0002214400000000, 0.0003815600000000, 0.0001153500000000 ] - [ 0.0000516100000000, 0.0003353600000000, -0.0001450200000000 ] - [ -0.0000989100000000, -0.0001948100000000, 0.0003260800000000 ] - [ 0.0001954300000000, 0.0002555700000000, 0.0003894000000000 ]- atom: 58 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000784700000000, -0.0000321100000000, 0.0001231100000000 ] - [ -0.0000817500000000, 0.0000800700000000, -0.0003345500000000 ] - [ -0.0000682200000000, 0.0000222800000000, 0.0001108400000000 ] - [ 0.0013710200000000, -0.0000734500000000, 0.0011564300000000 ] - [ -0.0008700900000000, -0.0014990800000000, 0.0005014800000000 ] - [ -0.0000308500000000, 0.0002513400000000, -0.0001518700000000 ] - [ 0.0001051600000000, -0.0009082900000000, -0.0002016500000000 ] - [ -0.0013156400000000, -0.0000980700000000, 0.0010482300000000 ] - [ -0.0001222900000000, -0.0004341500000000, 0.0004902200000000 ] - [ -0.0000463800000000, -0.0001510200000000, -0.0001800700000000 ] - [ -0.0000075900000000, 0.0000238800000000, -0.0002308500000000 ] - [ -0.0001430000000000, 0.0003145400000000, 0.0000256400000000 ] - [ -0.0002388900000000, 0.0002669600000000, 0.0000988500000000 ] - [ -0.0000066400000000, -0.0001011500000000, 0.0000002300000000 ] - [ 0.0000969000000000, -0.0000107700000000, -0.0002613400000000 ] - [ 0.0000716200000000, 0.0002969000000000, 0.0001870700000000 ] - [ -0.0000290500000000, -0.0003781700000000, -0.0002992900000000 ] - [ 0.0003457800000000, 0.0007903200000000, 0.0002131300000000 ] - [ -0.0002507300000000, 0.0004581700000000, -0.0000760900000000 ] - [ 0.0001542700000000, -0.0007431800000000, 0.0001509000000000 ] - [ 0.0000586600000000, 0.0003430600000000, -0.0002203800000000 ] - [ -0.0001510400000000, 0.0010410200000000, -0.0001367200000000 ] - [ 0.0005989600000000, 0.0008831000000000, -0.0008624300000000 ] - [ 0.0000548300000000, 0.0000723400000000, 0.0001127000000000 ] - [ -0.0004578400000000, -0.0004987400000000, -0.0001275200000000 ] - [ -0.0009253800000000, -0.0005672200000000, -0.0005170900000000 ] - [ 0.0002595400000000, 0.0003974000000000, -0.0005735600000000 ] - [ 0.0009173500000000, -0.0033527900000000, 0.0051194700000000 ] - [ -0.0001072700000000, 0.0005329900000000, -0.0000808600000000 ] - [ 0.0071173100000000, -0.1088726900000000, 0.0005919400000000 ] - [ -0.0002178100000000, 0.0001369200000000, -0.0012339600000000 ] - [ 0.0007393100000000, 0.0002657600000000, 0.0001247500000000 ] - [ -0.0000139400000000, -0.0008174300000000, -0.0000394300000000 ] - [ -0.0003238400000000, -0.0001549800000000, 0.0000605000000000 ] - [ -0.0000553100000000, -0.0001570100000000, -0.0004381700000000 ] - [ 0.0005277400000000, -0.0000028900000000, -0.0002875600000000 ] - [ 0.0000337700000000, 0.0003252100000000, -0.0004770400000000 ] - [ -0.0003443900000000, 0.0008403600000000, -0.0001171100000000 ] - [ -0.0002072500000000, 0.0001538400000000, 0.0001457500000000 ] - [ 0.0004447100000000, 0.0002772100000000, -0.0000320200000000 ] - [ -0.0001539100000000, 0.0003986400000000, -0.0001867800000000 ] - [ -0.0000170100000000, -0.0000668400000000, -0.0002938400000000 ] - [ 0.0002451800000000, -0.0001900200000000, 0.0002445000000000 ] - [ 0.0006093500000000, -0.0074538900000000, -0.0018200200000000 ] - [ 0.0000310700000000, -0.0001527900000000, 0.0001679200000000 ] - [ -0.0001172500000000, -0.0001247100000000, 0.0002097400000000 ] - [ -0.0002152300000000, -0.0003590900000000, 0.0001341200000000 ] - [ 0.0006735700000000, -0.0002743300000000, 0.0001340900000000 ] - [ -0.0000703700000000, 0.0000199200000000, 0.0000142000000000 ] - [ 0.0000503600000000, -0.0002044600000000, -0.0001893000000000 ] - [ -0.0001557600000000, 0.0000590200000000, 0.0002499200000000 ] - [ -0.0002783900000000, 0.0000941900000000, 0.0001646700000000 ] - [ -0.0000104100000000, -0.0001591900000000, 0.0000248000000000 ] - [ 0.0000091600000000, -0.0004421300000000, 0.0003694900000000 ] - [ -0.0000261000000000, -0.0003012100000000, 0.0000125100000000 ] - [ 0.0002900100000000, 0.0001564200000000, 0.0000260400000000 ] - [ -0.0003004700000000, -0.0000393600000000, 0.0000067500000000 ] - [ -0.0082827900000000, 0.1296988700000000, -0.0004925100000000 ] - [ 0.0001990300000000, 0.0000035000000000, 0.0000341100000000 ] - [ -0.0005835500000000, -0.0000488700000000, -0.0003275000000000 ] - [ 0.0001508800000000, -0.0004913600000000, -0.0000895700000000 ] - [ -0.0001153800000000, 0.0003592000000000, 0.0000480600000000 ] - [ 0.0002330700000000, 0.0001251300000000, -0.0001300300000000 ] - [ 0.0000187900000000, 0.0006159100000000, 0.0003657500000000 ] - [ -0.0000256800000000, -0.0000671500000000, 0.0000145500000000 ] - [ 0.0005800300000000, 0.0001316300000000, 0.0000783600000000 ] - [ 0.0000615900000000, 0.0000848900000000, -0.0000984300000000 ] - [ -0.0000671400000000, 0.0001989100000000, 0.0003473300000000 ] - [ 0.0000207700000000, 0.0003139600000000, -0.0002152200000000 ] - [ 0.0000907500000000, 0.0035059800000000, -0.0058163800000000 ] - [ -0.0003992200000000, -0.0004652500000000, 0.0005119900000000 ] - [ 0.0002832800000000, -0.0003679900000000, 0.0000525900000000 ] - [ 0.0001185900000000, -0.0001943600000000, -0.0001186900000000 ] - [ 0.0001697600000000, -0.0001148000000000, 0.0000927200000000 ] - [ 0.0002242200000000, -0.0000616900000000, 0.0002273800000000 ] - [ 0.0000062800000000, 0.0003875800000000, 0.0002741900000000 ] - [ -0.0003634200000000, -0.0002388900000000, 0.0004348700000000 ] - [ -0.0000414000000000, 0.0001567000000000, 0.0002101700000000 ] - [ -0.0005263200000000, -0.0009266900000000, -0.0002895000000000 ] - [ 0.0004241700000000, -0.0002172700000000, 0.0000078400000000 ] - [ 0.0000842000000000, -0.0002548500000000, -0.0000593400000000 ] - [ -0.0022573200000000, -0.0046361800000000, -0.0010229200000000 ] - [ -0.0001586900000000, -0.0000961300000000, 0.0002721300000000 ] - [ 0.0001119000000000, 0.0000266700000000, -0.0000173200000000 ] - [ 0.0000540900000000, -0.0000938300000000, -0.0000020500000000 ] - [ -0.0001815500000000, -0.0007982300000000, 0.0010083700000000 ] - [ -0.0000292300000000, -0.0003394000000000, 0.0000417400000000 ] - [ 0.0002052600000000, -0.0000570600000000, -0.0000791600000000 ] - [ -0.0003093700000000, -0.0002154000000000, -0.0002193700000000 ] - [ 0.0002320500000000, -0.0003407500000000, -0.0000365800000000 ] - [ 0.0022046800000000, -0.0043235600000000, -0.0004456100000000 ] - [ -0.0003203800000000, -0.0000147400000000, -0.0001365700000000 ] - [ 0.0000337200000000, -0.0003216200000000, 0.0000015100000000 ] - [ -0.0001489300000000, -0.0000344200000000, -0.0002150500000000 ] - [ 0.0002072700000000, 0.0005761000000000, 0.0000202900000000 ] - [ -0.0002109600000000, -0.0000381900000000, -0.0000886700000000 ] - [ 0.0002495400000000, 0.0000277300000000, -0.0000181100000000 ] - [ 0.0004160400000000, 0.0002053900000000, 0.0000482200000000 ] - [ 0.0000885100000000, -0.0014121400000000, 0.0024464300000000 ] - [ 0.0001423700000000, -0.0003245400000000, 0.0000150500000000 ] - [ -0.0001341300000000, 0.0004335800000000, 0.0002194900000000 ] - [ -0.0000358100000000, 0.0002011900000000, 0.0001594300000000 ] - [ -0.0000631400000000, -0.0002678200000000, 0.0003755300000000 ] - [ 0.0002765200000000, -0.0001703800000000, -0.0000400400000000 ]- atom: 58 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0000984800000000, -0.0001468400000000, 0.0001276600000000 ] - [ -0.0000500200000000, -0.0001857700000000, -0.0001064600000000 ] - [ -0.0000263800000000, -0.0001310600000000, 0.0001319300000000 ] - [ 0.0012883900000000, -0.0006099800000000, 0.0008095800000000 ] - [ 0.0002411400000000, 0.0001091900000000, 0.0005167400000000 ] - [ -0.0000137600000000, 0.0001281300000000, -0.0002311500000000 ] - [ -0.0004311500000000, 0.0000109300000000, -0.0000341300000000 ] - [ -0.0034417800000000, -0.0016877100000000, 0.0022012500000000 ] - [ -0.0000898200000000, -0.0002670700000000, 0.0001333700000000 ] - [ 