# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/51fcdbf7-df9d-4ccb-ae11-982485cc1b18/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 K2Na3InO4 / Pnnm (58) / materials id 504962](https://mdr.nims.go.jp/datasets/f7e9c44c-1aa0-420b-9649-3da0590e94d6) ## 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: "Pnnm" number: 58 Hall_symbol: "-P 2 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.277712080000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.540822650000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.549271650000000 ] # c points: - symbol: In # 1 coordinates: [ 0.772270790000000, 0.871194410000000, 0.500000000000000 ] mass: 114.818000 - symbol: In # 2 coordinates: [ 0.227729210000000, 0.128805590000000, 0.500000000000000 ] mass: 114.818000 - symbol: In # 3 coordinates: [ 0.272270790000000, 0.628805590000000, 0.000000000000000 ] mass: 114.818000 - symbol: In # 4 coordinates: [ 0.727729210000000, 0.371194410000000, 0.000000000000000 ] mass: 114.818000 - symbol: Na # 5 coordinates: [ 0.482778620000000, 0.349606610000000, 0.752337520000000 ] mass: 22.989769 - symbol: Na # 6 coordinates: [ 0.517221380000000, 0.650393390000000, 0.752337520000000 ] mass: 22.989769 - symbol: Na # 7 coordinates: [ 0.982778620000000, 0.150393390000000, 0.747662480000000 ] mass: 22.989769 - symbol: Na # 8 coordinates: [ 0.017221380000000, 0.849606610000000, 0.747662480000000 ] mass: 22.989769 - symbol: Na # 9 coordinates: [ 0.517221380000000, 0.650393390000000, 0.247662480000000 ] mass: 22.989769 - symbol: Na # 10 coordinates: [ 0.482778620000000, 0.349606610000000, 0.247662480000000 ] mass: 22.989769 - symbol: Na # 11 coordinates: [ 0.017221380000000, 0.849606610000000, 0.252337520000000 ] mass: 22.989769 - symbol: Na # 12 coordinates: [ 0.982778620000000, 0.150393390000000, 0.252337520000000 ] mass: 22.989769 - symbol: Na # 13 coordinates: [ 0.236793060000000, 0.925095860000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 14 coordinates: [ 0.763206940000000, 0.074904140000000, 0.000000000000000 ] mass: 22.989769 - symbol: Na # 15 coordinates: [ 0.736793060000000, 0.574904140000000, 0.500000000000000 ] mass: 22.989769 - symbol: Na # 16 coordinates: [ 0.263206940000000, 0.425095860000000, 0.500000000000000 ] mass: 22.989769 - symbol: K # 17 coordinates: [ 0.232204990000000, 0.265262270000000, 0.000000000000000 ] mass: 39.098300 - symbol: K # 18 coordinates: [ 0.767795010000000, 0.734737730000000, 0.000000000000000 ] mass: 39.098300 - symbol: K # 19 coordinates: [ 0.732204990000000, 0.234737730000000, 0.500000000000000 ] mass: 39.098300 - symbol: K # 20 coordinates: [ 0.267795010000000, 0.765262270000000, 0.500000000000000 ] mass: 39.098300 - symbol: K # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.744551680000000 ] mass: 39.098300 - symbol: K # 22 coordinates: [ 0.500000000000000, 0.000000000000000, 0.755448320000000 ] mass: 39.098300 - symbol: K # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.255448320000000 ] mass: 39.098300 - symbol: K # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.244551680000000 ] mass: 39.098300 - symbol: O # 25 coordinates: [ 0.568920760000000, 0.776538400000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.431079240000000, 0.223461600000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.068920760000000, 0.723461600000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.931079240000000, 0.276538400000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.300638080000000, 0.516371290000000, 0.767747000000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.699361920000000, 0.483628710000000, 0.767747000000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.800638080000000, 0.983628710000000, 0.732253000000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.199361920000000, 0.016371290000000, 0.732253000000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.699361920000000, 0.483628710000000, 0.232253000000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.300638080000000, 0.516371290000000, 0.232253000000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.199361920000000, 0.016371290000000, 0.267747000000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.800638080000000, 0.983628710000000, 0.267747000000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.441068900000000, 0.778493510000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.558931100000000, 0.221506490000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.941068900000000, 0.721506490000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.058931100000000, 0.278493510000000, 0.500000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.107785194385985, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.104812764756716, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.132463109868354 ] # c*unit_cell: lattice: - [ 9.277712080000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.540822650000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 7.549271650000000 ] # c points: - symbol: In # 1 coordinates: [ 0.772270790000000, 0.871194410000000, 0.500000000000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 2 coordinates: [ 0.227729210000000, 0.128805590000000, 0.500000000000000 ] mass: 114.818000 reduced_to: 2 - symbol: In # 3 coordinates: [ 0.272270790000000, 0.628805590000000, 0.000000000000000 ] mass: 114.818000 reduced_to: 3 - symbol: In # 4 coordinates: [ 0.727729210000000, 0.371194410000000, 0.000000000000000 ] mass: 114.818000 reduced_to: 4 - symbol: Na # 5 coordinates: [ 0.482778620000000, 0.349606610000000, 0.752337520000000 ] mass: 22.989769 reduced_to: 5 - symbol: Na # 6 coordinates: [ 0.517221380000000, 0.650393390000000, 0.752337520000000 ] mass: 22.989769 reduced_to: 6 - symbol: Na # 7 coordinates: [ 0.982778620000000, 0.150393390000000, 0.747662480000000 ] mass: 22.989769 reduced_to: 7 - symbol: Na # 8 coordinates: [ 0.017221380000000, 0.849606610000000, 0.747662480000000 ] mass: 22.989769 reduced_to: 8 - symbol: Na # 9 coordinates: [ 0.517221380000000, 0.650393390000000, 0.247662480000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.482778620000000, 0.349606610000000, 0.247662480000000 ] mass: 22.989769 reduced_to: 10 - symbol: Na # 11 coordinates: [ 0.017221380000000, 0.849606610000000, 0.252337520000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.982778620000000, 0.150393390000000, 0.252337520000000 ] mass: 22.989769 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.236793060000000, 0.925095860000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.763206940000000, 0.074904140000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 14 - symbol: Na # 15 coordinates: [ 0.736793060000000, 0.574904140000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.263206940000000, 0.425095860000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 16 - symbol: K # 17 coordinates: [ 0.232204990000000, 0.265262270000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 18 coordinates: [ 0.767795010000000, 0.734737730000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 18 - symbol: K # 19 coordinates: [ 0.732204990000000, 0.234737730000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 20 coordinates: [ 0.267795010000000, 0.765262270000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 20 - symbol: K # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.744551680000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 22 coordinates: [ 0.500000000000000, 0.000000000000000, 0.755448320000000 ] mass: 39.098300 reduced_to: 22 - symbol: K # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.255448320000000 ] mass: 39.098300 reduced_to: 23 - symbol: K # 24 coordinates: [ 0.500000000000000, 0.000000000000000, 0.244551680000000 ] mass: 39.098300 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.568920760000000, 0.776538400000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.431079240000000, 0.223461600000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.068920760000000, 0.723461600000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.931079240000000, 0.276538400000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.300638080000000, 0.516371290000000, 0.767747000000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.699361920000000, 0.483628710000000, 0.767747000000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.800638080000000, 0.983628710000000, 0.732253000000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.199361920000000, 0.016371290000000, 0.732253000000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.699361920000000, 0.483628710000000, 0.232253000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.300638080000000, 0.516371290000000, 0.232253000000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.199361920000000, 0.016371290000000, 0.267747000000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.800638080000000, 0.983628710000000, 0.267747000000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.441068900000000, 0.778493510000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.558931100000000, 0.221506490000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.941068900000000, 0.721506490000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.058931100000000, 0.278493510000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 40supercell: lattice: - [ 9.277712080000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.540822650000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.098543299999999 ] # c points: - symbol: In # 1 coordinates: [ 0.772270790000000, 0.871194410000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 2 coordinates: [ 0.772270790000000, 0.871194410000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 1 - symbol: In # 3 coordinates: [ 0.227729210000000, 0.128805590000000, 0.250000000000000 ] mass: 114.818000 reduced_to: 3 - symbol: In # 4 coordinates: [ 0.227729210000000, 0.128805590000000, 0.750000000000000 ] mass: 114.818000 reduced_to: 3 - symbol: In # 5 coordinates: [ 0.272270790000000, 0.628805590000000, 0.000000000000000 ] mass: 114.818000 reduced_to: 5 - symbol: In # 6 coordinates: [ 0.272270790000000, 0.628805590000000, 0.500000000000000 ] mass: 114.818000 reduced_to: 5 - symbol: In # 7 coordinates: [ 0.727729210000000, 0.371194410000000, 0.000000000000000 ] mass: 114.818000 reduced_to: 7 - symbol: In # 8 coordinates: [ 0.727729210000000, 0.371194410000000, 0.500000000000000 ] mass: 114.818000 reduced_to: 7 - symbol: Na # 9 coordinates: [ 0.482778620000000, 0.349606610000000, 0.376168760000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 10 coordinates: [ 0.482778620000000, 0.349606610000000, 0.876168760000000 ] mass: 22.989769 reduced_to: 9 - symbol: Na # 11 coordinates: [ 0.517221380000000, 0.650393390000000, 0.376168760000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 12 coordinates: [ 0.517221380000000, 0.650393390000000, 0.876168760000000 ] mass: 22.989769 reduced_to: 11 - symbol: Na # 13 coordinates: [ 0.982778620000000, 0.150393390000000, 0.373831240000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.982778620000000, 0.150393390000000, 0.873831240000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 15 coordinates: [ 0.017221380000000, 0.849606610000000, 0.373831240000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 16 coordinates: [ 0.017221380000000, 0.849606610000000, 0.873831240000000 ] mass: 22.989769 reduced_to: 15 - symbol: Na # 17 coordinates: [ 0.517221380000000, 0.650393390000000, 0.123831240000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 18 coordinates: [ 0.517221380000000, 0.650393390000000, 0.623831240000000 ] mass: 22.989769 reduced_to: 17 - symbol: Na # 19 coordinates: [ 0.482778620000000, 0.349606610000000, 0.123831240000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 20 coordinates: [ 0.482778620000000, 0.349606610000000, 0.623831240000000 ] mass: 22.989769 reduced_to: 19 - symbol: Na # 21 coordinates: [ 0.017221380000000, 0.849606610000000, 0.126168760000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 22 coordinates: [ 0.017221380000000, 0.849606610000000, 0.626168760000000 ] mass: 22.989769 reduced_to: 21 - symbol: Na # 23 coordinates: [ 0.982778620000000, 0.150393390000000, 0.126168760000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 24 coordinates: [ 0.982778620000000, 0.150393390000000, 0.626168760000000 ] mass: 22.989769 reduced_to: 23 - symbol: Na # 25 coordinates: [ 0.236793060000000, 0.925095860000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 26 coordinates: [ 0.236793060000000, 0.925095860000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 25 - symbol: Na # 27 coordinates: [ 0.763206940000000, 0.074904140000000, 0.000000000000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 28 coordinates: [ 0.763206940000000, 0.074904140000000, 0.500000000000000 ] mass: 22.989769 reduced_to: 27 - symbol: Na # 29 coordinates: [ 0.736793060000000, 0.574904140000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 30 coordinates: [ 0.736793060000000, 0.574904140000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 29 - symbol: Na # 31 coordinates: [ 0.263206940000000, 0.425095860000000, 0.250000000000000 ] mass: 22.989769 reduced_to: 31 - symbol: Na # 32 coordinates: [ 0.263206940000000, 0.425095860000000, 0.750000000000000 ] mass: 22.989769 reduced_to: 31 - symbol: K # 33 coordinates: [ 0.232204990000000, 0.265262270000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 34 coordinates: [ 0.232204990000000, 0.265262270000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 33 - symbol: K # 35 coordinates: [ 0.767795010000000, 0.734737730000000, 0.000000000000000 ] mass: 39.098300 reduced_to: 35 - symbol: K # 36 coordinates: [ 0.767795010000000, 0.734737730000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 35 - symbol: K # 37 coordinates: [ 0.732204990000000, 0.234737730000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 38 coordinates: [ 0.732204990000000, 0.234737730000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 37 - symbol: K # 39 coordinates: [ 0.267795010000000, 0.765262270000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 39 - symbol: K # 40 coordinates: [ 0.267795010000000, 0.765262270000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 39 - symbol: K # 41 coordinates: [ 0.000000000000000, 0.500000000000000, 0.372275840000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 42 coordinates: [ 0.000000000000000, 0.500000000000000, 0.872275840000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 43 coordinates: [ 0.500000000000000, 0.000000000000000, 0.377724160000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 44 coordinates: [ 0.500000000000000, 0.000000000000000, 0.877724160000000 ] mass: 39.098300 reduced_to: 43 - symbol: K # 45 coordinates: [ 0.000000000000000, 0.500000000000000, 0.127724160000000 ] mass: 39.098300 reduced_to: 45 - symbol: K # 46 coordinates: [ 0.000000000000000, 0.500000000000000, 0.627724160000000 ] mass: 39.098300 reduced_to: 45 - symbol: K # 47 coordinates: [ 0.500000000000000, 0.000000000000000, 0.122275840000000 ] mass: 39.098300 reduced_to: 47 - symbol: K # 48 coordinates: [ 0.500000000000000, 0.000000000000000, 0.622275840000000 ] mass: 39.098300 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.568920760000000, 0.776538400000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.568920760000000, 0.776538400000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.431079240000000, 0.223461600000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.431079240000000, 0.223461600000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.068920760000000, 0.723461600000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.068920760000000, 0.723461600000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.931079240000000, 0.276538400000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.931079240000000, 0.276538400000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.300638080000000, 0.516371290000000, 0.383873500000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.300638080000000, 0.516371290000000, 0.883873500000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.699361920000000, 0.483628710000000, 0.383873500000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.699361920000000, 0.483628710000000, 0.883873500000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.800638080000000, 0.983628710000000, 0.366126500000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.800638080000000, 0.983628710000000, 0.866126500000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.199361920000000, 0.016371290000000, 0.366126500000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.199361920000000, 0.016371290000000, 0.866126500000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.699361920000000, 0.483628710000000, 0.116126500000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.699361920000000, 0.483628710000000, 0.616126500000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.300638080000000, 0.516371290000000, 0.116126500000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.300638080000000, 0.516371290000000, 0.616126500000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.199361920000000, 0.016371290000000, 0.133873500000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.199361920000000, 0.016371290000000, 0.633873500000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.800638080000000, 0.983628710000000, 0.133873500000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.800638080000000, 0.983628710000000, 0.633873500000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.441068900000000, 0.778493510000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.441068900000000, 0.778493510000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.558931100000000, 0.221506490000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.558931100000000, 0.221506490000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.941068900000000, 0.721506490000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.941068900000000, 0.721506490000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.058931100000000, 0.278493510000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.058931100000000, 0.278493510000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 79displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1698504400000000, -0.0050932700000000, 0.0000000000000000 ] - [ 0.0000302700000000, -0.0007534600000000, 0.0000000000000000 ] - [ 0.0035907600000000, 0.0012686600000000, 0.0000000000000000 ] - [ -0.0001868400000000, 0.0006546200000000, 0.0000000000000000 ] - [ 0.0025721800000000, 0.0006905000000000, 0.0003322700000000 ] - [ 0.0025721800000000, 0.0006905000000000, -0.0003322700000000 ] - [ -0.0009943000000000, -0.0002425600000000, 0.0002465200000000 ] - [ -0.0009943000000000, -0.0002425600000000, -0.0002465200000000 ] - [ 0.0001842800000000, 0.0004163000000000, -0.0000305300000000 ] - [ 0.0001514900000000, 0.0000848500000000, 0.0004091800000000 ] - [ 0.0015151100000000, 0.0028992700000000, -0.0032992600000000 ] - [ -0.0002350400000000, 0.0000194900000000, 0.0005273300000000 ] - [ 0.0007859000000000, 0.0016854600000000, 0.0012785300000000 ] - [ 0.0001654800000000, -0.0000470500000000, -0.0004193900000000 ] - [ 0.0106941300000000, -0.0002991200000000, 0.0123712100000000 ] - [ -0.0001135800000000, 0.0001427700000000, -0.0005135400000000 ] - [ 0.0015151100000000, 0.0028992700000000, 0.0032992600000000 ] - [ -0.0002350400000000, 0.0000194900000000, -0.0005273300000000 ] - [ 0.0001842800000000, 0.0004163000000000, 0.0000305300000000 ] - [ 0.0001514900000000, 0.0000848500000000, -0.0004091800000000 ] - [ 0.0106941300000000, -0.0002991200000000, -0.0123712100000000 ] - [ -0.0001135800000000, 0.0001427700000000, 0.0005135400000000 ] - [ 0.0007859000000000, 0.0016854600000000, -0.0012785300000000 ] - [ 0.0001654800000000, -0.0000470500000000, 0.0004193900000000 ] - [ 0.0010488600000000, 0.0002592800000000, -0.0001270800000000 ] - [ 0.0010488600000000, 0.0002592800000000, 0.0001270800000000 ] - [ -0.0004963100000000, -0.0003022600000000, 0.0000657100000000 ] - [ -0.0004963100000000, -0.0003022600000000, -0.0000657100000000 ] - [ -0.0077076200000000, 0.0041092800000000, 0.0000000000000000 ] - [ 0.0002143700000000, -0.0002560400000000, 0.0000000000000000 ] - [ 0.0013388300000000, 0.0003113900000000, 0.0000000000000000 ] - [ -0.0002441100000000, 0.0002492400000000, 0.0000000000000000 ] - [ 0.0006091800000000, -0.0002199300000000, -0.0000944600000000 ] - [ 0.0006091800000000, -0.0002199300000000, 0.0000944600000000 ] - [ -0.0019977200000000, 0.0001334000000000, -0.0000436700000000 ] - [ -0.0019977200000000, 0.0001334000000000, 0.0000436700000000 ] - [ -0.0020552500000000, -0.0011330000000000, 0.0000000000000000 ] - [ 0.0002246900000000, 0.0002652400000000, 0.0000000000000000 ] - [ 0.0065582400000000, -0.0002295000000000, 0.0000000000000000 ] - [ -0.0001309800000000, -0.0002317100000000, 0.0000000000000000 ] - [ 0.0004128800000000, -0.0018553100000000, 0.0007541700000000 ] - [ -0.0000102600000000, -0.0000875600000000, -0.0008561100000000 ] - [ 0.0054833600000000, -0.0050826000000000, -0.0059312200000000 ] - [ -0.0000962100000000, -0.0001072500000000, 0.0008901500000000 ] - [ 0.0004128800000000, -0.0018553100000000, -0.0007541700000000 ] - [ -0.0000102600000000, -0.0000875600000000, 0.0008561100000000 ] - [ 0.0054833600000000, -0.0050826000000000, 0.0059312200000000 ] - [ -0.0000962100000000, -0.0001072500000000, -0.0008901500000000 ] - [ 0.0694948800000000, 0.0288945800000000, 0.0000000000000000 ] - [ -0.0003692100000000, -0.0001333500000000, 0.0000000000000000 ] - [ -0.0016097400000000, 0.0013861200000000, 0.0000000000000000 ] - [ 0.0005200300000000, 0.0001937600000000, 0.0000000000000000 ] - [ -0.0021663700000000, 0.0006741000000000, 0.0018413900000000 ] - [ -0.0021663700000000, 0.0006741000000000, -0.0018413900000000 ] - [ 0.0011627500000000, -0.0002494600000000, 0.0004180500000000 ] - [ 0.0011627500000000, -0.0002494600000000, -0.0004180500000000 ] - [ -0.0021379000000000, -0.0012090800000000, 0.0009707800000000 ] - [ -0.0001158300000000, -0.0006512900000000, 0.0000778300000000 ] - [ 0.0022932800000000, -0.0007515900000000, 0.0010826200000000 ] - [ -0.0000427100000000, 0.0005579300000000, 0.0000611800000000 ] - [ 0.0131931900000000, 0.0060186600000000, 0.0097558900000000 ] - [ 0.0003943100000000, 0.0005355900000000, 0.0000088200000000 ] - [ -0.0037274200000000, -0.0014548800000000, -0.0010500500000000 ] - [ -0.0004501100000000, -0.0005433100000000, -0.0001662200000000 ] - [ 0.0022932800000000, -0.0007515900000000, -0.0010826200000000 ] - [ -0.0000427100000000, 0.0005579300000000, -0.0000611800000000 ] - [ -0.0021379000000000, -0.0012090800000000, -0.0009707800000000 ] - [ -0.0001158300000000, -0.0006512900000000, -0.0000778300000000 ] - [ -0.0037274200000000, -0.0014548800000000, 0.0010500500000000 ] - [ -0.0004501100000000, -0.0005433100000000, 0.0001662200000000 ] - [ 0.0131931900000000, 0.0060186600000000, -0.0097558900000000 ] - [ 0.0003943100000000, 0.0005355900000000, -0.0000088200000000 ] - [ -0.0013269400000000, -0.0002554400000000, -0.0021067100000000 ] - [ -0.0013269400000000, -0.0002554400000000, 0.0021067100000000 ] - [ 0.0005554300000000, 0.0000249400000000, -0.0004013100000000 ] - [ 0.0005554300000000, 0.0000249400000000, 0.0004013100000000 ] - [ 0.0471013700000000, -0.0316295800000000, 0.0000000000000000 ] - [ 0.0001506200000000, -0.0002186000000000, 0.0000000000000000 ] - [ -0.0015512500000000, 0.0005145400000000, 0.0000000000000000 ] - [ -0.0001407900000000, 0.0002633200000000, 0.0000000000000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1727833100000000, 0.0082567200000000, 0.0000000000000000 ] - [ 0.0005867200000000, -0.0004809800000000, 0.0000000000000000 ] - [ -0.0042125500000000, -0.0000085200000000, 0.0000000000000000 ] - [ -0.0004275800000000, 0.0005864800000000, 0.0000000000000000 ] - [ -0.0019586600000000, 0.0005399000000000, -0.0003317900000000 ] - [ -0.0019586600000000, 0.0005399000000000, 0.0003317900000000 ] - [ 0.0003831200000000, -0.0009975700000000, -0.0002436400000000 ] - [ 0.0003831200000000, -0.0009975700000000, 0.0002436400000000 ] - [ 0.0000770000000000, -0.0002886800000000, 0.0007529200000000 ] - [ 0.0001077800000000, 0.0000425000000000, 0.0003112200000000 ] - [ -0.0017872100000000, -0.0030478800000000, 0.0040337300000000 ] - [ -0.0000204200000000, -0.0001456000000000, 0.0001914500000000 ] - [ -0.0005397400000000, -0.0018026800000000, -0.0019908100000000 ] - [ 0.0000921200000000, -0.0000808400000000, -0.0002976600000000 ] - [ -0.0108428700000000, 0.0004012700000000, -0.0129018400000000 ] - [ -0.0001470500000000, -0.0000120500000000, -0.0002041000000000 ] - [ -0.0017872100000000, -0.0030478800000000, -0.0040337300000000 ] - [ -0.0000204200000000, -0.0001456000000000, -0.0001914500000000 ] - [ 0.0000770000000000, -0.0002886800000000, -0.0007529200000000 ] - [ 0.0001077800000000, 0.0000425000000000, -0.0003112200000000 ] - [ -0.0108428700000000, 0.0004012700000000, 0.0129018400000000 ] - [ -0.0001470500000000, -0.0000120500000000, 0.0002041000000000 ] - [ -0.0005397400000000, -0.0018026800000000, 0.0019908100000000 ] - [ 0.0000921200000000, -0.0000808400000000, 0.0002976600000000 ] - [ -0.0004642700000000, 0.0002259200000000, 0.0001202600000000 ] - [ -0.0004642700000000, 0.0002259200000000, -0.0001202600000000 ] - [ -0.0000870700000000, -0.0001806100000000, -0.0000657300000000 ] - [ -0.0000870700000000, -0.0001806100000000, 0.0000657300000000 ] - [ 0.0083293800000000, -0.0045374800000000, 0.0000000000000000 ] - [ 0.0003745600000000, -0.0002266300000000, 0.0000000000000000 ] - [ -0.0019320500000000, 0.0001780700000000, 0.0000000000000000 ] - [ -0.0003436000000000, 0.0002353200000000, 0.0000000000000000 ] - [ -0.0000150300000000, -0.0002366200000000, 0.0000922800000000 ] - [ -0.0000150300000000, -0.0002366200000000, -0.0000922800000000 ] - [ 0.0014041800000000, 0.0003290300000000, 0.0000472100000000 ] - [ 0.0014041800000000, 0.0003290300000000, -0.0000472100000000 ] - [ 0.0026695700000000, 0.0015551000000000, 0.0000000000000000 ] - [ 0.0003720300000000, 0.0001919100000000, 0.0000000000000000 ] - [ -0.0071578600000000, -0.0002494700000000, 0.0000000000000000 ] - [ -0.0004641400000000, -0.0002261500000000, 0.0000000000000000 ] - [ -0.0004106100000000, 0.0018495700000000, -0.0021723800000000 ] - [ 0.0000094500000000, 0.0000869000000000, -0.0005629200000000 ] - [ -0.0055318400000000, 0.0051358500000000, 0.0074309800000000 ] - [ 0.0000981400000000, 0.0001076800000000, 0.0005264100000000 ] - [ -0.0004106100000000, 0.0018495700000000, 0.0021723800000000 ] - [ 0.0000094500000000, 0.0000869000000000, 0.0005629200000000 ] - [ -0.0055318400000000, 0.0051358500000000, -0.0074309800000000 ] - [ 0.0000981400000000, 0.0001076800000000, -0.0005264100000000 ] - [ -0.0745069900000000, -0.0314733700000000, 0.0000000000000000 ] - [ -0.0008468100000000, -0.0002879200000000, 0.0000000000000000 ] - [ 0.0028211900000000, -0.0009897200000000, 0.0000000000000000 ] - [ 0.0006930600000000, 0.0002227400000000, 0.0000000000000000 ] - [ 0.0009560100000000, -0.0002510900000000, -0.0018343400000000 ] - [ 0.0009560100000000, -0.0002510900000000, 0.0018343400000000 ] - [ 0.0000533200000000, -0.0001637900000000, -0.0004228300000000 ] - [ 0.0000533200000000, -0.0001637900000000, 0.0004228300000000 ] - [ 0.0026466400000000, 0.0001471600000000, -0.0005228900000000 ] - [ 0.0006239900000000, -0.0004068500000000, 0.0003651200000000 ] - [ -0.0028042900000000, 0.0018208400000000, -0.0006429400000000 ] - [ -0.0004653600000000, 0.0005028900000000, 0.0003792700000000 ] - [ -0.0128415800000000, -0.0051326600000000, -0.0105251200000000 ] - [ 0.0001124400000000, 0.0005259700000000, -0.0004525100000000 ] - [ 0.0032156500000000, 0.0003773000000000, 0.0006004200000000 ] - [ -0.0000557400000000, -0.0005190300000000, -0.0002743400000000 ] - [ -0.0028042900000000, 0.0018208400000000, 0.0006429400000000 ] - [ -0.0004653600000000, 0.0005028900000000, -0.0003792700000000 ] - [ 0.0026466400000000, 0.0001471600000000, 0.0005228900000000 ] - [ 0.0006239900000000, -0.0004068500000000, -0.0003651200000000 ] - [ 0.0032156500000000, 0.0003773000000000, -0.0006004200000000 ] - [ -0.0000557400000000, -0.0005190300000000, 0.0002743400000000 ] - [ -0.0128415800000000, -0.0051326600000000, 0.0105251200000000 ] - [ 0.0001124400000000, 0.0005259700000000, 0.0004525100000000 ] - [ 0.0014324200000000, 0.0007429100000000, 0.0021156600000000 ] - [ 0.0014324200000000, 0.0007429100000000, -0.0021156600000000 ] - [ -0.0006659300000000, -0.0005094900000000, 0.0004032500000000 ] - [ -0.0006659300000000, -0.0005094900000000, -0.0004032500000000 ] - [ -0.0453477300000000, 0.0292225200000000, 0.0000000000000000 ] - [ -0.0000455700000000, -0.0002635800000000, 0.0000000000000000 ] - [ 0.0014653900000000, -0.0000425700000000, 0.0000000000000000 ] - [ 0.0000405300000000, 0.0002170700000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0069112600000000, -0.1601720900000000, 0.0000000000000000 ] - [ 0.0001732900000000, -0.0014225600000000, 0.0000000000000000 ] - [ 0.0003318800000000, -0.0003677500000000, 0.0000000000000000 ] - [ -0.0002756000000000, 0.0007184400000000, 0.0000000000000000 ] - [ 0.0002343700000000, 0.0003237000000000, 0.0013646900000000 ] - [ 0.0002343700000000, 0.0003237000000000, -0.0013646900000000 ] - [ -0.0006857600000000, 0.0014625200000000, 0.0015355700000000 ] - [ -0.0006857600000000, 0.0014625200000000, -0.0015355700000000 ] - [ 0.0000099300000000, 0.0011613900000000, 0.0006096900000000 ] - [ 0.0000714300000000, 0.0002262600000000, 0.0004051800000000 ] - [ 0.0017237000000000, 0.0011375400000000, -0.0023223900000000 ] - [ -0.0002709600000000, -0.0001496900000000, 0.0005111500000000 ] - [ 0.0027654600000000, 0.0027171000000000, 0.0015314600000000 ] - [ 0.0003506800000000, 0.0001565600000000, -0.0006040400000000 ] - [ -0.0000081900000000, -0.0058681900000000, -0.0030810800000000 ] - [ 0.0001936500000000, -0.0002370500000000, -0.0004992400000000 ] - [ 0.0017237000000000, 0.0011375400000000, 0.0023223900000000 ] - [ -0.0002709600000000, -0.0001496900000000, -0.0005111500000000 ] - [ 0.0000099300000000, 0.0011613900000000, -0.0006096900000000 ] - [ 0.0000714300000000, 0.0002262600000000, -0.0004051800000000 ] - [ -0.0000081900000000, -0.0058681900000000, 0.0030810800000000 ] - [ 0.0001936500000000, -0.0002370500000000, 0.0004992400000000 ] - [ 0.0027654600000000, 0.0027171000000000, -0.0015314600000000 ] - [ 0.0003506800000000, 0.0001565600000000, 0.0006040400000000 ] - [ 0.0004650400000000, -0.0001628000000000, -0.0000444500000000 ] - [ 0.0004650400000000, -0.0001628000000000, 0.0000444500000000 ] - [ -0.0006983400000000, 0.0009146400000000, -0.0017713000000000 ] - [ -0.0006983400000000, 0.0009146400000000, 0.0017713000000000 ] - [ 0.0043315800000000, 0.0249315600000000, 0.0000000000000000 ] - [ 0.0002651900000000, -0.0003307600000000, 0.0000000000000000 ] - [ -0.0006532300000000, 0.0017748600000000, 0.0000000000000000 ] - [ -0.0002650800000000, 0.0003278400000000, 0.0000000000000000 ] - [ 0.0003798100000000, 0.0001781700000000, -0.0000177800000000 ] - [ 0.0003798100000000, 0.0001781700000000, 0.0000177800000000 ] - [ -0.0003684900000000, -0.0014556700000000, 0.0017601600000000 ] - [ -0.0003684900000000, -0.0014556700000000, -0.0017601600000000 ] - [ -0.0014299400000000, 0.0120591100000000, 0.0000000000000000 ] - [ 0.0002480300000000, 0.0004477300000000, 0.0000000000000000 ] - [ -0.0009827900000000, -0.0011297000000000, 0.0000000000000000 ] - [ -0.0002923800000000, -0.0003416200000000, 0.0000000000000000 ] - [ -0.0007890700000000, 0.0026624700000000, -0.0023816600000000 ] - [ 0.0000913700000000, 0.0000885600000000, -0.0005395600000000 ] - [ -0.0049986600000000, -0.0013080600000000, 0.0027852900000000 ] - [ -0.0003388100000000, -0.0000799100000000, 0.0005182000000000 ] - [ -0.0007890700000000, 0.0026624700000000, 0.0023816600000000 ] - [ 0.0000913700000000, 0.0000885600000000, 0.0005395600000000 ] - [ -0.0049986600000000, -0.0013080600000000, -0.0027852900000000 ] - [ -0.0003388100000000, -0.0000799100000000, -0.0005182000000000 ] - [ 0.0287295200000000, 0.0263678600000000, 0.0000000000000000 ] - [ -0.0002447300000000, 0.0001327800000000, 0.0000000000000000 ] - [ 0.0023785300000000, -0.0010896700000000, 0.0000000000000000 ] - [ 0.0006850800000000, 0.0000531800000000, 0.0000000000000000 ] - [ -0.0008739900000000, 0.0012182400000000, -0.0013651900000000 ] - [ -0.0008739900000000, 0.0012182400000000, 0.0013651900000000 ] - [ 0.0006484000000000, -0.0023201000000000, 0.0001641400000000 ] - [ 0.0006484000000000, -0.0023201000000000, -0.0001641400000000 ] - [ 0.0004305500000000, -0.0016423300000000, 0.0015747100000000 ] - [ 0.0002876000000000, -0.0007066000000000, -0.0002018300000000 ] - [ -0.0007788700000000, -0.0037414500000000, 0.0031241700000000 ] - [ -0.0001450700000000, 0.0004169800000000, -0.0001462100000000 ] - [ 0.0060287400000000, 0.0350338500000000, 0.0381781300000000 ] - [ 0.0003089200000000, 0.0007136400000000, 0.0008170700000000 ] - [ -0.0012974100000000, 0.0010860100000000, 0.0002733500000000 ] - [ -0.0003857600000000, -0.0004437400000000, -0.0001948500000000 ] - [ -0.0007788700000000, -0.0037414500000000, -0.0031241700000000 ] - [ -0.0001450700000000, 0.0004169800000000, 0.0001462100000000 ] - [ 0.0004305500000000, -0.0016423300000000, -0.0015747100000000 ] - [ 0.0002876000000000, -0.0007066000000000, 0.0002018300000000 ] - [ -0.0012974100000000, 0.0010860100000000, -0.0002733500000000 ] - [ -0.0003857600000000, -0.0004437400000000, 0.0001948500000000 ] - [ 0.0060287400000000, 0.0350338500000000, -0.0381781300000000 ] - [ 0.0003089200000000, 0.0007136400000000, -0.0008170700000000 ] - [ 0.0003557100000000, 0.0011785600000000, -0.0008892600000000 ] - [ 0.0003557100000000, 0.0011785600000000, 0.0008892600000000 ] - [ 0.0002415000000000, -0.0019560900000000, 0.0003134500000000 ] - [ 0.0002415000000000, -0.0019560900000000, -0.0003134500000000 ] - [ -0.0298183000000000, 0.0394715000000000, 0.0000000000000000 ] - [ -0.0002235300000000, 0.0001469400000000, 0.0000000000000000 ] - [ -0.0017655500000000, -0.0028583000000000, 0.0000000000000000 ] - [ -0.0001756800000000, 0.0000716200000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0064184500000000, 0.1598130300000000, 0.0000000000000000 ] - [ 0.0004417100000000, 0.0001898000000000, 0.0000000000000000 ] - [ -0.0009422000000000, 0.0015779900000000, 0.0000000000000000 ] - [ -0.0003403100000000, 0.0005173500000000, 0.0000000000000000 ] - [ 0.0003799100000000, 0.0009155200000000, -0.0013642200000000 ] - [ 0.0003799100000000, 0.0009155200000000, 0.0013642200000000 ] - [ 0.0000754200000000, -0.0027098000000000, -0.0015582100000000 ] - [ 0.0000754200000000, -0.0027098000000000, 0.0015582100000000 ] - [ 0.0002401900000000, -0.0010363800000000, 0.0001151000000000 ] - [ 0.0001860000000000, -0.0000985900000000, 0.0003140900000000 ] - [ -0.0020033000000000, -0.0012518400000000, 0.0030548600000000 ] - [ 0.0000123000000000, 0.0000269500000000, 0.0002085600000000 ] - [ -0.0024867100000000, -0.0028378900000000, -0.0022231000000000 ] - [ -0.0000913300000000, -0.0002843300000000, -0.0001146500000000 ] - [ -0.0002951800000000, 0.0060055600000000, 0.0023205100000000 ] - [ -0.0004518800000000, 0.0003645000000000, -0.0002173300000000 ] - [ -0.0020033000000000, -0.0012518400000000, -0.0030548600000000 ] - [ 0.0000123000000000, 0.0000269500000000, -0.0002085600000000 ] - [ 0.0002401900000000, -0.0010363800000000, -0.0001151000000000 ] - [ 0.0001860000000000, -0.0000985900000000, -0.0003140900000000 ] - [ -0.0002951800000000, 0.0060055600000000, -0.0023205100000000 ] - [ -0.0004518800000000, 0.0003645000000000, 0.0002173300000000 ] - [ -0.0024867100000000, -0.0028378900000000, 0.0022231000000000 ] - [ -0.0000913300000000, -0.0002843300000000, 0.0001146500000000 ] - [ 0.0001222700000000, 0.0006455900000000, 0.0000448400000000 ] - [ 0.0001222700000000, 0.0006455900000000, -0.0000448400000000 ] - [ 0.0001105200000000, -0.0014003800000000, 0.0017609400000000 ] - [ 0.0001105200000000, -0.0014003800000000, -0.0017609400000000 ] - [ -0.0038227800000000, -0.0259026000000000, 0.0000000000000000 ] - [ 0.0003240600000000, -0.0001502100000000, 0.0000000000000000 ] - [ 0.0000618800000000, -0.0012838700000000, 0.0000000000000000 ] - [ -0.0003232400000000, 0.0001565100000000, 0.0000000000000000 ] - [ 0.0002151000000000, -0.0006379200000000, 0.0000163900000000 ] - [ 0.0002151000000000, -0.0006379200000000, -0.0000163900000000 ] - [ -0.0002271600000000, 0.0019243900000000, -0.0017647600000000 ] - [ -0.0002271600000000, 0.0019243900000000, 0.0017647600000000 ] - [ 0.0019969800000000, -0.0114427100000000, 0.0000000000000000 ] - [ 0.0003480400000000, 0.0000091400000000, 0.0000000000000000 ] - [ 0.0003873900000000, 0.0006702900000000, 0.0000000000000000 ] - [ -0.0003020800000000, -0.0001172000000000, 0.0000000000000000 ] - [ 0.0008065900000000, -0.0026635800000000, 0.0009686300000000 ] - [ -0.0000900300000000, -0.0000872800000000, -0.0008808100000000 ] - [ 0.0049936100000000, 0.0012785400000000, -0.0013616200000000 ] - [ 0.0003390000000000, 0.0000777300000000, 0.0009009400000000 ] - [ 0.0008065900000000, -0.0026635800000000, -0.0009686300000000 ] - [ -0.0000900300000000, -0.0000872800000000, 0.0008808100000000 ] - [ 0.0049936100000000, 0.0012785400000000, 0.0013616200000000 ] - [ 0.0003390000000000, 0.0000777300000000, -0.0009009400000000 ] - [ -0.0306721900000000, -0.0267563300000000, 0.0000000000000000 ] - [ -0.0009698700000000, -0.0005545500000000, 0.0000000000000000 ] - [ -0.0011439900000000, 0.0015136100000000, 0.0000000000000000 ] - [ 0.0005322500000000, 0.0003654400000000, 0.0000000000000000 ] - [ -0.0003394900000000, -0.0008047600000000, 0.0013636900000000 ] - [ -0.0003394900000000, -0.0008047600000000, -0.0013636900000000 ] - [ 0.0005600500000000, 0.0019099300000000, -0.0001583700000000 ] - [ 0.0005600500000000, 0.0019099300000000, 0.0001583700000000 ] - [ 0.0000773900000000, 0.0005705600000000, -0.0011309000000000 ] - [ 0.0002193900000000, -0.0003577400000000, 0.0006408800000000 ] - [ 0.0002812000000000, 0.0048232100000000, -0.0027260300000000 ] - [ -0.0003607800000000, 0.0006420100000000, 0.0005946000000000 ] - [ -0.0053613100000000, -0.0337466100000000, -0.0374184100000000 ] - [ 0.0001950400000000, 0.0003489900000000, -0.0012631900000000 ] - [ 0.0007912800000000, -0.0021342800000000, -0.0007164200000000 ] - [ -0.0001198400000000, -0.0006174200000000, -0.0002474900000000 ] - [ 0.0002812000000000, 0.0048232100000000, 0.0027260300000000 ] - [ -0.0003607800000000, 0.0006420100000000, -0.0005946000000000 ] - [ 0.0000773900000000, 0.0005705600000000, 0.0011309000000000 ] - [ 0.0002193900000000, -0.0003577400000000, -0.0006408800000000 ] - [ 0.0007912800000000, -0.0021342800000000, 0.0007164200000000 ] - [ -0.0001198400000000, -0.0006174200000000, 0.0002474900000000 ] - [ -0.0053613100000000, -0.0337466100000000, 0.0374184100000000 ] - [ 0.0001950400000000, 0.0003489900000000, 0.0012631900000000 ] - [ -0.0002540600000000, -0.0006994100000000, 0.0008837800000000 ] - [ -0.0002540600000000, -0.0006994100000000, -0.0008837800000000 ] - [ -0.0003415600000000, 0.0014843400000000, -0.0003074600000000 ] - [ -0.0003415600000000, 0.0014843400000000, 0.0003074600000000 ] - [ 0.0316083100000000, -0.0410194800000000, 0.0000000000000000 ] - [ 0.0003285000000000, -0.0006323100000000, 0.0000000000000000 ] - [ 0.0016340600000000, 0.0033336600000000, 0.0000000000000000 ] - [ 0.0000698400000000, 0.0004132000000000, 0.0000000000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005092400000000, -0.0033388400000000, -0.1920045600000000 ] - [ 0.0003076100000000, -0.0006171100000000, 0.0030332100000000 ] - [ -0.0003094800000000, 0.0006188600000000, -0.0050093400000000 ] - [ -0.0003064100000000, 0.0006185300000000, 0.0018553300000000 ] - [ -0.0000230200000000, 0.0019772000000000, -0.0002018700000000 ] - [ 0.0006393600000000, -0.0007519100000000, -0.0002099000000000 ] - [ -0.0000601700000000, -0.0021671300000000, 0.0011124500000000 ] - [ -0.0005505500000000, 0.0009276100000000, 0.0011038000000000 ] - [ -0.0003610600000000, 0.0004747100000000, -0.0003612000000000 ] - [ 0.0003133000000000, 0.0000880000000000, 0.0010588400000000 ] - [ -0.0026568900000000, -0.0021088700000000, 0.0002294600000000 ] - [ 0.0000453600000000, -0.0000594600000000, 0.0011711400000000 ] - [ 0.0027371700000000, 0.0028145000000000, -0.0009081400000000 ] - [ -0.0001809900000000, -0.0001194300000000, 0.0006508300000000 ] - [ 0.0127459000000000, -0.0023757700000000, 0.0044804600000000 ] - [ -0.0004024600000000, 0.0000624400000000, 0.0007313000000000 ] - [ 0.0023894100000000, 0.0019641200000000, -0.0004814900000000 ] - [ -0.0003031600000000, -0.0000687100000000, 0.0004514600000000 ] - [ 0.0006203900000000, -0.0003445400000000, -0.0010802400000000 ] - [ -0.0000544800000000, 0.0000398500000000, 0.0003363700000000 ] - [ -0.0128673400000000, 0.0024973300000000, 0.0051809500000000 ] - [ 0.0001464200000000, 0.0000673600000000, 0.0014516600000000 ] - [ -0.0024748300000000, -0.0029307700000000, -0.0001926900000000 ] - [ 0.0004399100000000, -0.0000075400000000, 0.0013686100000000 ] - [ 0.0001226700000000, 0.0001755400000000, 0.0006222800000000 ] - [ 0.0004648400000000, 0.0003104800000000, 0.0006231100000000 ] - [ 0.0000106900000000, -0.0016497000000000, 0.0035239200000000 ] - [ -0.0005953500000000, 0.0011856600000000, 0.0035428100000000 ] - [ 0.0003020500000000, -0.0001849600000000, -0.0058843700000000 ] - [ 0.0002959200000000, -0.0002409300000000, 0.0010028500000000 ] - [ -0.0002957700000000, 0.0002435800000000, -0.0007312500000000 ] - [ -0.0002957300000000, 0.0002407700000000, 0.0008054200000000 ] - [ 0.0002100000000000, -0.0004126300000000, 0.0001928300000000 ] - [ 0.0003846800000000, -0.0000491200000000, 0.0001918500000000 ] - [ -0.0001734000000000, 0.0028752600000000, 0.0043600400000000 ] - [ -0.0004218300000000, -0.0024410500000000, 0.0044073000000000 ] - [ 0.0002993300000000, 0.0002233700000000, -0.0051535800000000 ] - [ 0.0002980000000000, 0.0002313800000000, 0.0011474400000000 ] - [ -0.0002993100000000, -0.0002323300000000, -0.0013725200000000 ] - [ -0.0002976000000000, -0.0002314000000000, 0.0009368900000000 ] - [ 0.0006932900000000, -0.0005286400000000, -0.0013708000000000 ] - [ -0.0001493900000000, 0.0000507600000000, 0.0001018300000000 ] - [ -0.0073167300000000, 0.0025144500000000, 0.0018302100000000 ] - [ 0.0003632500000000, -0.0000190800000000, 0.0018803700000000 ] - [ -0.0006938400000000, 0.0005267300000000, 0.0000558500000000 ] - [ 0.0001496900000000, -0.0000528700000000, 0.0015217700000000 ] - [ 0.0072725800000000, -0.0024913500000000, 0.0004176000000000 ] - [ -0.0003638000000000, 0.0000206600000000, 0.0004608600000000 ] - [ -0.0004060400000000, -0.0001220000000000, 0.0129703600000000 ] - [ -0.0006103100000000, -0.0002101800000000, -0.0015548100000000 ] - [ 0.0006101200000000, 0.0002075300000000, 0.0028894500000000 ] - [ 0.0006091800000000, 0.0002086500000000, -0.0013816500000000 ] - [ 0.0010653200000000, -0.0011364600000000, -0.0009447000000000 ] - [ -0.0022943600000000, 0.0015619600000000, -0.0009464800000000 ] - [ 0.0014227800000000, 0.0017733300000000, -0.0014699400000000 ] - [ -0.0002013800000000, -0.0021875800000000, -0.0014639500000000 ] - [ 0.0002892600000000, -0.0002617500000000, 0.0014880800000000 ] - [ 0.0003134700000000, -0.0009867500000000, -0.0009957400000000 ] - [ 0.0000974400000000, 0.0016874300000000, 0.0012340200000000 ] - [ -0.0004324500000000, 0.0005515100000000, -0.0014832900000000 ] - [ 0.0112550800000000, 0.0406379200000000, 0.0771309000000000 ] - [ 0.0001934500000000, 0.0002915800000000, -0.0036537100000000 ] - [ -0.0020757500000000, -0.0016128400000000, 0.0022728800000000 ] - [ -0.0001112000000000, -0.0002079000000000, -0.0018133600000000 ] - [ -0.0006050800000000, -0.0006221400000000, 0.0007794100000000 ] - [ -0.0000747000000000, 0.0005185000000000, -0.0019204600000000 ] - [ 0.0002168800000000, -0.0008025900000000, 0.0010378800000000 ] - [ 0.0001937500000000, -0.0000746900000000, -0.0014341900000000 ] - [ 0.0015688000000000, 0.0005449300000000, 0.0027041000000000 ] - [ -0.0003956500000000, -0.0008597100000000, -0.0013741200000000 ] - [ -0.0101160400000000, -0.0370917700000000, 0.0742747900000000 ] - [ 0.0003110300000000, 0.0007690400000000, -0.0032143900000000 ] - [ -0.0013938000000000, -0.0008119400000000, -0.0008411300000000 ] - [ 0.0015097900000000, 0.0013023100000000, -0.0008422000000000 ] - [ -0.0011826500000000, 0.0012349700000000, -0.0014902400000000 ] - [ 0.0010742600000000, -0.0017223200000000, -0.0014893800000000 ] - [ -0.0000682200000000, -0.0001449800000000, 0.0146144500000000 ] - [ 0.0000527400000000, -0.0002419400000000, -0.0015976300000000 ] - [ -0.0000521900000000, 0.0002407200000000, 0.0029943700000000 ] - [ -0.0000524800000000, 0.0002421900000000, -0.0013585000000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003616400000000, -0.0007373900000000, -0.0004913200000000 ] - [ 0.0003308600000000, -0.0006762900000000, 0.0001817000000000 ] - [ 0.0013498500000000, 0.0024720400000000, 0.0025098800000000 ] - [ -0.0004146100000000, 0.0004780000000000, -0.0001734200000000 ] - [ 0.0003457100000000, 0.0003982900000000, 0.0003107700000000 ] - [ 0.0009701600000000, -0.0020021800000000, -0.0026118000000000 ] - [ -0.0002932700000000, -0.0009424900000000, -0.0002752400000000 ] - [ 0.0105161800000000, -0.0007477900000000, 0.0128976600000000 ] - [ -0.0444528000000000, 0.0026451800000000, -0.0103584600000000 ] - [ 0.0000386200000000, 0.0000771000000000, 0.0003959700000000 ] - [ -0.0026472700000000, 0.0013548100000000, 0.0004039700000000 ] - [ -0.0002290200000000, -0.0000492000000000, 0.0003892700000000 ] - [ 0.0012374700000000, -0.0001843600000000, -0.0004372000000000 ] - [ 0.0001933200000000, -0.0000672500000000, -0.0003416100000000 ] - [ 0.0004435400000000, 0.0000674600000000, -0.0003138900000000 ] - [ -0.0000631900000000, 0.0000593100000000, -0.0003376500000000 ] - [ -0.0004424400000000, -0.0000377000000000, -0.0004065900000000 ] - [ -0.0006295000000000, 0.0000919200000000, -0.0003525800000000 ] - [ -0.0005068200000000, -0.0000045100000000, -0.0003450000000000 ] - [ -0.0007294400000000, 0.0002127700000000, -0.0004232000000000 ] - [ 0.0000797800000000, 0.0000994300000000, 0.0003790200000000 ] - [ 0.0000799600000000, 0.0000150100000000, 0.0002828400000000 ] - [ 0.0004950400000000, -0.0000618200000000, 0.0003598700000000 ] - [ 0.0004942300000000, -0.0001144800000000, 0.0003824100000000 ] - [ 0.0002986800000000, 0.0002557600000000, 0.0000846600000000 ] - [ 0.0002446600000000, 0.0002619700000000, -0.0002771700000000 ] - [ -0.0003101000000000, -0.0002396100000000, -0.0000318700000000 ] - [ 0.0001426600000000, -0.0008860400000000, 0.0004362100000000 ] - [ 0.0011126000000000, 0.0009631100000000, -0.0011519600000000 ] - [ 0.0003249100000000, -0.0001392300000000, 0.0001845100000000 ] - [ 0.0036627100000000, -0.0018386500000000, 0.0058018400000000 ] - [ -0.0002951100000000, 0.0003338700000000, -0.0001294000000000 ] - [ 0.0003269800000000, -0.0002141900000000, 0.0001459500000000 ] - [ 0.0047445800000000, 0.0019992900000000, -0.0050945200000000 ] - [ -0.0002798300000000, 0.0002631200000000, -0.0000396000000000 ] - [ -0.0000589300000000, 0.0007599300000000, 0.0002691400000000 ] - [ 0.0036065300000000, -0.0023279200000000, -0.0042251700000000 ] - [ 0.0003407700000000, 0.0001263000000000, 0.0002198600000000 ] - [ -0.0003122800000000, -0.0005365200000000, 0.0003318800000000 ] - [ -0.0003145600000000, -0.0003113100000000, -0.0000953800000000 ] - [ 0.0019457000000000, -0.0000297300000000, -0.0007771200000000 ] - [ 0.0001089100000000, 0.0000091400000000, -0.0006824100000000 ] - [ -0.0016597900000000, -0.0004736400000000, 0.0006242300000000 ] - [ -0.0000584900000000, -0.0000177900000000, 0.0007550600000000 ] - [ 0.0004036500000000, -0.0000613500000000, 0.0007579200000000 ] - [ 0.0006100800000000, 0.0000942500000000, 0.0007066200000000 ] - [ -0.0002544300000000, 0.0000581100000000, -0.0006821800000000 ] - [ -0.0002288500000000, -0.0002288200000000, -0.0006419900000000 ] - [ 0.0000811700000000, -0.0005775800000000, 0.0002828800000000 ] - [ -0.0004269700000000, -0.0002237900000000, -0.0000821200000000 ] - [ 0.0052385400000000, 0.0010465800000000, 0.0018488300000000 ] - [ 0.0009071700000000, 0.0002121900000000, -0.0001233200000000 ] - [ -0.0008052600000000, 0.0002642500000000, -0.0000793600000000 ] - [ -0.0019153300000000, 0.0006722400000000, 0.0004424400000000 ] - [ 0.0003886500000000, -0.0001387400000000, -0.0000066300000000 ] - [ -0.0018388500000000, 0.0005779000000000, -0.0004347800000000 ] - [ 0.0087947100000000, -0.0048366000000000, 0.0005489100000000 ] - [ 0.0002838400000000, -0.0005515800000000, 0.0001292900000000 ] - [ 0.0062246300000000, 0.0027630800000000, -0.0005876700000000 ] - [ -0.0002325900000000, 0.0005486700000000, 0.0001953600000000 ] - [ -0.0002827500000000, 0.0013918900000000, -0.0000353600000000 ] - [ 0.0002313800000000, 0.0005534200000000, -0.0002924800000000 ] - [ -0.0009150200000000, -0.0015269500000000, -0.0006707800000000 ] - [ -0.0002562400000000, -0.0004852900000000, -0.0002356400000000 ] - [ -0.0002673800000000, 0.0004136900000000, 0.0006760700000000 ] - [ -0.0001919000000000, 0.0000691200000000, -0.0018672400000000 ] - [ 0.0002781500000000, -0.0002651100000000, -0.0010333800000000 ] - [ 0.0004648300000000, -0.0002188000000000, 0.0011339900000000 ] - [ -0.0003720800000000, -0.0006577400000000, -0.0002934500000000 ] - [ -0.0002423900000000, -0.0006329200000000, 0.0006259800000000 ] - [ 0.0001502400000000, 0.0007983500000000, 0.0005366600000000 ] - [ 0.0001188900000000, 0.0007062800000000, -0.0000319100000000 ] - [ 0.0002286100000000, 0.0002873200000000, -0.0000930800000000 ] - [ 0.0013944500000000, 0.0010889200000000, 0.0004577500000000 ] - [ 0.0001791800000000, -0.0001335500000000, -0.0000696800000000 ] - [ 0.0050582600000000, -0.0009167000000000, 0.0013569300000000 ] - [ -0.0007331500000000, -0.0003327100000000, 0.0001821800000000 ] - [ -0.0001731800000000, -0.0002726300000000, -0.0000494000000000 ] - [ -0.0017242500000000, -0.0000341000000000, -0.0005655500000000 ] - [ -0.0002744500000000, 0.0002450000000000, 0.0000200800000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002534400000000, -0.0005076100000000, 0.0004908900000000 ] - [ 0.0002844300000000, -0.0005621400000000, -0.0001843800000000 ] - [ -0.0019511700000000, -0.0012542000000000, -0.0025353800000000 ] - [ -0.0001993800000000, 0.0007619400000000, 0.0001746000000000 ] - [ 0.0002715000000000, 0.0008407200000000, -0.0003100000000000 ] - [ -0.0003559600000000, 0.0032497500000000, 0.0025991500000000 ] - [ -0.0003246500000000, -0.0002983900000000, 0.0002729700000000 ] - [ -0.0110206700000000, -0.0004619200000000, -0.0127159100000000 ] - [ 0.0444173700000000, -0.0032447300000000, 0.0108414000000000 ] - [ 0.0002197400000000, 0.0000491200000000, 0.0003257500000000 ] - [ 0.0023798700000000, -0.0015160200000000, 0.0003180200000000 ] - [ -0.0000279200000000, -0.0000762800000000, 0.0003318200000000 ] - [ -0.0009799400000000, 0.0000521300000000, -0.0002815700000000 ] - [ 0.0000650500000000, -0.0000590100000000, -0.0003791900000000 ] - [ -0.0007004900000000, 0.0000563500000000, -0.0004043200000000 ] - [ -0.0001941500000000, 0.0000687900000000, -0.0003821600000000 ] - [ 0.0001852400000000, -0.0000891700000000, -0.0003127100000000 ] - [ 0.0003729000000000, -0.0002185300000000, -0.0003691100000000 ] - [ 0.0007638300000000, 0.0001297500000000, -0.0003708900000000 ] - [ 0.0009897300000000, -0.0000859600000000, -0.0003037400000000 ] - [ -0.0003368000000000, 0.0000275600000000, 0.0003407500000000 ] - [ -0.0003363400000000, 0.0001112000000000, 0.0004360000000000 ] - [ -0.0002356200000000, -0.0000659800000000, 0.0003584300000000 ] - [ -0.0002361700000000, -0.0000138200000000, 0.0003401000000000 ] - [ 0.0002896400000000, 0.0002292000000000, -0.0000851400000000 ] - [ 0.0003449200000000, 0.0002195500000000, 0.0002778300000000 ] - [ -0.0002809400000000, -0.0002419900000000, 0.0000326500000000 ] - [ -0.0007332000000000, 0.0003983200000000, -0.0004330200000000 ] - [ -0.0005190900000000, -0.0014363200000000, 0.0011513100000000 ] - [ 0.0002671600000000, -0.0003415700000000, -0.0001847700000000 ] - [ -0.0042666400000000, 0.0023507000000000, -0.0058679600000000 ] - [ -0.0002939000000000, 0.0001490900000000, 0.0001301500000000 ] - [ 0.0002710700000000, -0.0002440800000000, -0.0001457300000000 ] - [ -0.0041736200000000, -0.0024808100000000, 0.0051549300000000 ] - [ -0.0003151600000000, 0.0001941600000000, 0.0000391700000000 ] - [ -0.0005356900000000, -0.0003037400000000, -0.0002699300000000 ] - [ -0.0029965700000000, 0.0027594600000000, 0.0041810900000000 ] - [ 0.0002554300000000, 0.0003303600000000, -0.0002204300000000 ] - [ -0.0002814100000000, 0.0000782600000000, -0.0003304900000000 ] - [ -0.0002799300000000, -0.0001465300000000, 0.0000953800000000 ] - [ -0.0019479900000000, 0.0000394900000000, -0.0006407800000000 ] - [ -0.0001075300000000, -0.0000088800000000, -0.0007353300000000 ] - [ 0.0016569100000000, 0.0004960400000000, 0.0007938600000000 ] - [ 0.0000591900000000, 0.0000176600000000, 0.0006625100000000 ] - [ -0.0004026100000000, 0.0000633200000000, 0.0006589000000000 ] - [ -0.0006093000000000, -0.0000919900000000, 0.0007122100000000 ] - [ 0.0002540900000000, -0.0000568500000000, -0.0007349800000000 ] - [ 0.0002303100000000, 0.0002291500000000, -0.0007762700000000 ] - [ -0.0012889100000000, 0.0001611200000000, -0.0002851300000000 ] - [ -0.0007869300000000, -0.0001951900000000, 0.0000836000000000 ] - [ -0.0040039200000000, -0.0006259500000000, -0.0018547200000000 ] - [ 0.0003076500000000, 0.0002048900000000, 0.0001243000000000 ] - [ -0.0004091100000000, 0.0001523300000000, 0.0000788300000000 ] - [ 0.0006970900000000, -0.0002499300000000, -0.0004373900000000 ] - [ 0.0008284400000000, -0.0002793100000000, 0.0000083000000000 ] - [ 0.0030614800000000, -0.0009966100000000, 0.0004310600000000 ] - [ -0.0086467600000000, 0.0041818700000000, -0.0000691700000000 ] - [ 0.0002257800000000, -0.0005121000000000, 0.0003092100000000 ] - [ -0.0062535600000000, -0.0013899300000000, 0.0010749800000000 ] - [ -0.0002738000000000, 0.0005174500000000, 0.0002420300000000 ] - [ 0.0007938700000000, -0.0003200800000000, -0.0004079300000000 ] - [ 0.0002770100000000, 0.0005109500000000, -0.0001445300000000 ] - [ 0.0004037800000000, 0.0004734800000000, 0.0002400700000000 ] - [ -0.0002511400000000, -0.0005788200000000, -0.0002036900000000 ] - [ -0.0002369100000000, 0.0006486000000000, -0.0011104800000000 ] - [ -0.0003100500000000, 0.0009919400000000, 0.0014235400000000 ] - [ 0.0002276200000000, -0.0008014000000000, 0.0005975100000000 ] - [ 0.0000413500000000, -0.0008491200000000, -0.0015716900000000 ] - [ -0.0001396000000000, -0.0004072200000000, 0.0007319700000000 ] - [ -0.0002652700000000, -0.0004279000000000, -0.0001896800000000 ] - [ 0.0003606200000000, 0.0002682400000000, -0.0000931600000000 ] - [ 0.0003900400000000, 0.0003595600000000, 0.0004694900000000 ] - [ -0.0001222100000000, 0.0001968300000000, 0.0000922100000000 ] - [ -0.0012900800000000, -0.0006046800000000, -0.0004537100000000 ] - [ -0.0002803300000000, -0.0003496700000000, 0.0000688100000000 ] - [ -0.0051509900000000, 0.0004208500000000, -0.0013196700000000 ] - [ 0.0008379900000000, -0.0001493300000000, -0.0001849700000000 ] - [ 0.0002798400000000, -0.0002127900000000, 0.0000504700000000 ] - [ 0.0016192500000000, 0.0005259000000000, 0.0005750300000000 ] - [ 0.0001688100000000, 0.0002405000000000, -0.0000211200000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006668500000000, 0.0004779200000000, 0.0004058100000000 ] - [ 0.0003289900000000, -0.0004576600000000, 0.0000220300000000 ] - [ 0.0026649000000000, 0.0018221800000000, 0.0020225900000000 ] - [ -0.0002251200000000, 0.0005328300000000, -0.0000052000000000 ] - [ 0.0002915700000000, 0.0008415700000000, -0.0000556800000000 ] - [ -0.0014527500000000, 0.0033964700000000, 0.0028734200000000 ] - [ -0.0003865200000000, -0.0009212400000000, 0.0000021300000000 ] - [ 0.0000118800000000, -0.0065641500000000, 0.0024102400000000 ] - [ 0.0031709900000000, -0.0385906500000000, -0.0019259100000000 ] - [ 0.0001426000000000, 0.0000066700000000, 0.0004196200000000 ] - [ 0.0013192700000000, 0.0103015300000000, 0.0003176100000000 ] - [ -0.0001148000000000, -0.0000562700000000, 0.0004172900000000 ] - [ 0.0002464100000000, -0.0003262300000000, -0.0005314400000000 ] - [ 0.0001322300000000, -0.0000642900000000, -0.0003105600000000 ] - [ -0.0001345000000000, 0.0006190500000000, -0.0005360700000000 ] - [ -0.0001244800000000, 0.0000936100000000, -0.0003077900000000 ] - [ -0.0001033100000000, 0.0001020800000000, -0.0007703200000000 ] - [ 0.0000273500000000, 0.0001061500000000, 0.0000976600000000 ] - [ 0.0000608100000000, -0.0005767100000000, -0.0004226500000000 ] - [ 0.0002784600000000, -0.0006210300000000, -0.0002850900000000 ] - [ -0.0000807500000000, 0.0002328500000000, 0.0003622800000000 ] - [ -0.0001648800000000, 0.0002326800000000, 0.0004683900000000 ] - [ 0.0001787800000000, -0.0000653400000000, 0.0005642700000000 ] - [ 0.0001266300000000, -0.0000655500000000, 0.0002740400000000 ] - [ 0.0002871300000000, 0.0003273300000000, 0.0001377100000000 ] - [ 0.0004221800000000, 0.0009429700000000, -0.0004035700000000 ] - [ -0.0003205500000000, -0.0002309500000000, 0.0000935600000000 ] - [ -0.0009086900000000, 0.0001568200000000, -0.0005631700000000 ] - [ 0.0015240000000000, 0.0003377300000000, -0.0010621500000000 ] - [ 0.0003077200000000, -0.0002192200000000, 0.0000999900000000 ] - [ -0.0025484900000000, -0.0015851700000000, -0.0022560200000000 ] - [ -0.0002975900000000, 0.0001118300000000, 0.0001577800000000 ] - [ 0.0003589900000000, -0.0003478200000000, 0.0002093600000000 ] - [ 0.0026446700000000, -0.0018892700000000, -0.0018823400000000 ] - [ -0.0002879400000000, 0.0002774000000000, 0.0000115700000000 ] - [ -0.0000388300000000, 0.0008015300000000, 0.0001894300000000 ] - [ -0.0022303900000000, -0.0004993500000000, 0.0019218900000000 ] - [ 0.0002317800000000, 0.0001675500000000, -0.0000755400000000 ] - [ -0.0005822700000000, 0.0007382100000000, -0.0003621300000000 ] - [ -0.0003118100000000, -0.0000949000000000, 0.0001551200000000 ] - [ -0.0002080500000000, -0.0002316000000000, -0.0008729000000000 ] - [ -0.0000172900000000, -0.0000240000000000, -0.0006426000000000 ] - [ -0.0004635500000000, 0.0067208200000000, 0.0005233400000000 ] - [ -0.0000086800000000, 0.0000453800000000, 0.0007726400000000 ] - [ -0.0000192200000000, -0.0001389600000000, 0.0006155700000000 ] - [ -0.0001160500000000, -0.0001471300000000, 0.0008880000000000 ] - [ -0.0001305000000000, 0.0004373800000000, -0.0003595500000000 ] - [ 0.0000346000000000, 0.0004703200000000, -0.0010231800000000 ] - [ -0.0010703900000000, -0.0020498400000000, 0.0004159400000000 ] - [ -0.0006911000000000, -0.0003471100000000, -0.0001140100000000 ] - [ 0.0016145700000000, 0.0073341100000000, 0.0052979800000000 ] - [ 0.0005005200000000, 0.0003115400000000, 0.0001047700000000 ] - [ -0.0005845900000000, 0.0000769800000000, -0.0000590800000000 ] - [ 0.0001625800000000, -0.0007860300000000, -0.0002775700000000 ] - [ 0.0005457000000000, -0.0000887800000000, -0.0000978300000000 ] - [ 0.0004885400000000, 0.0008835200000000, -0.0002650600000000 ] - [ -0.0042284600000000, 0.0078687500000000, -0.0000387100000000 ] - [ 0.0002491400000000, -0.0005066600000000, 0.0001128700000000 ] - [ 0.0013221000000000, 0.0070291400000000, -0.0005188400000000 ] - [ -0.0002507700000000, 0.0006227000000000, 0.0001374200000000 ] - [ 0.0009148000000000, -0.0006369800000000, -0.0004075100000000 ] - [ 0.0002521900000000, 0.0004580500000000, -0.0003181800000000 ] - [ -0.0017065200000000, -0.0019735500000000, -0.0003388700000000 ] - [ -0.0002685800000000, -0.0005647200000000, -0.0003323400000000 ] - [ -0.0003646500000000, 0.0009075800000000, 0.0001621300000000 ] - [ -0.0002478400000000, 0.0015563000000000, -0.0005420000000000 ] - [ 0.0003636000000000, -0.0002499100000000, 0.0002944400000000 ] - [ 0.0003808200000000, -0.0002660200000000, -0.0013998500000000 ] - [ -0.0006006800000000, -0.0011408300000000, -0.0004198300000000 ] - [ -0.0003509200000000, -0.0007924200000000, 0.0003611700000000 ] - [ 0.0002121000000000, 0.0000695400000000, 0.0001816500000000 ] - [ 0.0003664800000000, 0.0002435200000000, 0.0003108700000000 ] - [ 0.0000515300000000, 0.0000715600000000, -0.0000583900000000 ] - [ -0.0001350500000000, -0.0018624500000000, -0.0004490200000000 ] - [ 0.0001106500000000, -0.0001060900000000, -0.0002895600000000 ] - [ -0.0007131900000000, 0.0069997300000000, -0.0034003900000000 ] - [ 0.0001023800000000, -0.0009082300000000, 0.0002068700000000 ] - [ 0.0001333400000000, -0.0003562600000000, -0.0001230800000000 ] - [ -0.0006866500000000, 0.0012337900000000, 0.0001669200000000 ] - [ -0.0000534000000000, 0.0003857500000000, -0.0000823600000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000377000000000, -0.0017189400000000, -0.0004128000000000 ] - [ 0.0002868000000000, -0.0007818600000000, -0.0000250700000000 ] - [ -0.0032836900000000, -0.0005714600000000, -0.0020511800000000 ] - [ -0.0003915100000000, 0.0007065800000000, 0.0000046700000000 ] - [ 0.0003241600000000, 0.0003960900000000, 0.0000558000000000 ] - [ 0.0020348900000000, -0.0021605900000000, -0.0028719200000000 ] - [ -0.0002308000000000, -0.0003190800000000, -0.0000029000000000 ] - [ -0.0006869300000000, 0.0053084300000000, -0.0024622000000000 ] - [ -0.0027285100000000, 0.0384932800000000, 0.0026795100000000 ] - [ 0.0001156600000000, 0.0001195100000000, 0.0003014500000000 ] - [ -0.0015529000000000, -0.0102750900000000, 0.0004045000000000 ] - [ -0.0001431800000000, -0.0000708500000000, 0.0003032100000000 ] - [ 0.0000110200000000, 0.0002014400000000, -0.0001865500000000 ] - [ 0.0001257200000000, -0.0000627800000000, -0.0004104400000000 ] - [ -0.0001239800000000, -0.0004954900000000, -0.0001813400000000 ] - [ -0.0001342100000000, 0.0000337800000000, -0.0004120700000000 ] - [ -0.0001554600000000, -0.0002308500000000, 0.0000454100000000 ] - [ -0.0002839300000000, -0.0002345900000000, -0.0008134400000000 ] - [ 0.0001962600000000, 0.0006990100000000, -0.0002910200000000 ] - [ -0.0000191500000000, 0.0007444500000000, -0.0004426000000000 ] - [ -0.0001775100000000, -0.0001059900000000, 0.0003558500000000 ] - [ -0.0000933100000000, -0.0001060700000000, 0.0002513200000000 ] - [ 0.0000793900000000, -0.0000612500000000, 0.0001563300000000 ] - [ 0.0001321600000000, -0.0000609200000000, 0.0004457500000000 ] - [ 0.0003006300000000, 0.0001571200000000, -0.0001385000000000 ] - [ 0.0001600900000000, -0.0004598000000000, 0.0004081400000000 ] - [ -0.0002709100000000, -0.0002517500000000, -0.0000930800000000 ] - [ 0.0003234800000000, -0.0006394400000000, 0.0005704100000000 ] - [ -0.0009207700000000, -0.0008259000000000, 0.0010580100000000 ] - [ 0.0002832600000000, -0.0002638000000000, -0.0001003600000000 ] - [ 0.0019711700000000, 0.0020416500000000, 0.0022740100000000 ] - [ -0.0002930800000000, 0.0003704500000000, -0.0001572300000000 ] - [ 0.0002378400000000, -0.0001114400000000, -0.0002087200000000 ] - [ -0.0020358800000000, 0.0014538100000000, 0.0018735700000000 ] - [ -0.0003078700000000, 0.0001788300000000, -0.0000130700000000 ] - [ -0.0005513300000000, -0.0003456200000000, -0.0001859000000000 ] - [ 0.0028235400000000, 0.0009800000000000, -0.0019226000000000 ] - [ 0.0003641000000000, 0.0002885100000000, 0.0000739400000000 ] - [ -0.0000201500000000, -0.0011969400000000, 0.0003586300000000 ] - [ -0.0002844300000000, -0.0003633600000000, -0.0001542900000000 ] - [ 0.0002086900000000, 0.0002298600000000, -0.0005462600000000 ] - [ 0.0000172900000000, 0.0000231100000000, -0.0007755200000000 ] - [ 0.0004698300000000, -0.0068072300000000, 0.0008963300000000 ] - [ 0.0000082400000000, -0.0000459900000000, 0.0006442300000000 ] - [ 0.0000194400000000, 0.0001372600000000, 0.0008030100000000 ] - [ 0.0001149800000000, 0.0001455000000000, 0.0005304900000000 ] - [ 0.0001286000000000, -0.0004349300000000, -0.0010618400000000 ] - [ -0.0000336800000000, -0.0004683500000000, -0.0003905000000000 ] - [ -0.0001528400000000, 0.0016231400000000, -0.0004019800000000 ] - [ -0.0005260200000000, -0.0000729500000000, 