0.0000200600000000, -0.0001862000000000, -0.0000775800000000 ] - [ -0.0000418000000000, 0.0000986400000000, -0.0003271800000000 ] - [ -0.0001353400000000, 0.0001392000000000, 0.0000379400000000 ] - [ -0.0001256300000000, 0.0002595400000000, 0.0001389800000000 ] - [ 0.0000049100000000, 0.0000911200000000, -0.0002736900000000 ] - [ 0.0000139100000000, -0.0000350000000000, -0.0002061400000000 ] - [ 0.0000669600000000, 0.0001170100000000, 0.0001988800000000 ] - [ 0.0003621900000000, 0.0003631200000000, -0.0009556800000000 ] - [ 0.0000253700000000, 0.0002370700000000, 0.0001754200000000 ] - [ 0.0001700900000000, -0.0000051500000000, -0.0001162500000000 ] - [ 0.0003419500000000, -0.0000341000000000, -0.0006594600000000 ] - [ 0.0000512700000000, 0.0001451100000000, -0.0002199900000000 ] - [ -0.0018490800000000, -0.0019472300000000, 0.0022723100000000 ] - [ 0.0014838900000000, -0.0010029800000000, 0.0017323500000000 ] - [ 0.0000463600000000, -0.0001198700000000, 0.0001002300000000 ] - [ -0.0004227300000000, -0.0006780300000000, -0.0000983600000000 ] - [ -0.0007413000000000, -0.0002463500000000, -0.0002829700000000 ] - [ -0.0000052200000000, 0.0000154000000000, -0.0005532900000000 ] - [ -0.0003468100000000, -0.0012263900000000, -0.0003158700000000 ] - [ -0.0000285700000000, -0.0000256800000000, -0.0003759400000000 ] - [ -0.0062468000000000, 0.0035426600000000, 0.0160156700000000 ] - [ -0.0003025700000000, 0.0004705400000000, 0.0002772900000000 ] - [ 0.0001016800000000, 0.0004013900000000, -0.0001282900000000 ] - [ -0.0002987100000000, -0.0007022200000000, -0.0001841600000000 ] - [ -0.0002806800000000, -0.0002696500000000, -0.0001113200000000 ] - [ -0.0000006500000000, -0.0001739400000000, -0.0004490100000000 ] - [ 0.0005104000000000, -0.0003203300000000, 0.0007230600000000 ] - [ 0.0002271400000000, 0.0004451800000000, 0.0001041300000000 ] - [ -0.0003950600000000, 0.0007567900000000, -0.0000567100000000 ] - [ -0.0000216700000000, 0.0001926300000000, 0.0004731700000000 ] - [ 0.0004319300000000, 0.0002089900000000, 0.0000399400000000 ] - [ 0.0000940000000000, -0.0000131600000000, 0.0000837100000000 ] - [ -0.0001397100000000, 0.0000134100000000, -0.0001683700000000 ] - [ 0.0002536800000000, -0.0000996400000000, 0.0003240800000000 ] - [ 0.0004599800000000, -0.0030163600000000, -0.0048173900000000 ] - [ -0.0000545500000000, -0.0001159600000000, 0.0002863100000000 ] - [ -0.0001319800000000, 0.0001973600000000, 0.0002867200000000 ] - [ -0.0002064600000000, -0.0003649300000000, 0.0001312200000000 ] - [ 0.0007037700000000, -0.0004687500000000, -0.0003131700000000 ] - [ -0.0003254400000000, -0.0001694500000000, 0.0006916200000000 ] - [ 0.0000652200000000, -0.0000122800000000, -0.0001525400000000 ] - [ -0.0001796300000000, -0.0000633500000000, 0.0004080800000000 ] - [ -0.0001825200000000, -0.0003976100000000, -0.0000517000000000 ] - [ 0.0000356200000000, 0.0000752700000000, 0.0001132700000000 ] - [ 0.0000005200000000, -0.0004392700000000, 0.0003191800000000 ] - [ 0.0001372700000000, -0.0002009700000000, 0.0002404900000000 ] - [ 0.0001943700000000, 0.0000005700000000, 0.0001272000000000 ] - [ -0.0000474400000000, -0.0003913100000000, -0.0003090000000000 ] - [ 0.0080652600000000, -0.0025493600000000, -0.0174969200000000 ] - [ 0.0001360500000000, 0.0001317500000000, 0.0000227800000000 ] - [ -0.0003716400000000, 0.0001874100000000, -0.0003287000000000 ] - [ -0.0001831500000000, 0.0000971600000000, -0.0001110400000000 ] - [ -0.0000934900000000, -0.0003708800000000, -0.0000055000000000 ] - [ 0.0002262500000000, 0.0001997400000000, -0.0001253000000000 ] - [ -0.0000198900000000, 0.0003468200000000, 0.0003775500000000 ] - [ 0.0002009100000000, 0.0000413700000000, -0.0000968200000000 ] - [ 0.0004322800000000, 0.0001385800000000, -0.0000148200000000 ] - [ 0.0000981700000000, 0.0001875000000000, -0.0000653200000000 ] - [ -0.0001600800000000, 0.0000585300000000, 0.0002804100000000 ] - [ -0.0004301600000000, 0.0004888000000000, 0.0007332600000000 ] - [ 0.0007787200000000, 0.0034162400000000, 0.0026050100000000 ] - [ -0.0002596200000000, -0.0001882000000000, 0.0005408400000000 ] - [ 0.0002510500000000, 0.0000202300000000, 0.0001399400000000 ] - [ 0.0000858200000000, -0.0000593000000000, -0.0001294700000000 ] - [ -0.0000132800000000, 0.0000467900000000, -0.0003607100000000 ] - [ 0.0002253200000000, -0.0000251100000000, 0.0002122500000000 ] - [ -0.0000117100000000, 0.0004400500000000, 0.0003305200000000 ] - [ 0.0000564700000000, 0.0003486500000000, 0.0000809800000000 ] - [ -0.0004152300000000, -0.0001624400000000, 0.0000053100000000 ] - [ -0.0002092300000000, -0.0004310000000000, -0.0001274300000000 ] - [ 0.0004341900000000, -0.0001652100000000, 0.0000283200000000 ] - [ 0.0000856500000000, -0.0002013500000000, -0.0000565500000000 ] - [ 0.0014204400000000, 0.0028381100000000, -0.0020684800000000 ] - [ -0.0001535700000000, -0.0000473200000000, 0.0002801300000000 ] - [ -0.0006478700000000, -0.0000467500000000, -0.0002306000000000 ] - [ 0.0000688800000000, 0.0000571600000000, 0.0000312000000000 ] - [ 0.0000052900000000, -0.0008102800000000, 0.0000630500000000 ] - [ -0.0000247700000000, -0.0002779500000000, 0.0000317900000000 ] - [ 0.0001789000000000, -0.0000146700000000, -0.0000340200000000 ] - [ -0.0003078500000000, -0.0001711700000000, -0.0002222000000000 ] - [ 0.0002298000000000, -0.0002897300000000, -0.0001203300000000 ] - [ -0.0004442200000000, 0.0072199000000000, -0.0019313300000000 ] - [ -0.0008274300000000, 0.0006872000000000, -0.0003546100000000 ] - [ -0.0000448100000000, -0.0000371100000000, 0.0000153400000000 ] - [ -0.0001863800000000, -0.0000607900000000, -0.0001932000000000 ] - [ 0.0002090900000000, 0.0003520000000000, 0.0000450200000000 ] - [ -0.0002147800000000, 0.0000901600000000, -0.0000059100000000 ] - [ 0.0000106900000000, 0.0002812800000000, -0.0005676600000000 ] - [ 0.0001698500000000, 0.0002880100000000, -0.0003804600000000 ] - [ 0.0004138100000000, -0.0038507700000000, 0.0015624100000000 ] - [ 0.0001458500000000, -0.0002023100000000, 0.0000250800000000 ] - [ -0.0001511400000000, 0.0004285600000000, 0.0002089100000000 ] - [ -0.0000210100000000, 0.0004326200000000, -0.0002092600000000 ] - [ -0.0000787200000000, -0.0002115800000000, 0.0004065500000000 ] - [ 0.0006709900000000, -0.0009159700000000, -0.0004360100000000 ]- atom: 58 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0001125300000000, -0.0001998600000000, 0.0001587200000000 ] - [ -0.0000163000000000, -0.0001376000000000, -0.0000143200000000 ] - [ -0.0000095200000000, -0.0001442800000000, 0.0001201000000000 ] - [ -0.0013481500000000, 0.0009257500000000, -0.0009502100000000 ] - [ -0.0004230600000000, 0.0002522500000000, -0.0002461300000000 ] - [ 0.0000045700000000, 0.0000633200000000, -0.0001688400000000 ] - [ 0.0004182500000000, -0.0002026300000000, -0.0003683800000000 ] - [ 0.0033171000000000, 0.0018936100000000, -0.0019256300000000 ] - [ -0.0001210800000000, -0.0000790500000000, 0.0001562000000000 ] - [ -0.0000861000000000, -0.0001343500000000, -0.0000454500000000 ] - [ 0.0000054700000000, -0.0003729000000000, 0.0005806300000000 ] - [ 0.0000694600000000, 0.0001834200000000, -0.0001614600000000 ] - [ -0.0000837700000000, 0.0000880700000000, 0.0001485000000000 ] - [ -0.0000152000000000, 0.0001008400000000, -0.0001235200000000 ] - [ -0.0000245100000000, -0.0001554100000000, -0.0001906600000000 ] - [ -0.0001035700000000, 0.0001590800000000, 0.0000520000000000 ] - [ -0.0001908400000000, -0.0001194900000000, 0.0006055100000000 ] - [ 0.0000391400000000, 0.0001060300000000, 0.0000736500000000 ] - [ 0.0000058700000000, -0.0002411700000000, -0.0002368700000000 ] - [ -0.0002704100000000, -0.0003152500000000, 0.0009073200000000 ] - [ 0.0001203000000000, 0.0001026500000000, -0.0001307700000000 ] - [ 0.0019254500000000, 0.0023056800000000, -0.0020412500000000 ] - [ -0.0013180100000000, 0.0007745300000000, -0.0021061500000000 ] - [ 0.0000231800000000, -0.0002246200000000, 0.0001491000000000 ] - [ -0.0004119300000000, -0.0007072200000000, -0.0000690500000000 ] - [ 0.0002371200000000, -0.0003671500000000, 0.0000235200000000 ] - [ -0.0001406800000000, -0.0002306400000000, -0.0002493000000000 ] - [ 0.0011165900000000, 0.0008312100000000, 0.0004078000000000 ] - [ -0.0001148800000000, 0.0002341400000000, -0.0004280400000000 ] - [ 0.0054548500000000, -0.0025748500000000, -0.0161690800000000 ] - [ -0.0002042100000000, 0.0001349000000000, -0.0005231800000000 ] - [ 0.0006578700000000, 0.0000009500000000, 0.0002772300000000 ] - [ -0.0005285000000000, -0.0006793400000000, 0.0000188800000000 ] - [ -0.0002247900000000, -0.0003429500000000, -0.0001532600000000 ] - [ -0.0001433100000000, -0.0000377500000000, -0.0003530000000000 ] - [ 0.0002526900000000, -0.0000817900000000, -0.0005780800000000 ] - [ -0.0003730400000000, -0.0002324100000000, -0.0009120500000000 ] - [ -0.0004401500000000, 0.0006303200000000, -0.0001095500000000 ] - [ -0.0004819900000000, 0.0004263600000000, -0.0007460700000000 ] - [ 0.0003281700000000, 0.0001961600000000, 0.0001128700000000 ] - [ 0.0000445000000000, -0.0000364900000000, -0.0003566500000000 ] - [ -0.0000622700000000, 0.0000721000000000, -0.0001463100000000 ] - [ 0.0002185200000000, 0.0000297200000000, 0.0000243500000000 ] - [ -0.0004438400000000, 0.0038299400000000, 0.0054214300000000 ] - [ -0.0002597200000000, 0.0001574400000000, 0.0002023900000000 ] - [ -0.0000308700000000, 0.0002717500000000, 0.0004165600000000 ] - [ -0.0001467200000000, -0.0004477900000000, 0.0002045300000000 ] - [ 0.0001492200000000, 0.0001641900000000, 0.0003525000000000 ] - [ 0.0005037500000000, -0.0002218000000000, -0.0008061900000000 ] - [ 0.0000745100000000, 0.0000625700000000, -0.0001186600000000 ] - [ -0.0001361100000000, 0.0000277400000000, 0.0000850500000000 ] - [ -0.0002491900000000, 0.0001082700000000, 0.0000830800000000 ] - [ 0.0000552700000000, 0.0000014600000000, -0.0001143300000000 ] - [ -0.0000002700000000, -0.0004435200000000, 0.0003273400000000 ] - [ -0.0001221800000000, -0.0003227600000000, -0.0002133600000000 ] - [ 0.0001628300000000, 0.0000132200000000, -0.0002179600000000 ] - [ -0.0005502100000000, 0.0000747200000000, -0.0001792000000000 ] - [ -0.0075441900000000, 0.0027116700000000, 0.0173048500000000 ] - [ 0.0001553200000000, 0.0002043300000000, 0.0000330700000000 ] - [ -0.0002252400000000, 0.0001317200000000, -0.0001605400000000 ] - [ 0.0002738000000000, -0.0001694800000000, 0.0001106300000000 ] - [ -0.0001071200000000, 0.0002851300000000, -0.0003098200000000 ] - [ 0.0002366800000000, 0.0002303200000000, -0.0001052000000000 ] - [ -0.0004116500000000, -0.0000771400000000, -0.0003450000000000 ] - [ 0.0001596100000000, -0.0000529700000000, 0.0000026100000000 ] - [ 0.0004187200000000, 0.0001634000000000, 0.0000575300000000 ] - [ 0.0000881800000000, 0.0002023700000000, -0.0000540300000000 ] - [ 0.0004476800000000, -0.0003945200000000, -0.0002122200000000 ] - [ 0.0000792600000000, 0.0003231400000000, -0.0003984400000000 ] - [ -0.0007974600000000, -0.0029429100000000, -0.0025004600000000 ] - [ 0.0000979100000000, -0.0002776600000000, 0.0001586000000000 ] - [ 0.0002213300000000, 0.0000521600000000, 0.0002089500000000 ] - [ 0.0000542100000000, 0.0000079800000000, -0.0001418800000000 ] - [ -0.0001845700000000, 0.0000347000000000, 0.0000444300000000 ] - [ 0.0002466400000000, -0.0000468900000000, 0.0001365600000000 ] - [ 0.0000120800000000, 0.0004430000000000, 0.0003168400000000 ] - [ -0.0003771800000000, -0.0003175700000000, 0.0004164400000000 ] - [ 0.0002562000000000, 0.0006291500000000, 0.0007005400000000 ] - [ -0.0001467900000000, -0.0003854200000000, 0.0004665600000000 ] - [ 0.0004207300000000, -0.0001375500000000, 0.0000173700000000 ] - [ 0.0001008600000000, -0.0001884800000000, -0.0000630700000000 ] - [ -0.0012959500000000, -0.0028368800000000, 0.0017819500000000 ] - [ -0.0001620700000000, 0.0000104600000000, 0.0002127500000000 ] - [ 0.0002214300000000, -0.0002248500000000, 0.0002656800000000 ] - [ 0.0000214700000000, 0.0000154900000000, -0.0000326900000000 ] - [ -0.0000066300000000, -0.0000756200000000, 0.0005876600000000 ] - [ 0.0000406800000000, -0.0002470200000000, -0.0000048000000000 ] - [ 0.0001785000000000, 0.0000269500000000, -0.0000574100000000 ] - [ -0.0002919100000000, -0.0001490900000000, -0.0002688000000000 ] - [ 0.0002334900000000, -0.0001412500000000, -0.0001100600000000 ] - [ 0.0007240300000000, -0.0068972000000000, 0.0019704000000000 ] - [ 0.0002272200000000, -0.0003694700000000, -0.0001325200000000 ] - [ 0.0001360800000000, -0.0000357300000000, -0.0000139700000000 ] - [ -0.0000149400000000, -0.0000246300000000, -0.0001215900000000 ] - [ 0.0002534400000000, 0.0000784500000000, -0.0002757500000000 ] - [ -0.0002181100000000, 0.0001765000000000, 0.0000365700000000 ] - [ 0.0003422200000000, -0.0002957500000000, 0.0004761500000000 ] - [ 0.0006866700000000, 0.0000113000000000, 0.0004288500000000 ] - [ -0.0002363900000000, 0.0043097200000000, -0.0016665000000000 ] - [ 0.0001464500000000, -0.0001348100000000, 0.0000308300000000 ] - [ -0.0002027400000000, 0.0003840000000000, 0.0001264900000000 ] - [ 0.0000362600000000, 0.0000882000000000, 0.0002403700000000 ] - [ -0.0000846300000000, -0.0002568500000000, 0.0002957100000000 ] - [ -0.0002063400000000, 0.0009902800000000, 0.0007900000000000 ]- atom: 59 displacement: [ 0.0099999486296969, 0.0000000000000000, 0.0000320531343871 ] forces: - [ -0.0000417600000000, -0.0001942000000000, -0.0001739800000000 ] - [ -0.0001855400000000, -0.0001432200000000, -0.0000627300000000 ] - [ -0.0000171000000000, -0.0002041700000000, 0.0002626800000000 ] - [ 0.0001256800000000, 0.0003506600000000, -0.0001363800000000 ] - [ -0.0000785200000000, 0.0001564800000000, 0.0001640700000000 ] - [ -0.0003886400000000, -0.0001062600000000, -0.0003480600000000 ] - [ -0.0000239700000000, -0.0001084800000000, -0.0001708600000000 ] - [ -0.0001100100000000, 0.0001134400000000, 0.0001003900000000 ] - [ -0.0001129000000000, -0.0001732000000000, 0.0001253800000000 ] - [ -0.0000526900000000, -0.0001744800000000, -0.0000338000000000 ] - [ -0.0000096100000000, -0.0001583400000000, 0.0001561700000000 ] - [ -0.0000150900000000, 0.0002737800000000, -0.0001381700000000 ] - [ 0.0001561400000000, 0.0006836000000000, 0.0008141800000000 ] - [ -0.0000019200000000, 0.0000934000000000, -0.0002170100000000 ] - [ 0.0002427100000000, 0.0004901900000000, 0.0014008200000000 ] - [ -0.0000037300000000, -0.0001241300000000, 0.0001441300000000 ] - [ 0.0001049200000000, 0.0002134700000000, -0.0001482600000000 ] - [ 0.0035400600000000, 0.0087368100000000, -0.0034646800000000 ] - [ -0.0001387500000000, -0.0017684000000000, -0.0002135700000000 ] - [ 0.0000335900000000, -0.0001631900000000, 0.0001053100000000 ] - [ 0.0003867000000000, -0.0002657300000000, -0.0001902700000000 ] - [ 0.0000545600000000, 0.0002196000000000, 0.0001090300000000 ] - [ 0.0000759800000000, -0.0000810100000000, -0.0001965500000000 ] - [ -0.0003102700000000, 0.0001073900000000, 0.0002959900000000 ] - [ -0.0032743200000000, 0.0000907900000000, -0.0001491900000000 ] - [ -0.0001947700000000, -0.0002969400000000, -0.0001735300000000 ] - [ -0.0002529400000000, -0.0000897900000000, -0.0004037400000000 ] - [ -0.0016133300000000, -0.0004596900000000, -0.0015067100000000 ] - [ 0.0000847100000000, 0.0001389200000000, -0.0000891600000000 ] - [ -0.0004068800000000, 0.0007361700000000, -0.0000567700000000 ] - [ -0.0022425800000000, -0.0060513600000000, 0.0042952700000000 ] - [ 0.0003210100000000, 0.0002876800000000, 0.0001867200000000 ] - [ -0.0004308600000000, -0.0006986100000000, -0.0000859400000000 ] - [ -0.0001798900000000, -0.0005245600000000, -0.0002826900000000 ] - [ -0.0000439400000000, -0.0001868900000000, -0.0003534400000000 ] - [ 0.0003689600000000, -0.0002072700000000, 0.0001260900000000 ] - [ -0.0000194500000000, 0.0002199100000000, -0.0003861300000000 ] - [ 0.0807049000000000, -0.0179872400000000, -0.0242669300000000 ] - [ -0.0002631500000000, 0.0002866200000000, -0.0001627900000000 ] - [ 0.0004931600000000, 0.0001845900000000, 0.0000105000000000 ] - [ 0.0000647500000000, -0.0000389700000000, -0.0001309000000000 ] - [ 0.0000523000000000, 0.0002910700000000, 0.0000437100000000 ] - [ 0.0002828900000000, -0.0000496900000000, 0.0001514800000000 ] - [ 0.0000022100000000, 0.0004377200000000, 0.0003247000000000 ] - [ 0.0006327500000000, 0.0004961800000000, 0.0004457000000000 ] - [ -0.0001679700000000, 0.0002690300000000, 0.0003558500000000 ] - [ -0.0001669300000000, 0.0005307400000000, 0.0007604500000000 ] - [ 0.0004166800000000, -0.0001715200000000, 0.0000140700000000 ] - [ 0.0001009600000000, -0.0001990200000000, -0.0000484800000000 ] - [ 0.0050489900000000, -0.0002605500000000, -0.0009108300000000 ] - [ -0.0001549900000000, -0.0000259600000000, 0.0002187400000000 ] - [ 0.0000338300000000, 0.0018570200000000, -0.0032344800000000 ] - [ 0.0000421600000000, -0.0000005900000000, 0.0000596300000000 ] - [ 0.0037414800000000, -0.0010953100000000, 0.0040732900000000 ] - [ 0.0000609100000000, -0.0003689000000000, -0.0000426800000000 ] - [ 0.0001540600000000, 0.0000048500000000, -0.0000308500000000 ] - [ -0.0003244600000000, -0.0001824100000000, -0.0002680600000000 ] - [ 0.0002234800000000, -0.0002675400000000, -0.0001282300000000 ] - [ -0.0993643100000000, 0.0186176100000000, 0.0302973300000000 ] - [ 0.0028417100000000, -0.0026199900000000, -0.0004356800000000 ] - [ -0.0000192700000000, -0.0000081600000000, -0.0002295300000000 ] - [ 0.0000060300000000, -0.0000270000000000, -0.0001745600000000 ] - [ 0.0003956800000000, 0.0000023700000000, -0.0003768800000000 ] - [ -0.0002282400000000, 0.0001115800000000, 0.0000273100000000 ] - [ 0.0033571600000000, -0.0012270100000000, 0.0017551000000000 ] - [ 0.0006124600000000, 0.0016290200000000, -0.0010752400000000 ] - [ 0.0006037000000000, -0.0005732500000000, -0.0011271000000000 ] - [ 0.0001524200000000, -0.0001674600000000, 0.0000272200000000 ] - [ -0.0001871400000000, 0.0004126900000000, 0.0001617700000000 ] - [ 0.0003215300000000, 0.0004811600000000, 0.0003620900000000 ] - [ -0.0000220800000000, -0.0002700900000000, 0.0003361100000000 ] - [ 0.0000094200000000, 0.0003031300000000, 0.0000986100000000 ] - [ -0.0005428500000000, 0.0003827000000000, -0.0017739000000000 ] - [ -0.0001079600000000, 0.0000243800000000, -0.0002207200000000 ] - [ 0.0002589800000000, 0.0001080000000000, 0.0001407500000000 ] - [ 0.0045896300000000, 0.0009223000000000, -0.0035196700000000 ] - [ -0.0001487300000000, 0.0000249100000000, 0.0002637200000000 ] - [ -0.0000159800000000, 0.0001078200000000, 0.0003629900000000 ] - [ -0.0001815800000000, -0.0004581800000000, 0.0002024800000000 ] - [ 0.0003019300000000, -0.0000705000000000, 0.0001035400000000 ] - [ 0.0001562200000000, -0.0003983100000000, -0.0004365400000000 ] - [ 0.0000818300000000, 0.0000243700000000, -0.0001453900000000 ] - [ -0.0001823800000000, 0.0000252300000000, 0.0003757600000000 ] - [ -0.0002162000000000, -0.0000787700000000, 0.0000496600000000 ] - [ 0.0000319600000000, 0.0000634000000000, -0.0000017100000000 ] - [ 0.0000149400000000, -0.0004497500000000, 0.0003128900000000 ] - [ -0.0000135800000000, -0.0002449200000000, 0.0000490400000000 ] - [ 0.0000488000000000, -0.0000250200000000, 0.0000214500000000 ] - [ -0.0004053200000000, -0.0001594700000000, -0.0001214600000000 ] - [ 0.0006892600000000, -0.0023367400000000, -0.0006259400000000 ] - [ 0.0001406700000000, 0.0001751100000000, 0.0000284500000000 ] - [ -0.0003150100000000, 0.0001608800000000, -0.0002384200000000 ] - [ 0.0001091700000000, 0.0001638600000000, -0.0000671400000000 ] - [ -0.0000229300000000, 0.0000529200000000, -0.0002189700000000 ] - [ 0.0002338800000000, 0.0002114600000000, -0.0001148200000000 ] - [ -0.0001193100000000, 0.0002263200000000, 0.0001845200000000 ] - [ 0.0001660500000000, -0.0000141000000000, -0.0000438900000000 ] - [ 0.0004468100000000, 0.0001341500000000, 0.0000257200000000 ] - [ 0.0000849300000000, 0.0001820400000000, -0.0000657500000000 ] - [ 0.0002214700000000, -0.0003583100000000, -0.0012891500000000 ] - [ -0.0002197100000000, 0.0003353500000000, 0.0000063800000000 ] - [ 0.0000081300000000, 0.0003772900000000, 0.0000416000000000 ] - [ -0.0001221900000000, -0.0001456100000000, 0.0003305300000000 ] - [ 0.0002263700000000, -0.0000699400000000, 0.0001989000000000 ]- atom: 59 displacement: [ -0.0099999486296969, 0.0000000000000000, -0.0000320531343871 ] forces: - [ -0.0001678000000000, -0.0001583400000000, 0.0004541500000000 ] - [ 0.0001196500000000, -0.0001743000000000, -0.0000643900000000 ] - [ -0.0000194600000000, -0.0000703200000000, -0.0000112900000000 ] - [ -0.0001909200000000, -0.0000269100000000, 0.0000141400000000 ] - [ -0.0001317600000000, 0.0001914200000000, 0.0001226500000000 ] - [ 0.0003841000000000, 0.0002943200000000, -0.0000409900000000 ] - [ 0.0000137300000000, -0.0000816300000000, -0.0002270200000000 ] - [ 0.0000737900000000, 0.0001629600000000, 0.0001518400000000 ] - [ -0.0000972200000000, -0.0001721000000000, 0.0001609900000000 ] - [ -0.0000126700000000, -0.0001453200000000, -0.0000880000000000 ] - [ -0.0000273200000000, -0.0001149700000000, 0.0000947300000000 ] - [ -0.0000598200000000, 0.0000534600000000, 0.0000088500000000 ] - [ -0.0004005700000000, -0.0003463500000000, -0.0005281700000000 ] - [ -0.0000082300000000, 0.0000996700000000, -0.0001823200000000 ] - [ -0.0002391300000000, -0.0007038200000000, -0.0018315900000000 ] - [ -0.0000259600000000, 0.0004034400000000, 0.0001044500000000 ] - [ 0.0000672500000000, 0.0000354100000000, -0.0002034400000000 ] - [ -0.0034982700000000, -0.0083695800000000, 0.0037007000000000 ] - [ 0.0002852600000000, 0.0014624500000000, -0.0001049900000000 ] - [ 0.0000354300000000, -0.0001801800000000, 0.0001434100000000 ] - [ -0.0002149200000000, 0.0005070400000000, -0.0001652400000000 ] - [ 0.0000113800000000, 0.0001273400000000, 0.0001417000000000 ] - [ 0.0000994400000000, -0.0001618700000000, -0.0001535200000000 ] - [ 0.0003814600000000, -0.0004502100000000, -0.0000445100000000 ] - [ 0.0024340500000000, -0.0014675400000000, -0.0000305200000000 ] - [ -0.0003107000000000, -0.0003134300000000, -0.0000896600000000 ] - [ 0.0001097100000000, -0.0001218500000000, -0.0003988100000000 ] - [ 0.0023656600000000, 0.0000748800000000, 0.0016784100000000 ] - [ -0.0002318800000000, 0.0000749300000000, -0.0007099500000000 ] - [ -0.0004281100000000, 0.0006496200000000, -0.0001099700000000 ] - [ 0.0017399600000000, 0.0068286300000000, -0.0046686800000000 ] - [ 0.0004382800000000, 0.0001174100000000, -0.0000353100000000 ] - [ -0.0004037600000000, -0.0006836200000000, -0.0000819200000000 ] - [ -0.0003348000000000, -0.0000922100000000, 0.0000133300000000 ] - [ -0.0000968400000000, -0.0000259700000000, -0.0004487100000000 ] - [ 0.0003870500000000, -0.0001882900000000, 0.0000057000000000 ] - [ -0.0001251800000000, -0.0000126900000000, -0.0004192600000000 ] - [ -0.0778973800000000, 0.0181050000000000, 0.0229003500000000 ] - [ -0.0002423200000000, 0.0003278200000000, -0.0000948400000000 ] - [ 0.0002726300000000, 0.0002196700000000, 0.0001429700000000 ] - [ 0.0000763900000000, -0.0000132600000000, -0.0001396800000000 ] - [ -0.0002693600000000, -0.0001990700000000, -0.0003573000000000 ] - [ 0.0001877500000000, -0.0000226300000000, 0.0001974600000000 ] - [ -0.0000018400000000, 0.0004437500000000, 0.0003211800000000 ] - [ -0.0009318900000000, -0.0004602500000000, 0.0000427400000000 ] - [ 0.0000114700000000, 0.0001980300000000, 0.0003468100000000 ] - [ -0.0001877700000000, -0.0013629900000000, -0.0004189100000000 ] - [ 0.0004378200000000, -0.0001310400000000, 0.0000304800000000 ] - [ 0.0000852000000000, -0.0001927300000000, -0.0000715300000000 ] - [ -0.0046201800000000, 