0.0001140800000000 ] - [ -0.0004684100000000, -0.0070317600000000, -0.0055545300000000 ] - [ 0.0007149500000000, 0.0001044800000000, -0.0001031400000000 ] - [ -0.0006321900000000, 0.0003388500000000, 0.0000590000000000 ] - [ -0.0013789600000000, 0.0012100100000000, 0.0002812900000000 ] - [ 0.0006708200000000, -0.0003299700000000, 0.0000984400000000 ] - [ 0.0007290700000000, -0.0013059200000000, 0.0002642700000000 ] - [ 0.0043729500000000, -0.0086192800000000, 0.0005128600000000 ] - [ 0.0002595400000000, -0.0005581500000000, 0.0003258400000000 ] - [ -0.0016391400000000, -0.0058505700000000, 0.0009757300000000 ] - [ -0.0002569400000000, 0.0004431400000000, 0.0003008000000000 ] - [ -0.0004180000000000, 0.0017021500000000, -0.0000339200000000 ] - [ 0.0002550800000000, 0.0006055800000000, -0.0001189500000000 ] - [ 0.0012139800000000, 0.0009107100000000, -0.0000891800000000 ] - [ -0.0002395300000000, -0.0005018300000000, -0.0001062000000000 ] - [ -0.0001429900000000, 0.0001599100000000, -0.0005995300000000 ] - [ -0.0002621400000000, -0.0004886400000000, 0.0001042500000000 ] - [ 0.0001444100000000, -0.0008147900000000, -0.0007303400000000 ] - [ 0.0001280500000000, -0.0007941800000000, 0.0009607600000000 ] - [ 0.0000892100000000, 0.0000688400000000, 0.0008571700000000 ] - [ -0.0001560400000000, -0.0002752900000000, 0.0000771200000000 ] - [ 0.0002948100000000, 0.0009888500000000, 0.0002636200000000 ] - [ 0.0001405300000000, 0.0008188400000000, 0.0001269700000000 ] - [ 0.0000555400000000, 0.0004120500000000, 0.0000601100000000 ] - [ 0.0002519900000000, 0.0023474500000000, 0.0004361000000000 ] - [ -0.0002149900000000, -0.0003799300000000, 0.0002887900000000 ] - [ 0.0006928800000000, -0.0075914900000000, 0.0036163200000000 ] - [ -0.0000002900000000, 0.0004275400000000, -0.0002079600000000 ] - [ -0.0000263400000000, -0.0001305100000000, 0.0001240200000000 ] - [ 0.0005774400000000, -0.0007531100000000, -0.0001676700000000 ] - [ -0.0000528300000000, 0.0000985300000000, 0.0000826800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000817600000000, -0.0003731100000000, -0.0007193000000000 ] - [ 0.0003568600000000, -0.0005726500000000, 0.0006946700000000 ] - [ 0.0033635000000000, 0.0033034100000000, -0.0001293800000000 ] - [ -0.0004762600000000, 0.0004671500000000, 0.0008104500000000 ] - [ 0.0003677600000000, 0.0003754700000000, 0.0010079100000000 ] - [ -0.0013320700000000, 0.0025027000000000, -0.0005599700000000 ] - [ -0.0004614900000000, -0.0004799200000000, 0.0010890100000000 ] - [ 0.0123950000000000, 0.0020796900000000, 0.0048383800000000 ] - [ -0.0105322100000000, -0.0017729000000000, -0.0434955300000000 ] - [ 0.0001648800000000, 0.0001226800000000, 0.0007606800000000 ] - [ -0.0001750500000000, -0.0000412500000000, -0.0022940400000000 ] - [ -0.0001576900000000, -0.0001202700000000, 0.0007045200000000 ] - [ 0.0002070200000000, -0.0002368000000000, -0.0012093900000000 ] - [ 0.0001110000000000, -0.0000139500000000, -0.0000279900000000 ] - [ -0.0000841400000000, 0.0002406900000000, -0.0006409800000000 ] - [ -0.0001069500000000, 0.0000118500000000, -0.0000563100000000 ] - [ -0.0001758500000000, -0.0004690400000000, -0.0000538800000000 ] - [ -0.0001198300000000, 0.0003946400000000, -0.0000191300000000 ] - [ 0.0001149900000000, 0.0001235900000000, 0.0020259400000000 ] - [ 0.0001922900000000, -0.0000194100000000, 0.0022969000000000 ] - [ -0.0000522000000000, 0.0001726500000000, 0.0003523500000000 ] - [ -0.0001480800000000, 0.0000672100000000, 0.0003513500000000 ] - [ 0.0001509500000000, 0.0000211000000000, 0.0006293200000000 ] - [ 0.0001299400000000, -0.0002681900000000, 0.0006289800000000 ] - [ 0.0003204600000000, 0.0002562700000000, 0.0003714700000000 ] - [ 0.0000431300000000, 0.0000299700000000, -0.0003661800000000 ] - [ -0.0003535900000000, -0.0001705000000000, 0.0003209800000000 ] - [ 0.0002285300000000, -0.0009149400000000, -0.0002076800000000 ] - [ -0.0009124900000000, -0.0013087600000000, -0.0001466200000000 ] - [ 0.0003163600000000, -0.0001777100000000, 0.0004844600000000 ] - [ 0.0056266500000000, -0.0020285500000000, 0.0028940200000000 ] - [ -0.0003417100000000, 0.0002496400000000, 0.0005014300000000 ] - [ 0.0004066000000000, -0.0001939100000000, 0.0005398500000000 ] - [ -0.0049101700000000, -0.0020262200000000, 0.0015700700000000 ] - [ -0.0003328900000000, 0.0001425100000000, 0.0002864800000000 ] - [ -0.0000949500000000, 0.0005173900000000, -0.0002443600000000 ] - [ -0.0038559800000000, 0.0021357700000000, 0.0012127400000000 ] - [ 0.0003918200000000, 0.0001667000000000, 0.0005873500000000 ] - [ -0.0001448300000000, -0.0002034600000000, -0.0003259200000000 ] - [ -0.0003176800000000, -0.0002045200000000, 0.0003551100000000 ] - [ 0.0001100600000000, -0.0000095800000000, -0.0013771200000000 ] - [ 0.0000007200000000, 0.0000017200000000, -0.0003178700000000 ] - [ -0.0001294900000000, -0.0000348900000000, -0.0012391600000000 ] - [ 0.0000042800000000, -0.0000016200000000, 0.0011124900000000 ] - [ 0.0000554700000000, -0.0001837200000000, 0.0007782700000000 ] - [ 0.0000358600000000, 0.0001894700000000, 0.0008992400000000 ] - [ -0.0001418200000000, 0.0004698100000000, -0.0002714000000000 ] - [ -0.0000289300000000, -0.0005142900000000, -0.0002633600000000 ] - [ -0.0002830800000000, 0.0000491500000000, 0.0005365500000000 ] - [ -0.0006266600000000, -0.0002411600000000, -0.0005522200000000 ] - [ 0.0022986000000000, 0.0045215300000000, 0.0125556900000000 ] - [ 0.0007637900000000, 0.0003219900000000, -0.0008626500000000 ] - [ -0.0007787800000000, 0.0003134900000000, -0.0004726100000000 ] - [ -0.0004953900000000, 0.0000074700000000, 0.0005230600000000 ] - [ 0.0007046500000000, -0.0003036600000000, -0.0005277400000000 ] - [ -0.0003438200000000, -0.0000792500000000, 0.0005645900000000 ] - [ -0.0000774400000000, -0.0001707000000000, 0.0052848700000000 ] - [ 0.0002650200000000, -0.0006291500000000, -0.0006477600000000 ] - [ -0.0006353000000000, -0.0001066000000000, 0.0058514300000000 ] - [ -0.0002655100000000, 0.0006684300000000, -0.0006923800000000 ] - [ 0.0002248300000000, 0.0005647300000000, 0.0010049900000000 ] - [ 0.0002410000000000, 0.0004398500000000, -0.0008969800000000 ] - [ -0.0007519400000000, -0.0011408200000000, 0.0018702200000000 ] - [ -0.0002146600000000, -0.0003988700000000, -0.0009803300000000 ] - [ 0.0003865800000000, 0.0008967800000000, -0.0014792600000000 ] - [ -0.0009980500000000, -0.0004107600000000, -0.0011177400000000 ] - [ -0.0002536600000000, 0.0002776700000000, -0.0014749600000000 ] - [ 0.0010825900000000, -0.0017230500000000, -0.0008248600000000 ] - [ -0.0009357200000000, -0.0013534000000000, -0.0005282300000000 ] - [ -0.0000536100000000, -0.0002340100000000, -0.0003027400000000 ] - [ 0.0004117300000000, 0.0000633100000000, 0.0001825900000000 ] - [ 0.0000449500000000, 0.0009260300000000, -0.0002559300000000 ] - [ 0.0001126700000000, 0.0003129100000000, -0.0005304800000000 ] - [ 0.0002981300000000, -0.0000875200000000, 0.0005212100000000 ] - [ 0.0000714900000000, -0.0003336600000000, -0.0008236800000000 ] - [ 0.0013233100000000, -0.0038999400000000, 0.0099504900000000 ] - [ 0.0000789000000000, -0.0003755000000000, 0.0005131400000000 ] - [ -0.0000037000000000, -0.0002906200000000, -0.0004782800000000 ] - [ -0.0011904900000000, 0.0004352900000000, 0.0005209200000000 ] - [ -0.0000264400000000, 0.0002781200000000, -0.0005697800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0007004500000000, -0.0008675600000000, 0.0007229300000000 ] - [ 0.0002581100000000, -0.0006642700000000, -0.0006992400000000 ] - [ -0.0039680400000000, -0.0020741400000000, 0.0001228300000000 ] - [ -0.0001400800000000, 0.0007698100000000, -0.0008112200000000 ] - [ 0.0002477900000000, 0.0008663200000000, -0.0010104900000000 ] - [ 0.0019382900000000, -0.0012528700000000, 0.0005393100000000 ] - [ -0.0001539400000000, -0.0007636600000000, -0.0010941700000000 ] - [ -0.0128779100000000, -0.0033203600000000, -0.0048236900000000 ] - [ 0.0106724600000000, 0.0028368000000000, 0.0442991900000000 ] - [ 0.0000935700000000, 0.0000038600000000, -0.0000417600000000 ] - [ -0.0000882100000000, -0.0001264600000000, 0.0030161200000000 ] - [ -0.0001000500000000, -0.0000056700000000, 0.0000154400000000 ] - [ 0.0000505100000000, 0.0001082300000000, 0.0004921600000000 ] - [ 0.0001474600000000, -0.0001134900000000, -0.0006917500000000 ] - [ -0.0001736500000000, -0.0001140600000000, -0.0000761500000000 ] - [ -0.0001507700000000, 0.0001161900000000, -0.0006624300000000 ] - [ -0.0000812500000000, 0.0003472600000000, -0.0006673000000000 ] - [ -0.0001362000000000, -0.0005165900000000, -0.0006980000000000 ] - [ 0.0001400100000000, -0.0000073400000000, -0.0027765500000000 ] - [ 0.0000720500000000, 0.0001383700000000, -0.0029790700000000 ] - [ -0.0002051500000000, -0.0000447700000000, 0.0003679100000000 ] - [ -0.0001094200000000, 0.0000602700000000, 0.0003665900000000 ] - [ 0.0001083900000000, -0.0001500000000000, 0.0000911900000000 ] - [ 0.0001279200000000, 0.0001404700000000, 0.0000905600000000 ] - [ 0.0002685100000000, 0.0002284300000000, -0.0003707300000000 ] - [ 0.0005447900000000, 0.0004534300000000, 0.0003656200000000 ] - [ -0.0002367300000000, -0.0003130100000000, -0.0003192000000000 ] - [ -0.0008200800000000, 0.0004310800000000, 0.0002077400000000 ] - [ 0.0015117400000000, 0.0008337900000000, 0.0001519100000000 ] - [ 0.0002749100000000, -0.0003034700000000, -0.0004834000000000 ] - [ -0.0062779900000000, 0.0025258000000000, -0.0028957300000000 ] - [ -0.0002480700000000, 0.0002327300000000, -0.0004982700000000 ] - [ 0.0001898600000000, -0.0002663700000000, -0.0005388600000000 ] - [ 0.0054647700000000, 0.0015519600000000, -0.0015776600000000 ] - [ -0.0002621900000000, 0.0003158700000000, -0.0002863700000000 ] - [ -0.0005003600000000, -0.0000591900000000, 0.0002430500000000 ] - [ 0.0044833900000000, -0.0016975400000000, -0.0012061500000000 ] - [ 0.0002043300000000, 0.0002886600000000, -0.0005885800000000 ] - [ -0.0004509300000000, -0.0002527900000000, 0.0003291400000000 ] - [ -0.0002773100000000, -0.0002525000000000, -0.0003544100000000 ] - [ -0.0001084700000000, 0.0000096800000000, -0.0000410100000000 ] - [ -0.0000001300000000, -0.0000019500000000, -0.0010995200000000 ] - [ 0.0001290400000000, 0.0000548700000000, 0.0026567900000000 ] - [ -0.0000043300000000, 0.0000008600000000, 0.0003046700000000 ] - [ -0.0000552000000000, 0.0001837800000000, 0.0006410900000000 ] - [ -0.0000365200000000, -0.0001895600000000, 0.0005189900000000 ] - [ 0.0001402000000000, -0.0004701700000000, -0.0011449000000000 ] - [ 0.0000308000000000, 0.0005133200000000, -0.0011533900000000 ] - [ -0.0009296300000000, -0.0004704400000000, -0.0005407000000000 ] - [ -0.0005889500000000, -0.0001800700000000, 0.0005546700000000 ] - [ -0.0012846500000000, -0.0045541900000000, -0.0131725200000000 ] - [ 0.0004525400000000, 0.0000964600000000, 0.0008637600000000 ] - [ -0.0004359200000000, 0.0000999300000000, 0.0004719200000000 ] - [ -0.0007201600000000, 0.0004111900000000, -0.0005171300000000 ] - [ 0.0005108200000000, -0.0001117200000000, 0.0005287700000000 ] - [ 0.0015616600000000, -0.0003379000000000, -0.0005599400000000 ] - [ 0.0006110100000000, -0.0009248300000000, -0.0048530000000000 ] - [ 0.0002437400000000, -0.0004352300000000, 0.0010880600000000 ] - [ 0.0001130300000000, 0.0011482500000000, -0.0054034400000000 ] - [ -0.0002408000000000, 0.0003976300000000, 0.0011328600000000 ] - [ 0.0002854100000000, 0.0004975300000000, -0.0014491900000000 ] - [ 0.0002658500000000, 0.0006243100000000, 0.0004602600000000 ] - [ 0.0002428900000000, 0.0000760100000000, -0.0023084600000000 ] - [ -0.0002922200000000, -0.0006664800000000, 0.0005411100000000 ] - [ -0.0009006600000000, 0.0001650600000000, 0.0010531200000000 ] - [ 0.0004835700000000, 0.0014748000000000, 0.0006789100000000 ] - [ 0.0007659100000000, -0.0013501400000000, 0.0010472300000000 ] - [ -0.0005653400000000, 0.0006452000000000, 0.0003838300000000 ] - [ 0.0004236600000000, 0.0002820800000000, 0.0009603200000000 ] - [ -0.0004530600000000, -0.0008300200000000, 0.0007432200000000 ] - [ 0.0000967100000000, 0.0010010900000000, 0.0002581500000000 ] - [ 0.0004633300000000, 0.0001362400000000, 0.0006985400000000 ] - [ -0.0000066600000000, 0.0001682700000000, 0.0005309100000000 ] - [ -0.0001920800000000, 0.0005712600000000, -0.0005131800000000 ] - [ -0.0001748100000000, -0.0001484700000000, 0.0008245500000000 ] - [ -0.0012131200000000, 0.0030778100000000, -0.0094663400000000 ] - [ 0.0000262100000000, -0.0001107300000000, -0.0005162400000000 ] - [ 0.0001110600000000, -0.0001974700000000, 0.0004800300000000 ] - [ 0.0010839600000000, 0.0000524600000000, -0.0005237200000000 ] - [ -0.0000796900000000, 0.0002080700000000, 0.0005704100000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010656600000000, -0.0004506100000000, -0.0001651500000000 ] - [ 0.0010656600000000, -0.0004506100000000, 0.0001651500000000 ] - [ -0.0005140500000000, 0.0002107100000000, -0.0003080900000000 ] - [ -0.0005140500000000, 0.0002107100000000, 0.0003080900000000 ] - [ -0.0077217700000000, -0.0034137100000000, 0.0000000000000000 ] - [ 0.0002271800000000, 0.0006487800000000, 0.0000000000000000 ] - [ 0.0013270500000000, -0.0002562500000000, 0.0000000000000000 ] - [ -0.0002590200000000, -0.0006484400000000, 0.0000000000000000 ] - [ 0.0001341700000000, 0.0000581500000000, 0.0003854800000000 ] - [ 0.0000775800000000, 0.0001964400000000, 0.0001085900000000 ] - [ -0.0001446200000000, -0.0000890000000000, 0.0004183300000000 ] - [ 0.0003080000000000, -0.0006812900000000, -0.0001626900000000 ] - [ 0.0001596700000000, -0.0000769300000000, -0.0003795900000000 ] - [ 0.0009464200000000, -0.0012800700000000, 0.0008461600000000 ] - [ -0.0001289700000000, 0.0000673500000000, -0.0004053400000000 ] - [ 0.0038299400000000, 0.0023091300000000, 0.0055593900000000 ] - [ 0.0003080000000000, -0.0006812900000000, 0.0001626900000000 ] - [ -0.0001446200000000, -0.0000890000000000, -0.0004183300000000 ] - [ 0.0000775800000000, 0.0001964400000000, -0.0001085900000000 ] - [ 0.0001341700000000, 0.0000581500000000, -0.0003854800000000 ] - [ 0.0038299400000000, 0.0023091300000000, -0.0055593900000000 ] - [ -0.0001289700000000, 0.0000673500000000, 0.0004053400000000 ] - [ 0.0009464200000000, -0.0012800700000000, -0.0008461600000000 ] - [ 0.0001596700000000, -0.0000769300000000, 0.0003795900000000 ] - [ -0.0305693000000000, 0.0061324100000000, 0.0000000000000000 ] - [ 0.0002595100000000, 0.0002648300000000, 0.0000000000000000 ] - [ 0.0011026800000000, -0.0003943000000000, 0.0000000000000000 ] - [ -0.0002718600000000, -0.0002452700000000, 0.0000000000000000 ] - [ 0.0004477200000000, -0.0002569700000000, 0.0000540500000000 ] - [ 0.0004477200000000, -0.0002569700000000, -0.0000540500000000 ] - [ -0.0003823000000000, 0.0002134600000000, 0.0000437700000000 ] - [ -0.0003823000000000, 0.0002134600000000, -0.0000437700000000 ] - [ -0.0015138900000000, -0.0003535100000000, 0.0000000000000000 ] - [ 0.0002682400000000, -0.0002578500000000, 0.0000000000000000 ] - [ 0.0012114500000000, 0.0003997300000000, 0.0000000000000000 ] - [ -0.0002467800000000, 0.0002347300000000, 0.0000000000000000 ] - [ 0.0004729100000000, 0.0002497200000000, 0.0000942400000000 ] - [ 0.0004729100000000, 0.0002497200000000, -0.0000942400000000 ] - [ -0.0008370100000000, -0.0002350300000000, 0.0002488600000000 ] - [ -0.0008370100000000, -0.0002350300000000, -0.0002488600000000 ] - [ -0.0000040100000000, 0.0000136000000000, -0.0007378600000000 ] - [ 0.0000704300000000, 0.0002728800000000, -0.0005179300000000 ] - [ -0.0000352100000000, 0.0000300800000000, 0.0007979900000000 ] - [ 0.0044532500000000, 0.0017940100000000, -0.0040273200000000 ] - [ 0.0000704300000000, 0.0002728800000000, 0.0005179300000000 ] - [ -0.0000040100000000, 0.0000136000000000, 0.0007378600000000 ] - [ 0.0044532500000000, 0.0017940100000000, 0.0040273200000000 ] - [ -0.0000352100000000, 0.0000300800000000, -0.0007979900000000 ] - [ -0.0011619400000000, -0.0001071100000000, -0.0006178700000000 ] - [ -0.0011619400000000, -0.0001071100000000, 0.0006178700000000 ] - [ 0.0012149600000000, 