0.0003565700000000, 0.0006353900000000 ] - [ -0.0001607700000000, -0.0000110000000000, 0.0002754300000000 ] - [ -0.0003748300000000, -0.0021910800000000, 0.0033462700000000 ] - [ 0.0000482400000000, 0.0000732700000000, -0.0000578100000000 ] - [ -0.0037812500000000, 0.0001851800000000, -0.0033985400000000 ] - [ -0.0000451400000000, -0.0001585000000000, 0.0000698200000000 ] - [ 0.0002030900000000, 0.0000079500000000, -0.0000615300000000 ] - [ -0.0002750200000000, -0.0001385900000000, -0.0002215400000000 ] - [ 0.0002403600000000, -0.0001617800000000, -0.0001020200000000 ] - [ 0.0955690700000000, -0.0168881500000000, -0.0288514400000000 ] - [ -0.0034518500000000, 0.0029479600000000, -0.0000520900000000 ] - [ 0.0001121800000000, -0.0000659500000000, 0.0002248700000000 ] - [ -0.0002079200000000, -0.0000583700000000, -0.0001417600000000 ] - [ 0.0000682600000000, 0.0004323800000000, 0.0001507800000000 ] - [ -0.0002049800000000, 0.0001553000000000, 0.0000029700000000 ] - [ -0.0030090200000000, 0.0011958800000000, -0.0018469900000000 ] - [ 0.0002805700000000, -0.0013656100000000, 0.0011401800000000 ] - [ -0.0004471400000000, 0.0009391900000000, 0.0010178500000000 ] - [ 0.0001384500000000, -0.0001702000000000, 0.0000285000000000 ] - [ -0.0001666600000000, 0.0004020800000000, 0.0001755700000000 ] - [ -0.0003062200000000, 0.0000308700000000, -0.0003393700000000 ] - [ -0.0001408100000000, -0.0001989300000000, 0.0003661000000000 ] - [ 0.0004582300000000, -0.0002254500000000, 0.0002526600000000 ] - [ 0.0006819900000000, -0.0004291300000000, 0.0015015700000000 ] - [ -0.0000932400000000, 0.0000630300000000, -0.0000910300000000 ] - [ 0.0002115400000000, -0.0001802000000000, 0.0002076000000000 ] - [ -0.0045011200000000, -0.0000642100000000, 0.0040778600000000 ] - [ -0.0001703800000000, 0.0000073000000000, 0.0002323300000000 ] - [ -0.0001463600000000, 0.0003649500000000, 0.0003386200000000 ] - [ -0.0001720900000000, -0.0003543900000000, 0.0001314200000000 ] - [ 0.0005524600000000, -0.0002280100000000, -0.0000576100000000 ] - [ 0.0000312500000000, 0.0000177800000000, 0.0003118800000000 ] - [ 0.0000577300000000, 0.0000233000000000, -0.0001251300000000 ] - [ -0.0001334900000000, -0.0000608100000000, 0.0001195400000000 ] - [ -0.0002165200000000, -0.0001983400000000, -0.0000174900000000 ] - [ 0.0000577000000000, 0.0000101300000000, 0.0000010300000000 ] - [ -0.0000148200000000, -0.0004318300000000, 0.0003341600000000 ] - [ 0.0000281200000000, -0.0002807800000000, -0.0000226400000000 ] - [ 0.0003079400000000, 0.0000384400000000, -0.0001161900000000 ] - [ -0.0001954900000000, -0.0001597600000000, -0.0003682100000000 ] - [ -0.0001251200000000, 0.0018023600000000, 0.0003409700000000 ] - [ 0.0001503600000000, 0.0001584500000000, 0.0000273100000000 ] - [ -0.0002823300000000, 0.0001559000000000, -0.0002505900000000 ] - [ -0.0000182400000000, -0.0002457500000000, 0.0000670300000000 ] - [ -0.0001790300000000, -0.0001379100000000, -0.0000957500000000 ] - [ 0.0002287900000000, 0.0002176100000000, -0.0001162300000000 ] - [ -0.0003098500000000, 0.0000466800000000, -0.0001504600000000 ] - [ 0.0001931600000000, -0.0000001600000000, -0.0000505400000000 ] - [ 0.0004057500000000, 0.0001665900000000, 0.0000176500000000 ] - [ 0.0001009600000000, 0.0002088900000000, -0.0000540500000000 ] - [ 0.0000841200000000, 0.0000252700000000, 0.0012891600000000 ] - [ -0.0001337500000000, 0.0004791000000000, 0.0003297700000000 ] - [ 0.0000076400000000, 0.0001379600000000, -0.0000021300000000 ] - [ -0.0000415900000000, -0.0003245000000000, 0.0003713000000000 ] - [ 0.0002456400000000, 0.0001452700000000, 0.0001490000000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000894900000000, 0.0001621600000000, -0.0000860300000000 ] - [ 0.0000633800000000, -0.0002702100000000, 0.0001073900000000 ] - [ 0.0000016400000000, -0.0002547800000000, 0.0002707700000000 ] - [ 0.0000548000000000, -0.0001097600000000, -0.0000729000000000 ] - [ -0.0000687200000000, -0.0000383800000000, 0.0001116400000000 ] - [ -0.0000908000000000, 0.0003355200000000, -0.0003301300000000 ] - [ -0.0000381800000000, -0.0003046100000000, -0.0002430400000000 ] - [ -0.0002113200000000, -0.0001047200000000, 0.0001031500000000 ] - [ -0.0001481000000000, -0.0003147400000000, 0.0001991800000000 ] - [ -0.0000926100000000, -0.0002383200000000, -0.0001861800000000 ] - [ 0.0000348700000000, -0.0002085400000000, 0.0000907600000000 ] - [ 0.0004202100000000, -0.0001188700000000, 0.0005610900000000 ] - [ 0.0001880400000000, 0.0009896600000000, 0.0001194500000000 ] - [ 0.0000221500000000, -0.0000686200000000, -0.0000950800000000 ] - [ 0.0004441100000000, 0.0011745300000000, 0.0015898300000000 ] - [ -0.0002772900000000, -0.0004948200000000, 0.0004607700000000 ] - [ 0.0000924000000000, -0.0002474500000000, -0.0001278400000000 ] - [ 0.0036418100000000, 0.0248159200000000, -0.0084032000000000 ] - [ -0.0005372400000000, 0.0002759000000000, 0.0000473800000000 ] - [ 0.0000443000000000, -0.0005756300000000, 0.0001475800000000 ] - [ 0.0006559100000000, 0.0004770500000000, -0.0000029600000000 ] - [ 0.0001913500000000, -0.0002483500000000, 0.0000826800000000 ] - [ -0.0001212800000000, -0.0005066900000000, -0.0002277800000000 ] - [ -0.0005359400000000, 0.0002433100000000, 0.0002387600000000 ] - [ -0.0005393300000000, -0.0005634100000000, 0.0005680600000000 ] - [ -0.0001886800000000, -0.0005013600000000, -0.0003196000000000 ] - [ -0.0001453600000000, -0.0001537500000000, -0.0003531200000000 ] - [ 0.0009119000000000, -0.0006102800000000, 0.0010097600000000 ] - [ -0.0000218800000000, -0.0000005400000000, 0.0002603400000000 ] - [ -0.0004605500000000, 0.0004325100000000, -0.0001717500000000 ] - [ 0.0002181200000000, 0.0006376000000000, -0.0009832800000000 ] - [ 0.0003450200000000, 0.0000073300000000, 0.0001263800000000 ] - [ -0.0003646600000000, -0.0008681400000000, -0.0000302600000000 ] - [ -0.0000925300000000, -0.0000410900000000, 0.0000795700000000 ] - [ -0.0001290500000000, -0.0002930400000000, -0.0004248000000000 ] - [ 0.0007482500000000, -0.0009503100000000, 0.0014224300000000 ] - [ -0.0000018200000000, -0.0001043000000000, -0.0003557100000000 ] - [ -0.0123905900000000, 0.0214891800000000, 0.0035734400000000 ] - [ -0.0002308400000000, -0.0000213400000000, -0.0003456100000000 ] - [ 0.0002542600000000, 0.0002232000000000, -0.0000883900000000 ] - [ 0.0000342700000000, 0.0001770400000000, -0.0001771000000000 ] - [ 0.0011011300000000, 0.0002211900000000, -0.0000235600000000 ] - [ 0.0002931700000000, 0.0000579100000000, 0.0001009300000000 ] - [ -0.0000018700000000, 0.0004691600000000, 0.0003426900000000 ] - [ -0.0004821700000000, 0.0000456400000000, -0.0000583300000000 ] - [ -0.0001217900000000, 0.0005075900000000, 0.0001389500000000 ] - [ 0.0006001200000000, 0.0024607100000000, 0.0008191600000000 ] - [ 0.0004363100000000, -0.0000487400000000, 0.0000451600000000 ] - [ 0.0000847800000000, -0.0001339100000000, -0.0000887300000000 ] - [ 0.0018915000000000, -0.0032604400000000, -0.0002287700000000 ] - [ -0.0001765900000000, 0.0001000700000000, 0.0002433100000000 ] - [ -0.0014333900000000, 0.0007168200000000, 0.0000371600000000 ] - [ 0.0000751000000000, 0.0002782500000000, -0.0000527000000000 ] - [ 0.0000353500000000, 0.0007490900000000, 0.0025696200000000 ] - [ 0.0000312200000000, -0.0000999200000000, 0.0000231000000000 ] - [ 0.0001251500000000, 0.0001118100000000, -0.0000287000000000 ] - [ -0.0002909400000000, -0.0000526900000000, -0.0002548200000000 ] - [ 0.0002042400000000, -0.0000471100000000, -0.0001632400000000 ] - [ 0.0177958800000000, -0.0576672200000000, 0.0009437500000000 ] - [ -0.0016830100000000, 0.0019838600000000, 0.0003439700000000 ] - [ -0.0001055000000000, 0.0000123300000000, -0.0002130800000000 ] - [ -0.0000736700000000, -0.0000846200000000, -0.0000815500000000 ] - [ 0.0002655100000000, -0.0001569400000000, -0.0003432300000000 ] - [ -0.0002153000000000, 