0.0002521900000000, -0.0002666900000000 ] - [ 0.0012149600000000, 0.0002521900000000, 0.0002666900000000 ] - [ 0.0040257800000000, -0.0018109000000000, 0.0000000000000000 ] - [ -0.0005584400000000, 0.0001717400000000, 0.0000000000000000 ] - [ -0.0006353000000000, 0.0007019200000000, 0.0000000000000000 ] - [ 0.0005542600000000, -0.0001864200000000, 0.0000000000000000 ] - [ 0.0003137500000000, -0.0005308500000000, 0.0001750400000000 ] - [ 0.0014443100000000, -0.0000347200000000, 0.0005461500000000 ] - [ -0.0003130100000000, 0.0005590200000000, 0.0001826400000000 ] - [ -0.0008591000000000, 0.0005180400000000, 0.0004428200000000 ] - [ 0.0001401300000000, 0.0005213000000000, -0.0001684100000000 ] - [ -0.0014870000000000, 0.0006813400000000, -0.0008237700000000 ] - [ -0.0002328100000000, -0.0005182000000000, 0.0000002700000000 ] - [ 0.0036831500000000, -0.0017895600000000, 0.0024700500000000 ] - [ -0.0008591000000000, 0.0005180400000000, -0.0004428200000000 ] - [ -0.0003130100000000, 0.0005590200000000, -0.0001826400000000 ] - [ 0.0014443100000000, -0.0000347200000000, -0.0005461500000000 ] - [ 0.0003137500000000, -0.0005308500000000, -0.0001750400000000 ] - [ 0.0036831500000000, -0.0017895600000000, -0.0024700500000000 ] - [ -0.0002328100000000, -0.0005182000000000, -0.0000002700000000 ] - [ -0.0014870000000000, 0.0006813400000000, 0.0008237700000000 ] - [ 0.0001401300000000, 0.0005213000000000, 0.0001684100000000 ] - [ 0.0097708900000000, -0.0026448100000000, 0.0000000000000000 ] - [ 0.0001080800000000, 0.0002321500000000, 0.0000000000000000 ] - [ -0.0016659500000000, -0.0020622700000000, 0.0000000000000000 ] - [ -0.0000690100000000, -0.0002425500000000, 0.0000000000000000 ] - [ -0.0003210100000000, -0.0003479100000000, 0.0004469600000000 ] - [ -0.0003210100000000, -0.0003479100000000, -0.0004469600000000 ] - [ -0.0000129200000000, 0.0003158300000000, 0.0001461400000000 ] - [ -0.0000129200000000, 0.0003158300000000, -0.0001461400000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004477800000000, -0.0007946400000000, 0.0001765500000000 ] - [ -0.0004477800000000, -0.0007946400000000, -0.0001765500000000 ] - [ -0.0001056500000000, 0.0010202000000000, 0.0002978200000000 ] - [ -0.0001056500000000, 0.0010202000000000, -0.0002978200000000 ] - [ 0.0083120100000000, 0.0047403100000000, 0.0000000000000000 ] - [ 0.0003882200000000, 0.0005895100000000, 0.0000000000000000 ] - [ -0.0019406900000000, -0.0009720200000000, 0.0000000000000000 ] - [ -0.0003554600000000, -0.0005906500000000, 0.0000000000000000 ] - [ 0.0001244200000000, 0.0000690400000000, 0.0003337400000000 ] - [ 0.0001777300000000, -0.0000666400000000, 0.0006102100000000 ] - [ -0.0001138700000000, -0.0000382000000000, 0.0003012000000000 ] - [ -0.0005660400000000, 0.0005513200000000, 0.0008855100000000 ] - [ 0.0001011500000000, -0.0000504100000000, -0.0003380900000000 ] - [ -0.0006860200000000, 0.0011673500000000, -0.0015788000000000 ] - [ -0.0001269600000000, 0.0000618400000000, -0.0003114400000000 ] - [ -0.0040990100000000, -0.0022119600000000, -0.0063446900000000 ] - [ -0.0005660400000000, 0.0005513200000000, -0.0008855100000000 ] - [ -0.0001138700000000, -0.0000382000000000, -0.0003012000000000 ] - [ 0.0001777300000000, -0.0000666400000000, -0.0006102100000000 ] - [ 0.0001244200000000, 0.0000690400000000, -0.0003337400000000 ] - [ -0.0040990100000000, -0.0022119600000000, 0.0063446900000000 ] - [ -0.0001269600000000, 0.0000618400000000, 0.0003114400000000 ] - [ -0.0006860200000000, 0.0011673500000000, 0.0015788000000000 ] - [ 0.0001011500000000, -0.0000504100000000, 0.0003380900000000 ] - [ 0.0307166800000000, -0.0050663800000000, 0.0000000000000000 ] - [ 0.0003259700000000, 0.0002225700000000, 0.0000000000000000 ] - [ -0.0016961600000000, -0.0000828800000000, 0.0000000000000000 ] - [ -0.0003143300000000, -0.0002395000000000, 0.0000000000000000 ] - [ 0.0001412500000000, -0.0002276200000000, -0.0000539500000000 ] - [ 0.0001412500000000, -0.0002276200000000, 0.0000539500000000 ] - [ -0.0002065100000000, 0.0002699500000000, -0.0000444400000000 ] - [ -0.0002065100000000, 0.0002699500000000, 0.0000444400000000 ] - [ 0.0021111600000000, -0.0001313500000000, 0.0000000000000000 ] - [ 0.0003276400000000, -0.0002015700000000, 0.0000000000000000 ] - [ -0.0018124000000000, 0.0000481600000000, 0.0000000000000000 ] - [ -0.0003482100000000, 0.0002233900000000, 0.0000000000000000 ] - [ 0.0001243500000000, 0.0002099200000000, -0.0000921200000000 ] - [ 0.0001243500000000, 0.0002099200000000, 0.0000921200000000 ] - [ 0.0002400300000000, -0.0002209300000000, -0.0002526600000000 ] - [ 0.0002400300000000, -0.0002209300000000, 0.0002526600000000 ] - [ 0.0000050400000000, -0.0000142300000000, -0.0006809800000000 ] - [ -0.0000679500000000, -0.0002727500000000, -0.0008985800000000 ] - [ 0.0000333200000000, -0.0000296000000000, 0.0006198700000000 ] - [ -0.0044250500000000, -0.0017742400000000, 0.0053888400000000 ] - [ -0.0000679500000000, -0.0002727500000000, 0.0008985800000000 ] - [ 0.0000050400000000, -0.0000142300000000, 0.0006809800000000 ] - [ -0.0044250500000000, -0.0017742400000000, -0.0053888400000000 ] - [ 0.0000333200000000, -0.0000296000000000, -0.0006198700000000 ] - [ -0.0000477400000000, -0.0003072200000000, 0.0006135800000000 ] - [ -0.0000477400000000, -0.0003072200000000, -0.0006135800000000 ] - [ 0.0000087400000000, 0.0001668400000000, 0.0002660900000000 ] - [ 0.0000087400000000, 0.0001668400000000, -0.0002660900000000 ] - [ -0.0053810700000000, 0.0020615300000000, 0.0000000000000000 ] - [ -0.0006552600000000, 0.0002479100000000, 0.0000000000000000 ] - [ 0.0018481800000000, -0.0011331900000000, 0.0000000000000000 ] - [ 0.0006574800000000, -0.0002329000000000, 0.0000000000000000 ] - [ 0.0001958900000000, -0.0005317400000000, 0.0002628300000000 ] - [ -0.0009344200000000, -0.0010278200000000, -0.0001103000000000 ] - [ -0.0001949200000000, 0.0005048000000000, 0.0002549800000000 ] - [ 0.0003523900000000, 0.0005416700000000, -0.0000045000000000 ] - [ 0.0003673000000000, 0.0005408600000000, -0.0002738300000000 ] - [ 0.0019999600000000, 0.0003826100000000, 0.0003999300000000 ] - [ -0.0002756300000000, -0.0005462200000000, -0.0004317600000000 ] - [ -0.0041535800000000, 0.0006961100000000, -0.0028564200000000 ] - [ 0.0003523900000000, 0.0005416700000000, 0.0000045000000000 ] - [ -0.0001949200000000, 0.0005048000000000, -0.0002549800000000 ] - [ -0.0009344200000000, -0.0010278200000000, 0.0001103000000000 ] - [ 0.0001958900000000, -0.0005317400000000, -0.0002628300000000 ] - [ -0.0041535800000000, 0.0006961100000000, 0.0028564200000000 ] - [ -0.0002756300000000, -0.0005462200000000, 0.0004317600000000 ] - [ 0.0019999600000000, 0.0003826100000000, -0.0003999300000000 ] - [ 0.0003673000000000, 0.0005408600000000, 0.0002738300000000 ] - [ -0.0091962300000000, 0.0027320200000000, 0.0000000000000000 ] - [ -0.0000020000000000, 0.0002521100000000, 0.0000000000000000 ] - [ 0.0015574300000000, 0.0015586300000000, 0.0000000000000000 ] - [ -0.0000358100000000, -0.0002425200000000, 0.0000000000000000 ] - [ 0.0004227300000000, -0.0001325300000000, -0.0004500600000000 ] - [ 0.0004227300000000, -0.0001325300000000, 0.0004500600000000 ] - [ -0.0000967300000000, 0.0001726700000000, -0.0001440700000000 ] - [ -0.0000967300000000, 0.0001726700000000, 0.0001440700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003257600000000, -0.0010217300000000, -0.0000671400000000 ] - [ 0.0003257600000000, -0.0010217300000000, 0.0000671400000000 ] - [ -0.0003729200000000, 0.0017698800000000, 0.0014173300000000 ] - [ -0.0003729200000000, 0.0017698800000000, -0.0014173300000000 ] - [ -0.0039758500000000, 0.0257883300000000, 0.0000000000000000 ] - [ 0.0003224200000000, 0.0005289500000000, 0.0000000000000000 ] - [ -0.0003757000000000, 0.0009161500000000, 0.0000000000000000 ] - [ -0.0003146300000000, -0.0005328800000000, 0.0000000000000000 ] - [ 0.0001421900000000, 0.0001482700000000, 0.0003735200000000 ] - [ 0.0001529300000000, 0.0007651600000000, 0.0001451800000000 ] - [ -0.0001269800000000, -0.0000534300000000, 0.0002881400000000 ] - [ -0.0007673400000000, 0.0003361000000000, 0.0010324400000000 ] - [ 0.0000280700000000, -0.0000423200000000, -0.0002955600000000 ] - [ -0.0010757400000000, 0.0005171800000000, -0.0014374200000000 ] - [ -0.0002206000000000, -0.0000648600000000, -0.0003668600000000 ] - [ 0.0019723800000000, -0.0017376000000000, 0.0019262500000000 ] - [ -0.0007673400000000, 0.0003361000000000, -0.0010324400000000 ] - [ -0.0001269800000000, -0.0000534300000000, -0.0002881400000000 ] - [ 0.0001529300000000, 0.0007651600000000, -0.0001451800000000 ] - [ 0.0001421900000000, 0.0001482700000000, -0.0003735200000000 ] - [ 0.0019723800000000, -0.0017376000000000, -0.0019262500000000 ] - [ -0.0002206000000000, -0.0000648600000000, 0.0003668600000000 ] - [ -0.0010757400000000, 0.0005171800000000, 0.0014374200000000 ] - [ 0.0000280700000000, -0.0000423200000000, 0.0002955600000000 ] - [ 0.0058640900000000, -0.0473227000000000, 0.0000000000000000 ] - [ 0.0003135900000000, 0.0001654300000000, 0.0000000000000000 ] - [ -0.0004508700000000, -0.0006937500000000, 0.0000000000000000 ] - [ -0.0002953700000000, -0.0002587100000000, 0.0000000000000000 ] - [ 0.0003090200000000, -0.0001674600000000, -0.0001232200000000 ] - [ 0.0003090200000000, -0.0001674600000000, 0.0001232200000000 ] - [ -0.0002665000000000, 0.0005419700000000, -0.0002750200000000 ] - [ -0.0002665000000000, 0.0005419700000000, 0.0002750200000000 ] - [ 0.0001779300000000, 0.0076413000000000, 0.0000000000000000 ] - [ 0.0003039200000000, -0.0001311600000000, 0.0000000000000000 ] - [ 0.0000003200000000, 0.0002634100000000, 0.0000000000000000 ] - [ -0.0002969400000000, 0.0002253300000000, 0.0000000000000000 ] - [ 0.0003176900000000, 0.0002802100000000, 0.0000560700000000 ] - [ 0.0003176900000000, 0.0002802100000000, -0.0000560700000000 ] - [ -0.0003130300000000, -0.0005704900000000, -0.0010303200000000 ] - [ -0.0003130300000000, -0.0005704900000000, 0.0010303200000000 ] - [ 0.0000038700000000, 0.0000833400000000, -0.0007773300000000 ] - [ 0.0003513200000000, 0.0008483300000000, -0.0003712100000000 ] - [ 0.0001130500000000, -0.0000832600000000, 0.0007540600000000 ] - [ 0.0019659800000000, -0.0016982100000000, -0.0005218600000000 ] - [ 0.0003513200000000, 0.0008483300000000, 0.0003712100000000 ] - [ 0.0000038700000000, 0.0000833400000000, 0.0007773300000000 ] - [ 0.0019659800000000, -0.0016982100000000, 0.0005218600000000 ] - [ 0.0001130500000000, -0.0000832600000000, -0.0007540600000000 ] - [ -0.0004763400000000, 0.0001017300000000, 0.0003160500000000 ] - [ -0.0004763400000000, 0.0001017300000000, -0.0003160500000000 ] - [ 0.0002909700000000, -0.0003513500000000, -0.0002477300000000 ] - [ 0.0002909700000000, -0.0003513500000000, 0.0002477300000000 ] - [ -0.0016123400000000, 0.0021363700000000, 0.0000000000000000 ] - [ -0.0005758300000000, 0.0002976200000000, 0.0000000000000000 ] - [ 0.0017343700000000, -0.0015764100000000, 0.0000000000000000 ] - [ 0.0006782900000000, -0.0002667500000000, 0.0000000000000000 ] - [ 0.0002499900000000, -0.0006048400000000, 0.0003417200000000 ] - [ 0.0006136100000000, -0.0027938600000000, -0.0011346000000000 ] - [ -0.0002610100000000, 0.0004331000000000, 0.0002693400000000 ] - [ -0.0001213900000000, -0.0004207400000000, 0.0004114100000000 ] - [ 0.0003105700000000, 0.0007109800000000, -0.0001201900000000 ] - [ 0.0003206700000000, 0.0012630200000000, -0.0003158600000000 ] - [ -0.0002104200000000, -0.0004210500000000, -0.0007791500000000 ] - [ -0.0016843300000000, 0.0064783200000000, -0.0076406300000000 ] - [ -0.0001213900000000, -0.0004207400000000, -0.0004114100000000 ] - [ -0.0002610100000000, 0.0004331000000000, -0.0002693400000000 ] - [ 0.0006136100000000, -0.0027938600000000, 0.0011346000000000 ] - [ 0.0002499900000000, -0.0006048400000000, -0.0003417200000000 ] - [ -0.0016843300000000, 0.0064783200000000, 0.0076406300000000 ] - [ -0.0002104200000000, -0.0004210500000000, 0.0007791500000000 ] - [ 0.0003206700000000, 0.0012630200000000, 0.0003158600000000 ] - [ 0.0003105700000000, 0.0007109800000000, 0.0001201900000000 ] - [ -0.0027899300000000, 0.0065936300000000, 0.0000000000000000 ] - [ 0.0000081300000000, 0.0003354300000000, 0.0000000000000000 ] - [ -0.0017117700000000, -0.0015563700000000, 0.0000000000000000 ] - [ -0.0001261700000000, -0.0002880000000000, 0.0000000000000000 ] - [ -0.0001329100000000, -0.0000023800000000, 0.0004948300000000 ] - [ -0.0001329100000000, -0.0000023800000000, -0.0004948300000000 ] - [ 0.0001225900000000, -0.0003766400000000, -0.0001191500000000 ] - [ 0.0001225900000000, -0.0003766400000000, 0.0001191500000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002907700000000, -0.0002140000000000, 0.0000677700000000 ] - [ 0.0002907700000000, -0.0002140000000000, -0.0000677700000000 ] - [ -0.0002496800000000, -0.0005461700000000, -0.0014179900000000 ] - [ -0.0002496800000000, -0.0005461700000000, 0.0014179900000000 ] - [ 0.0046751100000000, -0.0250473800000000, 0.0000000000000000 ] - [ 0.0002922900000000, 0.0007092000000000, 0.0000000000000000 ] - [ -0.0002421700000000, -0.0021426700000000, 0.0000000000000000 ] - [ -0.0003000000000000, -0.0007044300000000, 0.0000000000000000 ] - [ 0.0001165800000000, -0.0000209900000000, 0.0003460200000000 ] - [ 0.0001105600000000, -0.0006375900000000, 0.0005693400000000 ] - [ -0.0001306900000000, -0.0000728800000000, 0.0004315400000000 ] - [ 0.0005155900000000, -0.0004590400000000, -0.0003130300000000 ] - [ 0.0002318800000000, -0.0000862100000000, -0.0004217300000000 ] - [ 0.0013253100000000, -0.0006464800000000, 0.0007045900000000 ] - [ -0.0000364200000000, 0.0001940800000000, -0.0003503900000000 ] - [ -0.0022174500000000, 0.0018895700000000, -0.0026285700000000 ] - [ 0.0005155900000000, -0.0004590400000000, 0.0003130300000000 ] - [ -0.0001306900000000, -0.0000728800000000, -0.0004315400000000 ] - [ 0.0001105600000000, -0.0006375900000000, -0.0005693400000000 ] - [ 0.0001165800000000, -0.0000209900000000, -0.0003460200000000 ] - [ -0.0022174500000000, 0.0018895700000000, 0.0026285700000000 ] - [ -0.0000364200000000, 0.0001940800000000, 0.0003503900000000 ] - [ 0.0013253100000000, -0.0006464800000000, -0.0007045900000000 ] - [ 0.0002318800000000, -0.0000862100000000, 0.0004217300000000 ] - [ -0.0053388400000000, 0.0486331000000000, 0.0000000000000000 ] - [ 0.0002720700000000, 0.0003222600000000, 0.0000000000000000 ] - [ -0.0001402900000000, 0.0002062000000000, 0.0000000000000000 ] - [ -0.0002908000000000, -0.0002275100000000, 0.0000000000000000 ] - [ 0.0002803900000000, -0.0003157700000000, 0.0001243900000000 ] - [ 0.0002803900000000, -0.0003157700000000, -0.0001243900000000 ] - [ -0.0003238500000000, -0.0000594600000000, 0.0002797900000000 ] - [ -0.0003238500000000, -0.0000594600000000, -0.0002797900000000 ] - [ 0.0004149700000000, -0.0079992200000000, 0.0000000000000000 ] - [ 0.0002915100000000, -0.0003291100000000, 0.0000000000000000 ] - [ -0.0005964000000000, 0.0001951900000000, 0.0000000000000000 ] - [ -0.0002985700000000, 0.0002337700000000, 0.0000000000000000 ] - [ 0.0002788300000000, 0.0001764600000000, -0.0000545900000000 ] - [ 0.0002788300000000, 0.0001764600000000, 0.0000545900000000 ] - [ -0.0002829300000000, 0.0001189400000000, 0.0010335700000000 ] - [ -0.0002829300000000, 0.0001189400000000, -0.0010335700000000 ] - [ -0.0000040800000000, -0.0000834700000000, -0.0006419300000000 ] - [ -0.0003560500000000, -0.0008466700000000, -0.0010489000000000 ] - [ -0.0001143000000000, 0.0000833900000000, 0.0006627100000000 ] - [ -0.0019810700000000, 0.0016783500000000, 0.0019480300000000 ] - [ -0.0003560500000000, -0.0008466700000000, 0.0010489000000000 ] - [ -0.0000040800000000, -0.0000834700000000, 0.0006419300000000 ] - [ -0.0019810700000000, 0.0016783500000000, -0.0019480300000000 ] - [ -0.0001143000000000, 0.0000833900000000, -0.0006627100000000 ] - [ -0.0007385300000000, -0.0005216400000000, -0.0003164200000000 ] - [ -0.0007385300000000, -0.0005216400000000, 0.0003164200000000 ] - [ 0.0009287200000000, 0.0007743500000000, 0.0002454400000000 ] - [ 0.0009287200000000, 0.0007743500000000, -0.0002454400000000 ] - [ 0.0002307100000000, -0.0019895300000000, 0.0000000000000000 ] - [ -0.0006399200000000, 0.0001196700000000, 0.0000000000000000 ] - [ -0.0005027200000000, 0.0011527800000000, 0.0000000000000000 ] - [ 0.0005346500000000, -0.0001499100000000, 0.0000000000000000 ] - [ 0.0002573600000000, -0.0004588500000000, 0.0000944000000000 ] - [ -0.0001113100000000, 0.0017278800000000, 0.0015860900000000 ] - [ -0.0002459800000000, 0.0006300800000000, 0.0001697400000000 ] - [ -0.0003854900000000, 0.0014797900000000, 0.0000300100000000 ] - [ 0.0001954300000000, 0.0003522800000000, -0.0003201700000000 ] - [ 0.0001852000000000, -0.0001977700000000, -0.0001240400000000 ] - [ -0.0002961500000000, -0.0006431200000000, 0.0003466200000000 ] - [ 0.0011488500000000, -0.0075347100000000, 0.0070296800000000 ] - [ -0.0003854900000000, 0.0014797900000000, -0.0000300100000000 ] - [ -0.0002459800000000, 0.0006300800000000, -0.0001697400000000 ] - [ -0.0001113100000000, 0.0017278800000000, -0.0015860900000000 ] - [ 0.0002573600000000, -0.0004588500000000, -0.0000944000000000 ] - [ 0.0011488500000000, -0.0075347100000000, -0.0070296800000000 ] - [ -0.0002961500000000, -0.0006431200000000, -0.0003466200000000 ] - [ 0.0001852000000000, -0.0001977700000000, 0.0001240400000000 ] - [ 0.0001954300000000, 0.0003522800000000, 0.0003201700000000 ] - [ 0.0031323500000000, -0.0062934400000000, 0.0000000000000000 ] - [ 0.0000983700000000, 0.0001484000000000, 0.0000000000000000 ] - [ 0.0015886800000000, 0.0010707700000000, 0.0000000000000000 ] - [ 0.0000189500000000, -0.0001964600000000, 0.0000000000000000 ] - [ 0.0002400200000000, -0.0004847800000000, -0.0004960100000000 ] - [ 0.0002400200000000, -0.0004847800000000, 0.0004960100000000 ] - [ -0.0002315100000000, 0.0008686100000000, 0.0001169400000000 ] - [ -0.0002315100000000, 0.0008686100000000, -0.0001169400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001845800000000, -0.0006627900000000, 0.0006239100000000 ] - [ 0.0004305100000000, -0.0005733600000000, 0.0006197700000000 ] - [ -0.0003829000000000, 0.0023827300000000, 0.0035340100000000 ] - [ -0.0002510400000000, -0.0011487400000000, 0.0035312600000000 ] - [ 0.0003012100000000, 0.0006684200000000, -0.0058836500000000 ] - [ 0.0003066300000000, 0.0006190400000000, 0.0010025900000000 ] - [ -0.0003078200000000, -0.0006177300000000, -0.0007332700000000 ] - [ -0.0003072400000000, -0.0006193000000000, 0.0008056700000000 ] - [ 0.0002132300000000, 0.0002006200000000, 0.0007312700000000 ] - [ -0.0001489700000000, -0.0003423800000000, -0.0000052300000000 ] - [ -0.0000965500000000, -0.0001563100000000, 0.0006810500000000 ] - [ -0.0005613800000000, 0.0005023300000000, 0.0001538200000000 ] - [ -0.0000556100000000, 0.0000375800000000, 0.0001237000000000 ] - [ 0.0012802500000000, -0.0011207700000000, -0.0005109100000000 ] - [ -0.0002585300000000, -0.0000939500000000, 0.0001410300000000 ] - [ 0.0056755600000000, 0.0023203100000000, 0.0025310600000000 ] - [ 0.0003073700000000, -0.0006316600000000, -0.0005700600000000 ] - [ -0.0001605700000000, 0.0000305700000000, -0.0000407600000000 ] - [ 0.0004064700000000, 0.0004684700000000, -0.0007270400000000 ] - [ 0.0000440500000000, -0.0000756300000000, 0.0000105300000000 ] - [ -0.0059947800000000, -0.0022099600000000, 0.0032583000000000 ] - [ 0.0000016100000000, 0.0002218800000000, 0.0008582300000000 ] - [ -0.0010235100000000, 0.0009996600000000, 0.0002121000000000 ] - [ 0.0003146900000000, -0.0001627800000000, 0.0008438700000000 ] - [ 0.0005692900000000, -0.0003632000000000, -0.0595044600000000 ] - [ 0.0002929100000000, 0.0002431100000000, 0.0006286000000000 ] - [ -0.0002952200000000, -0.0002406600000000, -0.0009455400000000 ] - [ -0.0002946600000000, -0.0002413500000000, 0.0004419700000000 ] - [ 0.0002420800000000, -0.0003651300000000, -0.0000119800000000 ] - [ 0.0003496200000000, -0.0001177400000000, -0.0000120000000000 ] - [ -0.0002525000000000, 0.0005167700000000, 0.0001186700000000 ] - [ -0.0003402400000000, -0.0000373700000000, 0.0001184600000000 ] - [ 0.0002977800000000, -0.0002376600000000, -0.0023287200000000 ] - [ 0.0002973800000000, -0.0002299500000000, 0.0006137700000000 ] - [ -0.0002976900000000, 0.0002278300000000, -0.0006375200000000 ] - [ -0.0002977000000000, 0.0002287100000000, 0.0004464500000000 ] - [ 0.0003217400000000, 0.0004478200000000, 0.0001015000000000 ] - [ 0.0002749300000000, 0.0000101800000000, 0.0001006400000000 ] - [ -0.0000434900000000, -0.0014195200000000, 0.0017292400000000 ] - [ -0.0005505100000000, 0.0009519000000000, 0.0017061200000000 ] - [ -0.0000389900000000, 0.0000293200000000, -0.0003611500000000 ] - [ 0.0001603000000000, 0.0000515500000000, -0.0010343900000000 ] - [ 0.0001732300000000, -0.0000379500000000, 0.0012781700000000 ] - [ -0.0048356900000000, -0.0012203700000000, 0.0018786100000000 ] - [ -0.0001607700000000, -0.0000534000000000, 0.0003819900000000 ] - [ 0.0000388600000000, -0.0000310900000000, 0.0010576000000000 ] - [ 0.0048698000000000, 0.0012329300000000, 0.0004554800000000 ] - [ -0.0001751100000000, 0.0000386500000000, -0.0001404000000000 ] - [ -0.0010140800000000, 0.0002778300000000, -0.0003860900000000 ] - [ -0.0002045600000000, -0.0006934400000000, -0.0003828600000000 ] - [ -0.0004252600000000, -0.0008874800000000, -0.0008918000000000 ] - [ 0.0016469200000000, 0.0013039700000000, -0.0008902000000000 ] - [ -0.0006080200000000, 0.0002100000000000, 0.0052002100000000 ] - [ -0.0006075000000000, 0.0002080700000000, -0.0007243500000000 ] - [ 0.0006074400000000, -0.0002088300000000, 0.0011208600000000 ] - [ 0.0006056400000000, -0.0002082500000000, -0.0006958700000000 ] - [ 0.0002483400000000, -0.0006301000000000, -0.0006264800000000 ] - [ 0.0002918400000000, -0.0005646300000000, 0.0014378800000000 ] - [ -0.0002755300000000, 0.0006294200000000, -0.0004330600000000 ] - [ -0.0002113300000000, 0.0004283200000000, 0.0008888200000000 ] - [ 0.0003188300000000, 0.0004577100000000, -0.0008963900000000 ] - [ -0.0001864100000000, 0.0004605500000000, -0.0000140900000000 ] - [ -0.0001720100000000, -0.0004662600000000, -0.0019837400000000 ] - [ 0.0027165100000000, -0.0075257900000000, 0.0197584700000000 ] - [ -0.0002945600000000, 0.0006372000000000, 0.0004508400000000 ] - [ -0.0002310900000000, 0.0004355500000000, -0.0008729300000000 ] - [ 0.0002142800000000, -0.0004992700000000, 0.0010061000000000 ] - [ 0.0002580500000000, -0.0004322300000000, -0.0010634200000000 ] - [ -0.0034285300000000, 0.0070185100000000, 0.0213426700000000 ] - [ -0.0003329700000000, -0.0006028900000000, -0.0015538000000000 ] - [ 0.0006921300000000, 0.0006023500000000, 0.0004262200000000 ] - [ 0.0001857900000000, 0.0006047800000000, -0.0004550000000000 ] - [ 0.0000399100000000, 0.0002549800000000, 0.0052420200000000 ] - [ 0.0000529900000000, 0.0002415000000000, -0.0007185200000000 ] - [ -0.0000520900000000, -0.0002424000000000, 0.0014420300000000 ] - [ -0.0000538200000000, -0.0002425500000000, -0.0007125100000000 ] - [ 0.0005250100000000, 0.0002771100000000, -0.0004173400000000 ] - [ -0.0004152700000000, -0.0007590100000000, -0.0004136600000000 ] - [ 0.0007759300000000, -0.0010029600000000, -0.0007267800000000 ] - [ -0.0008892400000000, 0.0014985800000000, -0.0007295800000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006201800000000, -0.0005394000000000, -0.0000852200000000 ] - [ 0.0006201800000000, -0.0005394000000000, 0.0000852200000000 ] - [ -0.0020096600000000, 0.0005492000000000, -0.0001331600000000 ] - [ -0.0020096600000000, 0.0005492000000000, 0.0001331600000000 ] - [ -0.0020563500000000, 0.0023150800000000, 0.0000000000000000 ] - [ 0.0002348700000000, 0.0006707600000000, 0.0000000000000000 ] - [ 0.0065481000000000, 0.0000603100000000, 0.0000000000000000 ] - [ -0.0001414900000000, -0.0006257500000000, 0.0000000000000000 ] - [ 0.0001570500000000, 0.0001245600000000, 0.0004674300000000 ] - [ 0.0045993300000000, 0.0024171300000000, -0.0048584700000000 ] - [ -0.0001116900000000, -0.0000537000000000, 0.0003943500000000 ] - [ 0.0001075100000000, 0.0001939500000000, 0.0001558800000000 ] - [ 0.0001724600000000, 0.0000020500000000, -0.0004524400000000 ] - [ 0.0034236500000000, 0.0024501300000000, 0.0037860800000000 ] - [ -0.0001461200000000, 0.0000779900000000, -0.0003789400000000 ] - [ -0.0001429400000000, 0.0003441200000000, -0.0002063600000000 ] - [ 0.0001075100000000, 0.0001939500000000, -0.0001558800000000 ] - [ -0.0001116900000000, -0.0000537000000000, -0.0003943500000000 ] - [ 0.0045993300000000, 0.0024171300000000, 0.0048584700000000 ] - [ 0.0001570500000000, 0.0001245600000000, -0.0004674300000000 ] - [ -0.0001429400000000, 0.0003441200000000, 0.0002063600000000 ] - [ -0.0001461200000000, 0.0000779900000000, 0.0003789400000000 ] - [ 0.0034236500000000, 0.0024501300000000, -0.0037860800000000 ] - [ 0.0001724600000000, 0.0000020500000000, 0.0004524400000000 ] - [ -0.0015193700000000, 0.0001377000000000, 0.0000000000000000 ] - [ 0.0002623700000000, 0.0002497300000000, 0.0000000000000000 ] - [ 0.0012144800000000, 0.0000549700000000, 0.0000000000000000 ] - [ -0.0002428800000000, -0.0002414000000000, 0.0000000000000000 ] - [ 0.0004672600000000, -0.0002614300000000, -0.0000224900000000 ] - [ 0.0004672600000000, -0.0002614300000000, 0.0000224900000000 ] - [ -0.0008317800000000, 0.0002569400000000, 0.0002506200000000 ] - [ -0.0008317800000000, 0.0002569400000000, -0.0002506200000000 ] - [ -0.0207298600000000, -0.0028224400000000, 0.0000000000000000 ] - [ 0.0001846400000000, -0.0002359900000000, 0.0000000000000000 ] - [ 0.0000333900000000, 0.0001307200000000, 0.0000000000000000 ] - [ -0.0002628300000000, 0.0002312900000000, 0.0000000000000000 ] - [ 0.0008500900000000, 0.0002346400000000, 0.0000140200000000 ] - [ 0.0008500900000000, 0.0002346400000000, -0.0000140200000000 ] - [ -0.0004176700000000, -0.0001519500000000, 0.0000876100000000 ] - [ -0.0004176700000000, -0.0001519500000000, -0.0000876100000000 ] - [ -0.0000080300000000, -0.0000781700000000, -0.0008023600000000 ] - [ 0.0009019800000000, -0.0023290800000000, 0.0011269500000000 ] - [ 0.0000132800000000, -0.0000656700000000, 0.0007804300000000 ] - [ 0.0008464500000000, -0.0015931100000000, -0.0004839500000000 ] - [ 0.0009019800000000, -0.0023290800000000, -0.0011269500000000 ] - [ -0.0000080300000000, -0.0000781700000000, 0.0008023600000000 ] - [ 0.0008464500000000, -0.0015931100000000, 0.0004839500000000 ] - [ 0.0000132800000000, -0.0000656700000000, -0.0007804300000000 ] - [ -0.0008856900000000, -0.0001902900000000, -0.0001513900000000 ] - [ -0.0008856900000000, -0.0001902900000000, 0.0001513900000000 ] - [ 0.0010205800000000, 0.0005971200000000, -0.0013859200000000 ] - [ 0.0010205800000000, 0.0005971200000000, 0.0013859200000000 ] - [ 0.0003256700000000, 0.0003702600000000, 0.0000000000000000 ] - [ -0.0005326200000000, 0.0001987000000000, 0.0000000000000000 ] - [ -0.0000738900000000, 0.0002331200000000, 0.0000000000000000 ] - [ 0.0004928200000000, -0.0001854000000000, 0.0000000000000000 ] - [ 0.0003668400000000, -0.0005478600000000, 0.0001358300000000 ] - [ 0.0025687800000000, -0.0018327100000000, 0.0010364300000000 ] - [ -0.0003719000000000, 0.0005198500000000, 0.0001967900000000 ] - [ -0.0020609000000000, 0.0003136500000000, 0.0001719700000000 ] - [ 0.0001363000000000, 0.0005153900000000, -0.0001609900000000 ] - [ -0.0006118800000000, 0.0001673200000000, -0.0004218400000000 ] - [ -0.0000382700000000, -0.0005952600000000, -0.0001380100000000 ] - [ 0.0021142200000000, -0.0010154100000000, -0.0007669200000000 ] - [ -0.0020609000000000, 0.0003136500000000, -0.0001719700000000 ] - [ -0.0003719000000000, 0.0005198500000000, -0.0001967900000000 ] - [ 0.0025687800000000, -0.0018327100000000, -0.0010364300000000 ] - [ 0.0003668400000000, -0.0005478600000000, -0.0001358300000000 ] - [ 0.0021142200000000, -0.0010154100000000, 0.0007669200000000 ] - [ -0.0000382700000000, -0.0005952600000000, 0.0001380100000000 ] - [ -0.0006118800000000, 0.0001673200000000, 0.0004218400000000 ] - [ 0.0001363000000000, 0.0005153900000000, 0.0001609900000000 ] - [ 0.0001506000000000, 0.0004565200000000, 0.0000000000000000 ] - [ 0.0000801600000000, 0.0002515500000000, 0.0000000000000000 ] - [ -0.0059819200000000, -0.0000699000000000, 0.0000000000000000 ] - [ -0.0001530200000000, -0.0002644800000000, 0.0000000000000000 ] - [ -0.0000503600000000, -0.0000320500000000, 0.0001727500000000 ] - [ -0.0000503600000000, -0.0000320500000000, -0.0001727500000000 ] - [ 0.0004045100000000, 0.0000643900000000, 0.0014509900000000 ] - [ 0.0004045100000000, 0.0000643900000000, -0.0014509900000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000038300000000, -0.0007020500000000, 0.0000899300000000 ] - [ -0.0000038300000000, -0.0007020500000000, -0.0000899300000000 ] - [ 0.0013913300000000, 0.0006891600000000, 0.0001151700000000 ] - [ 0.0013913300000000, 0.0006891600000000, -0.0001151700000000 ] - [ 0.0026664300000000, -0.0011121900000000, 0.0000000000000000 ] - [ 0.0003825600000000, 0.0005683900000000, 0.0000000000000000 ] - [ -0.0071685200000000, -0.0013086100000000, 0.0000000000000000 ] - [ -0.0004749000000000, -0.0006146000000000, 0.0000000000000000 ] - [ 0.0001014100000000, 0.0000042600000000, 0.0002508400000000 ] - [ -0.0043189300000000, -0.0022631200000000, 0.0055166600000000 ] - [ -0.0001476800000000, -0.0000744900000000, 0.0003237000000000 ] - [ -0.0003699000000000, -0.0003195600000000, 0.0005612500000000 ] - [ 0.0000874200000000, -0.0001308100000000, -0.0002646800000000 ] - [ -0.0031789300000000, -0.0026048500000000, -0.0045535200000000 ] - [ -0.0001116000000000, 0.0000515200000000, -0.0003378400000000 ] - [ -0.0001121800000000, -0.0002165400000000, -0.0005120200000000 ] - [ -0.0003699000000000, -0.0003195600000000, -0.0005612500000000 ] - [ -0.0001476800000000, -0.0000744900000000, -0.0003237000000000 ] - [ -0.0043189300000000, -0.0022631200000000, -0.0055166600000000 ] - [ 0.0001014100000000, 0.0000042600000000, -0.0002508400000000 ] - [ -0.0001121800000000, -0.0002165400000000, 0.0005120200000000 ] - [ -0.0001116000000000, 0.0000515200000000, 0.0003378400000000 ] - [ -0.0031789300000000, -0.0026048500000000, 0.0045535200000000 ] - [ 0.0000874200000000, -0.0001308100000000, 0.0002646800000000 ] - [ 0.0021063800000000, 0.0003748100000000, 0.0000000000000000 ] - [ 0.0003226100000000, 0.0002378000000000, 0.0000000000000000 ] - [ -0.0018099200000000, -0.0005433000000000, 0.0000000000000000 ] - [ -0.0003435000000000, -0.0002442100000000, 0.0000000000000000 ] - [ 0.0001189200000000, -0.0002228800000000, 0.0000243400000000 ] - [ 0.0001189200000000, -0.0002228800000000, -0.0000243400000000 ] - [ 0.0002440200000000, 0.0002272100000000, -0.0002565400000000 ] - [ 0.0002440200000000, 0.0002272100000000, 0.0002565400000000 ] - [ 0.0216088000000000, 0.0023286100000000, 0.0000000000000000 ] - [ 0.0004109800000000, -0.0002230500000000, 0.0000000000000000 ] - [ -0.0006296700000000, 0.0003284900000000, 0.0000000000000000 ] - [ -0.0003326900000000, 0.0002275500000000, 0.0000000000000000 ] - [ -0.0002543700000000, 0.0002227400000000, -0.0000103400000000 ] - [ -0.0002543700000000, 0.0002227400000000, 0.0000103400000000 ] - [ -0.0001780300000000, -0.0003065100000000, -0.0000892300000000 ] - [ -0.0001780300000000, -0.0003065100000000, 0.0000892300000000 ] - [ 0.0000088100000000, 0.0000779600000000, -0.0006157900000000 ] - [ -0.0008942700000000, 0.0023444700000000, -0.0025571000000000 ] - [ -0.0000146100000000, 0.0000655800000000, 0.0006368400000000 ] - [ -0.0008494800000000, 0.0015823600000000, 0.0018942500000000 ] - [ -0.0008942700000000, 0.0023444700000000, 0.0025571000000000 ] - [ 0.0000088100000000, 0.0000779600000000, 0.0006157900000000 ] - [ -0.0008494800000000, 0.0015823600000000, -0.0018942500000000 ] - [ -0.0000146100000000, 0.0000655800000000, -0.0006368400000000 ] - [ -0.0003239800000000, -0.0002274000000000, 0.0001504500000000 ] - [ -0.0003239800000000, -0.0002274000000000, -0.0001504500000000 ] - [ 0.0002015100000000, -0.0001776400000000, 0.0013830000000000 ] - [ 0.0002015100000000, -0.0001776400000000, -0.0013830000000000 ] - [ -0.0015487500000000, 