0.0003615200000000, 0.0001166600000000 ] - [ -0.0016301300000000, 0.0011602600000000, -0.0019505200000000 ] - [ -0.0002467500000000, 0.0001386300000000, 0.0001382700000000 ] - [ 0.0023999900000000, 0.0003111900000000, -0.0029004300000000 ] - [ 0.0001450000000000, -0.0000117900000000, 0.0000418900000000 ] - [ -0.0002275800000000, 0.0004164900000000, 0.0001004100000000 ] - [ -0.0000304800000000, 0.0004226600000000, -0.0001793700000000 ] - [ -0.0000706300000000, -0.0001290400000000, 0.0003414500000000 ] - [ 0.0001948300000000, -0.0001520500000000, -0.0000898500000000 ] - [ 0.0001298800000000, -0.0004202400000000, -0.0000606200000000 ] - [ -0.0001375500000000, 0.0000691700000000, -0.0001451100000000 ] - [ 0.0002597900000000, 0.0001061200000000, 0.0002256300000000 ] - [ -0.0011800400000000, 0.0011061200000000, 0.0002518500000000 ] - [ 0.0000022900000000, 0.0003321100000000, 0.0001037700000000 ] - [ -0.0001815300000000, 0.0003022800000000, 0.0003409000000000 ] - [ -0.0001505100000000, -0.0003844100000000, 0.0001924600000000 ] - [ 0.0004251000000000, -0.0002294400000000, 0.0000121600000000 ] - [ 0.0001507900000000, 0.0001010900000000, -0.0018270700000000 ] - [ 0.0001368700000000, 0.0002537000000000, -0.0001084600000000 ] - [ -0.0001380300000000, -0.0000836600000000, 0.0003139900000000 ] - [ -0.0002500500000000, 0.0005215400000000, -0.0001384400000000 ] - [ 0.0000508600000000, 0.0000398300000000, -0.0000087500000000 ] - [ 0.0000025700000000, -0.0004383900000000, 0.0003581200000000 ] - [ 0.0000229500000000, -0.0002989300000000, 0.0000584300000000 ] - [ 0.0001372300000000, -0.0001538500000000, -0.0000579600000000 ] - [ -0.0002905300000000, -0.0002549700000000, -0.0001675400000000 ] - [ -0.0100115500000000, 0.0043056600000000, 0.0037614300000000 ] - [ 0.0001549400000000, 0.0003774100000000, 0.0000024700000000 ] - [ -0.0004433800000000, 0.0004085200000000, -0.0003205000000000 ] - [ 0.0000942300000000, 0.0004029800000000, -0.0000195900000000 ] - [ -0.0000968000000000, -0.0002198000000000, -0.0002043900000000 ] - [ 0.0002374900000000, 0.0003749100000000, -0.0000771000000000 ] - [ -0.0003214000000000, -0.0001667900000000, -0.0000546600000000 ] - [ 0.0000946200000000, 0.0001473700000000, 0.0000343300000000 ] - [ 0.0004915000000000, 0.0003280900000000, 0.0000709700000000 ] - [ 0.0001176300000000, 0.0002617900000000, -0.0000580600000000 ] - [ 0.0003409200000000, -0.0006301800000000, -0.0001258000000000 ] - [ -0.0002609600000000, 0.0004993000000000, 0.0001671500000000 ] - [ -0.0000414600000000, 0.0013365100000000, -0.0009119600000000 ] - [ -0.0000884800000000, -0.0000910000000000, 0.0003816000000000 ] - [ 0.0002625700000000, 0.0001875900000000, 0.0001755200000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001203500000000, -0.0005044600000000, 0.0003722600000000 ] - [ -0.0001281200000000, -0.0000518100000000, -0.0002289500000000 ] - [ -0.0000381300000000, -0.0000194400000000, -0.0000191100000000 ] - [ -0.0001196200000000, 0.0004320800000000, -0.0000504200000000 ] - [ -0.0001416900000000, 0.0003845400000000, 0.0001750100000000 ] - [ 0.0000823100000000, -0.0001432600000000, -0.0000738000000000 ] - [ 0.0000282000000000, 0.0001125900000000, -0.0001550800000000 ] - [ 0.0001729200000000, 0.0003783700000000, 0.0001481500000000 ] - [ -0.0000626600000000, -0.0000316700000000, 0.0000875100000000 ] - [ 0.0000264500000000, -0.0000836000000000, 0.0000627100000000 ] - [ -0.0000710700000000, -0.0000661100000000, 0.0001604400000000 ] - [ -0.0004852900000000, 0.0004397700000000, -0.0006848700000000 ] - [ -0.0003942500000000, -0.0006420600000000, 0.0001704400000000 ] - [ -0.0000318100000000, 0.0002601100000000, -0.0003028000000000 ] - [ -0.0004659800000000, -0.0013534900000000, -0.0020084500000000 ] - [ 0.0002399600000000, 0.0007687300000000, -0.0002097000000000 ] - [ 0.0000786700000000, 0.0004927800000000, -0.0002230400000000 ] - [ -0.0035092800000000, -0.0232809400000000, 0.0081798000000000 ] - [ 0.0007062800000000, -0.0005017300000000, -0.0003986200000000 ] - [ 0.0000257900000000, 0.0002281100000000, 0.0001016400000000 ] - [ -0.0004869300000000, -0.0002359500000000, -0.0003495400000000 ] - [ -0.0001207000000000, 0.0005925400000000, 0.0001666700000000 ] - [ 0.0002918800000000, 0.0002613700000000, -0.0001234300000000 ] - [ 0.0006081500000000, -0.0005965100000000, 0.0000084600000000 ] - [ -0.0002847400000000, -0.0008077300000000, -0.0007507200000000 ] - [ -0.0003162400000000, -0.0001121100000000, 0.0000541500000000 ] - [ -0.0000000500000000, -0.0000563700000000, -0.0004481700000000 ] - [ -0.0001551500000000, 0.0002023100000000, -0.0008540400000000 ] - [ -0.0001107700000000, 0.0002106200000000, -0.0010452000000000 ] - [ -0.0003742500000000, 0.0009559200000000, 0.0000040900000000 ] - [ -0.0007127100000000, -0.0000667500000000, 0.0007342500000000 ] - [ 0.0004148800000000, 0.0003982600000000, 0.0000268900000000 ] - [ -0.0004699300000000, -0.0005203500000000, -0.0001371300000000 ] - [ -0.0004114600000000, -0.0005726000000000, -0.0003438700000000 ] - [ -0.0000146100000000, 0.0000817300000000, -0.0003768900000000 ] - [ 0.0000115100000000, 0.0005408800000000, -0.0012654700000000 ] - [ -0.0001425900000000, 0.0003152400000000, -0.0004460300000000 ] - [ 0.0116950200000000, -0.0199927300000000, -0.0038141400000000 ] - [ -0.0002747700000000, 0.0006333400000000, 0.0000809800000000 ] - [ 0.0005052800000000, 0.0001805300000000, 0.0002375000000000 ] - [ 0.0001044900000000, -0.0002275700000000, -0.0000953200000000 ] - [ -0.0012757600000000, -0.0001240500000000, -0.0002815600000000 ] - [ 0.0001798200000000, -0.0001273900000000, 0.0002469600000000 ] - [ 0.0000022500000000, 0.0004151600000000, 0.0003049300000000 ] - [ 0.0001586600000000, -0.0000092300000000, 0.0005502900000000 ] - [ -0.0000444800000000, -0.0000419100000000, 0.0005598400000000 ] - [ -0.0009297100000000, -0.0032136800000000, -0.0004598800000000 ] - [ 0.0004184800000000, -0.0002536600000000, 0.0000009800000000 ] - [ 0.0001019100000000, -0.0002535900000000, -0.0000299200000000 ] - [ -0.0017919200000000, 0.0032858300000000, -0.0000407800000000 ] - [ -0.0001392500000000, -0.0001356100000000, 0.0002489400000000 ] - [ 0.0009238300000000, -0.0009887100000000, -0.0000254000000000 ] - [ 0.0000159900000000, -0.0002013800000000, 0.0000518600000000 ] - [ -0.0000446500000000, -0.0016572500000000, -0.0019090500000000 ] - [ -0.0000148100000000, -0.0004240800000000, 0.0000030500000000 ] - [ 0.0002311700000000, -0.0000991200000000, -0.0000612100000000 ] - [ -0.0003088600000000, -0.0002664600000000, -0.0002367800000000 ] - [ 0.0002588300000000, -0.0003842700000000, -0.0000674300000000 ] - [ -0.0176798900000000, 0.0567770000000000, -0.0002985000000000 ] - [ 0.0010581000000000, -0.0016518100000000, -0.0008164500000000 ] - [ 0.0001922600000000, -0.0000855400000000, 0.0002079200000000 ] - [ -0.0001288100000000, -0.0000002900000000, -0.0002338500000000 ] - [ 0.0001965100000000, 0.0005854500000000, 0.0001120400000000 ] - [ -0.0002177100000000, -0.0000947900000000, -0.0000856500000000 ] - [ 0.0019557600000000, -0.0011548400000000, 0.0018198300000000 ] - [ 0.0010906700000000, 0.0001715400000000, -0.0000952800000000 ] - [ -0.0021693000000000, 0.0000774600000000, 0.0027328000000000 ] - [ 0.0001484400000000, -0.0003257800000000, 0.0000142300000000 ] - [ -0.0001268700000000, 0.0003957600000000, 0.0002342300000000 ] - [ 0.0000468600000000, 0.0001044900000000, 0.0002075000000000 ] - [ -0.0000925800000000, -0.0003364100000000, 0.0003609000000000 ] - [ 0.0002648400000000, 0.0001906200000000, 0.0004449500000000 ] - [ 0.0000009300000000, 0.0003724600000000, -0.0002200900000000 ] - [ -0.0000643100000000, 0.0000158200000000, -0.0001709100000000 ] - [ 0.0002121000000000, -0.0001762300000000, 0.0001238600000000 ] - [ 0.0011506900000000, -0.0002079700000000, 0.0004136700000000 ] - [ -0.0003178200000000, -0.0002950500000000, 0.0003889400000000 ] - [ 0.0000179700000000, 0.0001639300000000, 0.0003614800000000 ] - [ -0.0002037100000000, -0.0004272500000000, 0.0001426900000000 ] - [ 0.0004295600000000, -0.0000727700000000, 0.0000349900000000 ] - [ 0.0000352900000000, -0.0005010100000000, 0.0017319400000000 ] - [ 0.0000020600000000, -0.0002008400000000, -0.0001637900000000 ] - [ -0.0001781200000000, 0.0000486700000000, 0.0001787300000000 ] - [ -0.0001827200000000, -0.0007865100000000, 0.0001676800000000 ] - [ 0.0000397200000000, 0.0000356300000000, 0.0000080400000000 ] - [ -0.0000020200000000, -0.0004453600000000, 0.0002893700000000 ] - [ -0.0000067500000000, -0.0002221500000000, -0.0000299400000000 ] - [ 0.0002208900000000, 0.0001671700000000, -0.0000310700000000 ] - [ -0.0003081000000000, -0.0000635300000000, -0.0003231500000000 ] - [ 0.0105839400000000, -0.0048598300000000, -0.0040263000000000 ] - [ 0.0001387200000000, -0.0000378100000000, 0.0000533400000000 ] - [ -0.0001567400000000, -0.0000878600000000, -0.0001712800000000 ] - [ -0.0000020900000000, -0.0004741000000000, 0.0000187100000000 ] - [ -0.0001050400000000, 0.0001361400000000, -0.0001108900000000 ] - [ 0.0002257000000000, 0.0000566400000000, -0.0001528000000000 ] - [ -0.0001106000000000, 0.0004338900000000, 0.0000862700000000 ] - [ 0.0002622200000000, -0.0001590000000000, -0.0001248300000000 ] - [ 0.0003634700000000, -0.0000243900000000, -0.0000250300000000 ] - [ 0.0000690000000000, 0.0001268300000000, -0.0000607700000000 ] - [ -0.0000431000000000, 0.0002910100000000, 0.0001828900000000 ] - [ -0.0000942800000000, 0.0003109500000000, 0.0001723300000000 ] - [ 0.0000596700000000, -0.0008002400000000, 0.0009353000000000 ] - [ -0.0000747800000000, -0.0003754000000000, 0.0003208100000000 ] - [ 0.0002098100000000, -0.0001179100000000, 0.0001741000000000 ]- atom: 59 displacement: [ -0.0032829647159691, 0.0000000000000000, 0.0094457473327261 ] forces: - [ -0.0002015300000000, -0.0002003000000000, 0.0002354900000000 ] - [ -0.0001229900000000, -0.0000942000000000, -0.0002307100000000 ] - [ 0.0000034000000000, 0.0000427400000000, -0.0001567200000000 ] - [ -0.0000931200000000, 0.0001118600000000, 0.0000346500000000 ] - [ -0.0001106400000000, 0.0002114400000000, 0.0001345100000000 ] - [ -0.0001714000000000, 0.0002881900000000, -0.0000405300000000 ] - [ -0.0000002900000000, -0.0000660300000000, -0.0002188200000000 ] - [ 0.0000084800000000, 0.0001445300000000, 0.0001906500000000 ] - [ -0.0000947900000000, -0.0001676600000000, 0.0001465300000000 ] - [ -0.0000119600000000, -0.0001620100000000, -0.0000546800000000 ] - [ -0.0000253800000000, -0.0001244600000000, 0.0001247200000000 ] - [ -0.0000507700000000, 0.0001359800000000, -0.0000700800000000 ] - [ 0.0001448700000000, -0.0001677900000000, 0.0002104500000000 ] - [ -0.0000116400000000, 0.0001020400000000, -0.0001994000000000 ] - [ 0.0012468300000000, 0.0013486100000000, 0.0036938600000000 ] - [ -0.0000287500000000, 0.0003413500000000, 0.0000769400000000 ] - [ 0.0001121100000000, 0.0001198300000000, -0.0002081700000000 ] - [ -0.0029161300000000, -0.0101488000000000, 0.0059288900000000 ] - [ 0.0008362400000000, 0.0000789400000000, 0.0014221000000000 ] - [ -0.0000062000000000, -0.0001456400000000, 0.0001042500000000 ] - [ -0.0001058700000000, 0.0008883000000000, -0.0000290800000000 ] - [ 0.0000069200000000, 0.0002001500000000, 0.0001204400000000 ] - [ 0.0001139000000000, -0.0001120500000000, -0.0001647900000000 ] - [ 0.0004068400000000, -0.0001750700000000, 0.0000116900000000 ] - [ 0.0009850100000000, -0.0031260500000000, 0.0030915100000000 ] - [ -0.0002596700000000, -0.0002988700000000, -0.0000596500000000 ] - [ -0.0000095300000000, 0.0000047500000000, -0.0004636300000000 ] - [ 0.0009856300000000, 0.0000031400000000, 0.0012042900000000 ] - [ -0.0000412700000000, 0.0002160000000000, 0.0000193800000000 ] - [ -0.0004172200000000, 0.0007116100000000, -0.0000804900000000 ] - [ -0.0007436500000000, 0.0008105600000000, 0.0010870100000000 ] - [ 0.0004024700000000, 0.0000623700000000, -0.0001822700000000 ] - [ -0.0004255800000000, -0.0006778200000000, -0.0000901500000000 ] - [ -0.0005077000000000, -0.0001639900000000, -0.0000422700000000 ] - [ -0.0001097100000000, -0.0000577200000000, -0.0003855100000000 ] - [ 0.0003321500000000, -0.0001702300000000, -0.0001218300000000 ] - [ -0.0001525200000000, 0.0000641600000000, -0.0004428400000000 ] - [ -0.0472536900000000, 0.0105845400000000, 0.0270915100000000 ] - [ -0.0002387500000000, 0.0003464000000000, -0.0000896300000000 ] - [ 0.0001954000000000, 0.0002275400000000, 0.0000791400000000 ] - [ 0.0000679800000000, -0.0000529100000000, -0.0001242200000000 ] - [ 0.0002617500000000, 0.0002152400000000, -0.0000829400000000 ] - [ 0.0002329300000000, -0.0000609200000000, 0.0001901900000000 ] - [ 0.0000016500000000, 0.0004375500000000, 0.0003131300000000 ] - [ -0.0002884400000000, 0.0000630800000000, -0.0000080900000000 ] - [ -0.0000523700000000, -0.0001066800000000, 0.0001408700000000 ] - [ -0.0004676600000000, -0.0002218200000000, -0.0006755900000000 ] - [ 0.0004135900000000, -0.0001463800000000, 0.0000200400000000 ] - [ 0.0000898200000000, -0.0002019800000000, -0.0000533100000000 ] - [ 0.0015166100000000, 0.0002698500000000, -0.0019820700000000 ] - [ -0.0001827700000000, -0.0000061400000000, 0.0002844200000000 ] - [ -0.0019199600000000, 0.0000541300000000, 0.0009461900000000 ] - [ 0.0000515700000000, -0.0000326300000000, 0.0000798400000000 ] - [ 0.0003419300000000, 0.0031837900000000, 0.0019603300000000 ] - [ -0.0000325600000000, -0.0000456700000000, 0.0001198900000000 ] - [ 0.0001954000000000, 0.0000074700000000, -0.0000441500000000 ] - [ -0.0002674100000000, -0.0001392700000000, -0.0002028700000000 ] - [ 0.0002362700000000, -0.0002055000000000, -0.0001151500000000 ] - [ 0.0595511500000000, -0.0048814800000000, -0.0562936400000000 ] - [ -0.0019000900000000, 0.0016498200000000, -0.0002590800000000 ] - [ 0.0000042800000000, -0.0000733100000000, -0.0001132500000000 ] - [ -0.0001275800000000, -0.0000120400000000, -0.0001865900000000 ] - [ 0.0000775700000000, 0.0005980000000000, 0.0001819000000000 ] - [ -0.0002125400000000, 0.0001850300000000, 0.0000111800000000 ] - [ 0.0019075900000000, -0.0009562700000000, 0.0004447200000000 ] - [ 0.0007166400000000, -0.0002006400000000, -0.0003409300000000 ] - [ -0.0019125600000000, 0.0009476500000000, 0.0015110100000000 ] - [ 0.0001429900000000, -0.0001823900000000, 0.0000321900000000 ] - [ -0.0001666300000000, 0.0004034000000000, 0.0002187100000000 ] - [ -0.0000198800000000, 0.0001814600000000, -0.0002755700000000 ] - [ -0.0001066000000000, -0.0002570700000000, 0.0003954000000000 ] - [ 0.0003349500000000, -0.0004260300000000, -0.0001053000000000 ] - [ 0.0013438600000000, -0.0005424100000000, 0.0022413500000000 ] - [ -0.0000908800000000, 0.0000459800000000, -0.0001293400000000 ] - [ 0.0002206700000000, -0.0000977000000000, 0.0001659100000000 ] - [ -0.0119061000000000, 0.0001186000000000, 0.0057481800000000 ] - [ -0.0001766700000000, -0.0000131500000000, 0.0002548300000000 ] - [ -0.0001016800000000, 0.0002871400000000, 0.0003520600000000 ] - [ -0.0001781800000000, -0.0003837900000000, 0.0001497900000000 ] - [ 0.0006293000000000, -0.0002287100000000, -0.0001641300000000 ] - [ -0.0002258100000000, -0.0009946500000000, 0.0011162700000000 ] - [ 0.0000575000000000, 0.0000035700000000, -0.0001326800000000 ] - [ 0.0000442300000000, -0.0000441500000000, 0.0003103900000000 ] - [ -0.0002115300000000, -0.0002596700000000, 0.0000466200000000 ] - [ 0.0000656000000000, 0.0000403600000000, 0.0000007600000000 ] - [ -0.0000039000000000, -0.0004387700000000, 0.0003259900000000 ] - [ 0.0000603900000000, -0.0002498300000000, 0.0000298700000000 ] - [ 0.0003500400000000, 0.0000499600000000, -0.0000818800000000 ] - [ -0.0002394400000000, -0.0001864300000000, -0.0001625000000000 ] - [ 0.0008749700000000, 0.0009045500000000, -0.0016424800000000 ] - [ 0.0001481400000000, 0.0001411600000000, 0.0000315000000000 ] - [ -0.0002808700000000, 0.0001424200000000, -0.0002381100000000 ] - [ 0.0001160700000000, -0.0000753200000000, -0.0000048700000000 ] - [ -0.0002177100000000, -0.0001998100000000, -0.0000302200000000 ] - [ 0.0002327300000000, 0.0002040900000000, -0.0001175100000000 ] - [ -0.0003955100000000, 0.0000132400000000, -0.0000823300000000 ] - [ 0.0001895700000000, -0.0000203700000000, -0.0000513500000000 ] - [ 0.0004050100000000, 0.0001462400000000, 0.0000152600000000 ] - [ 0.0000952400000000, 0.0001917900000000, -0.0000526100000000 ] - [ -0.0011197300000000, 0.0000421600000000, 0.0036244200000000 ] - [ -0.0000449500000000, 0.0005148100000000, 0.0001306600000000 ] - [ 0.0000297000000000, 0.0001018300000000, 0.0001644800000000 ] - [ -0.0000614200000000, -0.0002192200000000, 0.0003484700000000 ] - [ 0.0002342100000000, 0.0000323700000000, 0.0001692400000000 ]- atom: 59 displacement: [ 0.0032829647159691, 0.0000000000000000, -0.0094457473327261 ] forces: - [ -0.0000102600000000, -0.0001479500000000, 0.0000581000000000 ] - [ 0.0000525000000000, -0.0002273800000000, 0.0001040000000000 ] - [ -0.0000363500000000, -0.0003202300000000, 0.0004069000000000 ] - [ 0.0000261900000000, 0.0002113000000000, -0.0001564800000000 ] - [ -0.0001004000000000, 0.0001356700000000, 0.0001517100000000 ] - [ 0.0001594600000000, -0.0000975200000000, -0.0003520900000000 ] - [ -0.0000089500000000, -0.0001249300000000, -0.0001801400000000 ] - [ -0.0000432900000000, 0.0001313600000000, 0.0000609100000000 ] - [ -0.0001151800000000, -0.0001779800000000, 0.0001401800000000 ] - [ -0.0000534700000000, -0.0001582100000000, -0.0000691100000000 ] - [ -0.0000113400000000, -0.0001486400000000, 0.0001261900000000 ] - [ -0.0000137600000000, 0.0001842500000000, -0.0000503200000000 ] - [ -0.0003594100000000, 0.0005164300000000, 0.0000678400000000 ] - [ 0.0000014500000000, 0.0000902500000000, -0.0001983700000000 ] - [ -0.0013149000000000, -0.0015993900000000, -0.0041919500000000 ] - [ -0.0000091900000000, -0.0000638800000000, 0.0001765600000000 ] - [ 0.0000607500000000, 0.0001274900000000, -0.0001430900000000 ] - [ 0.0029727100000000, 0.0106321100000000, -0.0056217800000000 ] - [ -0.0006617800000000, -0.0003190800000000, -0.0017884600000000 ] - [ 0.0000747600000000, -0.0001992400000000, 0.0001454700000000 ] - [ 0.0002729100000000, -0.0006263500000000, -0.0003150400000000 ] - [ 0.0000632900000000, 0.0001464900000000, 0.0001287700000000 ] - [ 0.0000573200000000, -0.0001316400000000, -0.0001860200000000 ] - [ -0.0003308800000000, -0.0001578500000000, 0.0002420700000000 ] - [ -0.0018240600000000, 0.0017023400000000, -0.0031152900000000 ] - [ -0.0002467900000000, -0.0003124300000000, -0.0002013800000000 ] - [ -0.0001330000000000, -0.0002177800000000, -0.0003391100000000 ] - [ -0.0002244000000000, -0.0003986900000000, -0.0010505300000000 ] - [ -0.0000984800000000, -0.0000032300000000, -0.0008284300000000 ] - [ -0.0004169300000000, 0.0006740800000000, -0.0000863800000000 ] - [ 0.0001931300000000, -0.0002257200000000, -0.0013087900000000 ] - [ 0.0003578300000000, 0.0003385600000000, 0.0003275700000000 ] - [ -0.0004089500000000, -0.0007053500000000, -0.0000771600000000 ] - [ -0.0000000500000000, -0.0004451800000000, -0.0002213600000000 ] - [ -0.0000345100000000, -0.0001553200000000, -0.0004142200000000 ] - [ 0.0004271500000000, -0.0002356400000000, 0.0002779600000000 ] - [ 0.0000076000000000, 0.0001501900000000, -0.0003597400000000 ] - [ 0.0477387400000000, -0.0096744300000000, -0.0272851400000000 ] - [ -0.0002662800000000, 0.0002666000000000, -0.0001773800000000 ] - [ 0.0005622000000000, 0.0001773100000000, 0.0000768500000000 ] - [ 0.0000729000000000, 0.0000013700000000, -0.0001466900000000 ] - [ -0.0004714000000000, -0.0001295300000000, -0.0002342400000000 ] - [ 0.0002378800000000, -0.0000103400000000, 0.0001590500000000 ] - [ -0.0000012000000000, 0.0004444700000000, 0.0003334800000000 ] - [ -0.0000262700000000, -0.0000292400000000, 0.0005041800000000 ] - [ -0.0001114500000000, 0.0005753900000000, 0.0005639600000000 ] - [ 0.0001017200000000, -0.0006151500000000, 0.0010046200000000 ] - [ 0.0004410600000000, -0.0001556400000000, 0.0000242700000000 ] - [ 0.0000965000000000, -0.0001892500000000, -0.0000667000000000 ] - [ -0.0014093800000000, -0.0002164200000000, 0.0017273100000000 ] - [ -0.0001335800000000, -0.0000296900000000, 0.0002102000000000 ] - [ 0.0014413700000000, -0.0003080100000000, -0.0009400600000000 ] - [ 0.0000383100000000, 0.0001059100000000, -0.0000793700000000 ] - [ -0.0003126000000000, -0.0039941800000000, -0.0012949500000000 ] - [ 0.0000475200000000, -0.0004749200000000, -0.0000894000000000 ] - [ 0.0001625100000000, 0.0000055600000000, -0.0000487700000000 ] - [ -0.0003315800000000, -0.0001802800000000, -0.0002867500000000 ] - [ 0.0002266200000000, -0.0002255700000000, -0.0001154300000000 ] - [ -0.0606513300000000, 0.0056030100000000, 0.0564095600000000 ] - [ 0.0012966600000000, -0.0013267900000000, -0.0002381200000000 ] - [ 0.0000857900000000, -0.0000013100000000, 0.0001155600000000 ] - [ -0.0000741700000000, -0.0000732000000000, -0.0001292900000000 ] - [ 0.0003864900000000, -0.0001636100000000, -0.0004146600000000 ] - [ -0.0002202400000000, 0.0000836400000000, 0.0000187500000000 ] - [ -0.0015240300000000, 0.0009246900000000, -0.0005166900000000 ] - [ 0.0001377000000000, 0.0005064000000000, 0.0003715400000000 ] - [ 0.0021316200000000, -0.0005524200000000, -0.0016584700000000 ] - [ 0.0001483600000000, -0.0001545900000000, 0.0000233700000000 ] - [ -0.0001869700000000, 0.0004110500000000, 0.0001181700000000 ] - [ 0.0000357900000000, 0.0003426700000000, 0.0003013000000000 ] - [ -0.0000563600000000, -0.0002109700000000, 0.0003069300000000 ] - [ 0.0001368800000000, 0.0005019300000000, 0.0004561800000000 ] - [ -0.0011739600000000, 0.0004859900000000, -0.0024724600000000 ] - [ -0.0001104200000000, 0.0000409500000000, -0.0001853300000000 ] - [ 0.0002505600000000, 0.0000252200000000, 0.0001816200000000 ] - [ 0.0121173300000000, 0.0007610400000000, -0.0053304600000000 ] - [ -0.0001385700000000, 0.0000490400000000, 0.0002391500000000 ] - [ -0.0000611800000000, 0.0001805300000000, 0.0003498100000000 ] - [ -0.0001758900000000, -0.0004302500000000, 0.0001857000000000 ] - [ 0.0002301700000000, -0.0000758400000000, 0.0002039300000000 ] - [ 0.0004092200000000, 0.0005805400000000, -0.0012148200000000 ] - [ 0.0000829800000000, 0.0000457400000000, -0.0001384700000000 ] - [ -0.0003561700000000, 0.0000065900000000, 0.0001835800000000 ] - [ -0.0002216700000000, -0.0000097900000000, -0.0000155400000000 ] - [ 0.0000250600000000, 0.0000316700000000, -0.0000034800000000 ] - [ 0.0000043200000000, -0.0004433300000000, 0.0003215800000000 ] - [ -0.0000441000000000, -0.0002763100000000, -0.0000039700000000 ] - [ 0.0000067600000000, -0.0000369300000000, -0.0000129900000000 ] - [ -0.0003620000000000, -0.0001339500000000, -0.0003265400000000 ] - [ -0.0004152500000000, -0.0013395000000000, 0.0014040500000000 ] - [ 0.0001436200000000, 0.0001940500000000, 0.0000240400000000 ] - [ -0.0003193600000000, 0.0001776900000000, -0.0002525000000000 ] - [ -0.0000241400000000, -0.0000001500000000, 0.0000040000000000 ] - [ 0.0000153300000000, 0.0001116500000000, -0.0002842700000000 ] - [ 0.0002301300000000, 0.0002256500000000, -0.0001131900000000 ] - [ -0.0000411300000000, 0.0002520300000000, 0.0001102800000000 ] - [ 0.0001669400000000, 0.0000065200000000, -0.0000405700000000 ] - [ 0.0004503200000000, 0.0001553200000000, 0.0000296200000000 ] - [ 0.0000912100000000, 0.0001985800000000, -0.0000673900000000 ] - [ 0.0013839000000000, -0.0003749400000000, -0.0035382600000000 ] - [ -0.0003082700000000, 0.0003008300000000, 0.0002078900000000 ] - [ -0.0000126800000000, 0.0004272500000000, -0.0001385200000000 ] - [ -0.0001008900000000, -0.0002492400000000, 0.0003523300000000 ] - [ 0.0002373300000000, 0.0000379600000000, 0.0001790200000000 ]