0.0000444500000000, 0.0000000000000000 ] - [ -0.0006806100000000, 0.0002201500000000, 0.0000000000000000 ] - [ 0.0008837800000000, -0.0006270400000000, 0.0000000000000000 ] - [ 0.0007186000000000, -0.0002329900000000, 0.0000000000000000 ] - [ 0.0001418100000000, -0.0005146300000000, 0.0003043400000000 ] - [ -0.0020480500000000, 0.0007885300000000, -0.0006095000000000 ] - [ -0.0001360500000000, 0.0005428800000000, 0.0002414000000000 ] - [ 0.0015524800000000, 0.0007467100000000, 0.0002699200000000 ] - [ 0.0003715600000000, 0.0005469700000000, -0.0002805600000000 ] - [ 0.0011218400000000, 0.0009005700000000, -0.0000131600000000 ] - [ -0.0004703500000000, -0.0004678800000000, -0.0002978400000000 ] - [ -0.0026310500000000, -0.0000604000000000, 0.0003124700000000 ] - [ 0.0015524800000000, 0.0007467100000000, -0.0002699200000000 ] - [ -0.0001360500000000, 0.0005428800000000, -0.0002414000000000 ] - [ -0.0020480500000000, 0.0007885300000000, 0.0006095000000000 ] - [ 0.0001418100000000, -0.0005146300000000, -0.0003043400000000 ] - [ -0.0026310500000000, -0.0000604000000000, -0.0003124700000000 ] - [ -0.0004703500000000, -0.0004678800000000, 0.0002978400000000 ] - [ 0.0011218400000000, 0.0009005700000000, 0.0000131600000000 ] - [ 0.0003715600000000, 0.0005469700000000, 0.0002805600000000 ] - [ -0.0000366900000000, 0.0000326300000000, 0.0000000000000000 ] - [ 0.0000243900000000, 0.0002318900000000, 0.0000000000000000 ] - [ 0.0059921900000000, -0.0004100500000000, 0.0000000000000000 ] - [ 0.0000471800000000, -0.0002202000000000, 0.0000000000000000 ] - [ 0.0001527300000000, -0.0004534600000000, -0.0001749000000000 ] - [ 0.0001527300000000, -0.0004534600000000, 0.0001749000000000 ] - [ -0.0005198700000000, 0.0004220200000000, -0.0014541500000000 ] - [ -0.0005198700000000, 0.0004220200000000, 0.0014541500000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003146800000000, -0.0002121700000000, -0.0001799900000000 ] - [ 0.0003146800000000, -0.0002121700000000, 0.0001799900000000 ] - [ -0.0004062400000000, -0.0010649400000000, -0.0026585300000000 ] - [ -0.0004062400000000, -0.0010649400000000, 0.0026585300000000 ] - [ 0.0016715800000000, 0.0124557100000000, 0.0000000000000000 ] - [ 0.0002703600000000, 0.0008391700000000, 0.0000000000000000 ] - [ -0.0003128000000000, -0.0015276900000000, 0.0000000000000000 ] - [ -0.0003035000000000, -0.0007327300000000, 0.0000000000000000 ] - [ 0.0001436800000000, -0.0000549900000000, 0.0003966600000000 ] - [ 0.0023618900000000, -0.0016198300000000, -0.0014232200000000 ] - [ -0.0000942900000000, -0.0000144300000000, 0.0004467300000000 ] - [ 0.0004041900000000, 0.0005104800000000, 0.0000690100000000 ] - [ 0.0002311500000000, -0.0001242900000000, -0.0004206300000000 ] - [ 0.0026753500000000, -0.0007905800000000, 0.0015591100000000 ] - [ -0.0000460400000000, 0.0001981200000000, -0.0003833000000000 ] - [ 0.0001768300000000, 0.0010306100000000, -0.0003875500000000 ] - [ 0.0004041900000000, 0.0005104800000000, -0.0000690100000000 ] - [ -0.0000942900000000, -0.0000144300000000, -0.0004467300000000 ] - [ 0.0023618900000000, -0.0016198300000000, 0.0014232200000000 ] - [ 0.0001436800000000, -0.0000549900000000, -0.0003966600000000 ] - [ 0.0001768300000000, 0.0010306100000000, 0.0003875500000000 ] - [ -0.0000460400000000, 0.0001981200000000, 0.0003833000000000 ] - [ 0.0026753500000000, -0.0007905800000000, -0.0015591100000000 ] - [ 0.0002311500000000, -0.0001242900000000, 0.0004206300000000 ] - [ 0.0001828600000000, 0.0080144900000000, 0.0000000000000000 ] - [ 0.0002650300000000, 0.0003414800000000, 0.0000000000000000 ] - [ -0.0001191800000000, -0.0002035400000000, 0.0000000000000000 ] - [ -0.0002889400000000, -0.0002447700000000, 0.0000000000000000 ] - [ 0.0002742500000000, -0.0001896100000000, 0.0002191700000000 ] - [ 0.0002742500000000, -0.0001896100000000, -0.0002191700000000 ] - [ -0.0002870700000000, -0.0001046100000000, 0.0011861400000000 ] - [ -0.0002870700000000, -0.0001046100000000, -0.0011861400000000 ] - [ -0.0022918100000000, -0.0166183100000000, 0.0000000000000000 ] - [ 0.0002912600000000, -0.0003723900000000, 0.0000000000000000 ] - [ -0.0003968900000000, 0.0005266000000000, 0.0000000000000000 ] - [ -0.0002957300000000, 0.0002551100000000, 0.0000000000000000 ] - [ 0.0002920800000000, 0.0000594000000000, 0.0000331700000000 ] - [ 0.0002920800000000, 0.0000594000000000, -0.0000331700000000 ] - [ -0.0003746000000000, 0.0005280200000000, 0.0001849000000000 ] - [ -0.0003746000000000, 0.0005280200000000, -0.0001849000000000 ] - [ -0.0000526500000000, -0.0000440000000000, -0.0005687900000000 ] - [ -0.0023438500000000, 0.0010797100000000, -0.0025943600000000 ] - [ -0.0001117200000000, 0.0000610400000000, 0.0006379400000000 ] - [ -0.0016368600000000, 0.0010574100000000, 0.0016300100000000 ] - [ -0.0023438500000000, 0.0010797100000000, 0.0025943600000000 ] - [ -0.0000526500000000, -0.0000440000000000, 0.0005687900000000 ] - [ -0.0016368600000000, 0.0010574100000000, -0.0016300100000000 ] - [ -0.0001117200000000, 0.0000610400000000, -0.0006379400000000 ] - [ -0.0006970300000000, -0.0006805800000000, -0.0000778300000000 ] - [ -0.0006970300000000, -0.0006805800000000, 0.0000778300000000 ] - [ 0.0010411900000000, 0.0013090200000000, 0.0002260800000000 ] - [ 0.0010411900000000, 0.0013090200000000, -0.0002260800000000 ] - [ 0.0002285700000000, -0.0023345900000000, 0.0000000000000000 ] - [ -0.0005868300000000, 0.0000589100000000, 0.0000000000000000 ] - [ 0.0003325300000000, 0.0028558800000000, 0.0000000000000000 ] - [ 0.0005461200000000, -0.0001230300000000, 0.0000000000000000 ] - [ 0.0002611000000000, -0.0005151000000000, -0.0000647800000000 ] - [ -0.0004754800000000, -0.0022902800000000, 0.0024634200000000 ] - [ -0.0002603900000000, 0.0006036600000000, 0.0001397900000000 ] - [ -0.0004595100000000, 0.0009741700000000, 0.0000685100000000 ] - [ 0.0002097700000000, 0.0004099500000000, -0.0002558700000000 ] - [ 0.0000376900000000, 0.0001934900000000, -0.0003280800000000 ] - [ -0.0002915600000000, -0.0005785600000000, 0.0004504200000000 ] - [ -0.0004554300000000, -0.0019693200000000, -0.0042155400000000 ] - [ -0.0004595100000000, 0.0009741700000000, -0.0000685100000000 ] - [ -0.0002603900000000, 0.0006036600000000, -0.0001397900000000 ] - [ -0.0004754800000000, -0.0022902800000000, -0.0024634200000000 ] - [ 0.0002611000000000, -0.0005151000000000, 0.0000647800000000 ] - [ -0.0004554300000000, -0.0019693200000000, 0.0042155400000000 ] - [ -0.0002915600000000, -0.0005785600000000, -0.0004504200000000 ] - [ 0.0000376900000000, 0.0001934900000000, 0.0003280800000000 ] - [ 0.0002097700000000, 0.0004099500000000, 0.0002558700000000 ] - [ -0.0007957000000000, -0.0025933600000000, 0.0000000000000000 ] - [ 0.0000605900000000, 0.0000829800000000, 0.0000000000000000 ] - [ 0.0008155000000000, 0.0023629600000000, 0.0000000000000000 ] - [ 0.0000127300000000, -0.0001622200000000, 0.0000000000000000 ] - [ 0.0001767900000000, -0.0008249100000000, -0.0002769900000000 ] - [ 0.0001767900000000, -0.0008249100000000, 0.0002769900000000 ] - [ -0.0002507700000000, 0.0016227700000000, -0.0001726900000000 ] - [ -0.0002507700000000, 0.0016227700000000, 0.0001726900000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003015000000000, -0.0010264500000000, 0.0001829700000000 ] - [ 0.0003015000000000, -0.0010264500000000, -0.0001829700000000 ] - [ -0.0002130800000000, 0.0023126100000000, 0.0026569500000000 ] - [ -0.0002130800000000, 0.0023126100000000, -0.0026569500000000 ] - [ -0.0010164200000000, -0.0110472800000000, 0.0000000000000000 ] - [ 0.0003448400000000, 0.0003989900000000, 0.0000000000000000 ] - [ -0.0002948500000000, 0.0002728700000000, 0.0000000000000000 ] - [ -0.0003115100000000, -0.0005065100000000, 0.0000000000000000 ] - [ 0.0001144700000000, 0.0001812700000000, 0.0003226600000000 ] - [ -0.0021185500000000, 0.0017228000000000, 0.0021545900000000 ] - [ -0.0001629400000000, -0.0001117900000000, 0.0002726500000000 ] - [ -0.0006588900000000, -0.0006354700000000, 0.0006454700000000 ] - [ 0.0000276500000000, -0.0000022300000000, -0.0002975400000000 ] - [ -0.0024124100000000, 0.0006899200000000, -0.0022746200000000 ] - [ -0.0002107200000000, -0.0000706200000000, -0.0003340800000000 ] - [ -0.0004373400000000, -0.0009042800000000, -0.0003379000000000 ] - [ -0.0006588900000000, -0.0006354700000000, -0.0006454700000000 ] - [ -0.0001629400000000, -0.0001117900000000, -0.0002726500000000 ] - [ -0.0021185500000000, 0.0017228000000000, -0.0021545900000000 ] - [ 0.0001144700000000, 0.0001812700000000, -0.0003226600000000 ] - [ -0.0004373400000000, -0.0009042800000000, 0.0003379000000000 ] - [ -0.0002107200000000, -0.0000706200000000, 0.0003340800000000 ] - [ -0.0024124100000000, 0.0006899200000000, 0.0022746200000000 ] - [ 0.0000276500000000, -0.0000022300000000, 0.0002975400000000 ] - [ 0.0004049600000000, -0.0076260900000000, 0.0000000000000000 ] - [ 0.0003206300000000, 0.0001449200000000, 0.0000000000000000 ] - [ -0.0004714400000000, -0.0002728700000000, 0.0000000000000000 ] - [ -0.0002990700000000, -0.0002391500000000, 0.0000000000000000 ] - [ 0.0003132200000000, -0.0002946200000000, -0.0002184500000000 ] - [ 0.0003132200000000, -0.0002946200000000, 0.0002184500000000 ] - [ -0.0003011100000000, 0.0005858200000000, -0.0011847700000000 ] - [ -0.0003011100000000, 0.0005858200000000, 0.0011847700000000 ] - [ 0.0028601600000000, 0.0160372600000000, 0.0000000000000000 ] - [ 0.0003042000000000, -0.0000862800000000, 0.0000000000000000 ] - [ -0.0001998300000000, -0.0000704900000000, 0.0000000000000000 ] - [ -0.0002994900000000, 0.0002030200000000, 0.0000000000000000 ] - [ 0.0003043300000000, 0.0003978900000000, -0.0000342400000000 ] - [ 0.0003043300000000, 0.0003978900000000, 0.0000342400000000 ] - [ -0.0002204300000000, -0.0009850800000000, -0.0001825000000000 ] - [ -0.0002204300000000, -0.0009850800000000, 0.0001825000000000 ] - [ 0.0000527900000000, 0.0000432700000000, -0.0008491200000000 ] - [ 0.0023283000000000, -0.0010856800000000, 0.0011658900000000 ] - [ 0.0001108800000000, -0.0000607700000000, 0.0007781900000000 ] - [ 0.0016480300000000, -0.0010556500000000, -0.0002232200000000 ] - [ 0.0023283000000000, -0.0010856800000000, -0.0011658900000000 ] - [ 0.0000527900000000, 0.0000432700000000, 0.0008491200000000 ] - [ 0.0016480300000000, -0.0010556500000000, 0.0002232200000000 ] - [ 0.0001108800000000, -0.0000607700000000, -0.0007781900000000 ] - [ -0.0005156000000000, 0.0002633100000000, 0.0000755700000000 ] - [ -0.0005156000000000, 0.0002633100000000, -0.0000755700000000 ] - [ 0.0001734200000000, -0.0008952600000000, -0.0002223700000000 ] - [ 0.0001734200000000, -0.0008952600000000, 0.0002223700000000 ] - [ -0.0014334300000000, 0.0027452000000000, 0.0000000000000000 ] - [ -0.0006260200000000, 0.0003591200000000, 0.0000000000000000 ] - [ 0.0008722400000000, -0.0032713100000000, 0.0000000000000000 ] - [ 0.0006652500000000, -0.0002945300000000, 0.0000000000000000 ] - [ 0.0002463200000000, -0.0005477700000000, 0.0005026100000000 ] - [ 0.0009955200000000, 0.0013149300000000, -0.0020505400000000 ] - [ -0.0002469400000000, 0.0004591400000000, 0.0003003900000000 ] - [ -0.0000494400000000, 0.0000991100000000, 0.0003659500000000 ] - [ 0.0002970300000000, 0.0006523800000000, -0.0001843400000000 ] - [ 0.0004698900000000, 0.0008652500000000, -0.0001103000000000 ] - [ -0.0002157300000000, -0.0004867700000000, -0.0008903500000000 ] - [ -0.0000556300000000, 0.0008474300000000, 0.0037571700000000 ] - [ -0.0000494400000000, 0.0000991100000000, -0.0003659500000000 ] - [ -0.0002469400000000, 0.0004591400000000, -0.0003003900000000 ] - [ 0.0009955200000000, 0.0013149300000000, 0.0020505400000000 ] - [ 0.0002463200000000, -0.0005477700000000, -0.0005026100000000 ] - [ -0.0000556300000000, 0.0008474300000000, -0.0037571700000000 ] - [ -0.0002157300000000, -0.0004867700000000, 0.0008903500000000 ] - [ 0.0004698900000000, 0.0008652500000000, 0.0001103000000000 ] - [ 0.0002970300000000, 0.0006523800000000, 0.0001843400000000 ] - [ 0.0008884800000000, 0.0030803900000000, 0.0000000000000000 ] - [ 0.0000442700000000, 0.0004013700000000, 0.0000000000000000 ] - [ -0.0009100300000000, -0.0028521200000000, 0.0000000000000000 ] - [ -0.0001197400000000, -0.0003226800000000, 0.0000000000000000 ] - [ -0.0000701900000000, 0.0003388600000000, 0.0002742200000000 ] - [ -0.0000701900000000, 0.0003388600000000, -0.0002742200000000 ] - [ 0.0001440500000000, -0.0011384500000000, 0.0001793600000000 ] - [ 0.0001440500000000, -0.0011384500000000, -0.0001793600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002147900000000, -0.0006368700000000, 0.0001900700000000 ] - [ 0.0003999800000000, -0.0006032700000000, 0.0001938700000000 ] - [ -0.0002639800000000, -0.0011627900000000, 0.0044033300000000 ] - [ -0.0003551200000000, 0.0023625100000000, 0.0043647200000000 ] - [ 0.0003061300000000, 0.0006006000000000, -0.0051528700000000 ] - [ 0.0003082100000000, 0.0006199600000000, 0.0011482200000000 ] - [ -0.0003056600000000, -0.0006247700000000, -0.0013722100000000 ] - [ -0.0003081300000000, -0.0006186400000000, 0.0009365600000000 ] - [ 0.0002750900000000, 0.0002733300000000, 0.0009008700000000 ] - [ -0.0049767600000000, -0.0018066700000000, 0.0019412200000000 ] - [ -0.0000899100000000, -0.0000749300000000, 0.0006466500000000 ] - [ -0.0003992700000000, -0.0002504900000000, 0.0001177400000000 ] - [ -0.0000919800000000, -0.0001398500000000, 0.0002297200000000 ] - [ 0.0043180400000000, 0.0018526300000000, 0.0008555700000000 ] - [ -0.0002252500000000, -0.0000910300000000, -0.0000048800000000 ] - [ 0.0002030300000000, 0.0004239200000000, -0.0006857400000000 ] - [ 0.0001396400000000, 0.0001242500000000, -0.0006046600000000 ] - [ -0.0001680600000000, -0.0000507000000000, -0.0000723400000000 ] - [ 0.0052731500000000, 0.0019489800000000, 0.0012069300000000 ] - [ -0.0000162200000000, -0.0001450400000000, 0.0001790100000000 ] - [ -0.0004597100000000, -0.0002972800000000, 0.0000317800000000 ] - [ -0.0000330300000000, 0.0002187600000000, 0.0007145700000000 ] - [ -0.0040878300000000, -0.0019925700000000, 0.0015641500000000 ] - [ 0.0003495100000000, 0.0000104200000000, 0.0009471700000000 ] - [ 0.0002938500000000, 0.0002553600000000, -0.0023283700000000 ] - [ 0.0002930100000000, 0.0002428900000000, 0.0006145800000000 ] - [ -0.0002947000000000, -0.0002394200000000, -0.0006360500000000 ] - [ -0.0002935700000000, -0.0002427300000000, 0.0004458200000000 ] - [ 0.0002017700000000, -0.0001854300000000, 0.0001003800000000 ] - [ 0.0003875700000000, -0.0002962500000000, 0.0001024500000000 ] - [ -0.0000425900000000, 0.0012809700000000, 0.0017268000000000 ] - [ -0.0005439200000000, -0.0007825800000000, 0.0017107400000000 ] - [ 0.0002769100000000, -0.0002404400000000, -0.0120376300000000 ] - [ 0.0002979600000000, -0.0002288800000000, 0.0008044300000000 ] - [ -0.0002978800000000, 0.0002284800000000, -0.0005370200000000 ] - [ -0.0002978100000000, 0.0002294500000000, 0.0004058000000000 ] - [ 0.0002858400000000, 0.0002627200000000, 0.0000930600000000 ] - [ 0.0003102500000000, 0.0001951300000000, 0.0000960000000000 ] - [ -0.0002092900000000, -0.0004134000000000, 0.0002702200000000 ] - [ -0.0003860700000000, -0.0000456800000000, 0.0002733300000000 ] - [ -0.0001001900000000, 0.0002169600000000, -0.0001991100000000 ] - [ 0.0019224000000000, -0.0019181200000000, -0.0004837800000000 ] - [ 0.0001644700000000, -0.0001773900000000, 0.0012085500000000 ] - [ -0.0012100300000000, 0.0010629600000000, 0.0004884400000000 ] - [ -0.0019299900000000, 0.0019261800000000, 0.0009225600000000 ] - [ 0.0000997100000000, -0.0002147400000000, 0.0012189800000000 ] - [ 0.0012119500000000, -0.0010657000000000, -0.0009372200000000 ] - [ -0.0001640700000000, 0.0001755700000000, -0.0002092200000000 ] - [ -0.0007900300000000, -0.0000642500000000, -0.0001675300000000 ] - [ -0.0004228500000000, -0.0003524100000000, -0.0001710200000000 ] - [ -0.0005204800000000, 0.0004871300000000, -0.0019738300000000 ] - [ 0.0017258200000000, -0.0000636900000000, -0.0019602100000000 ] - [ -0.0006088000000000, 0.0002092700000000, 0.0016712500000000 ] - [ -0.0006065300000000, 0.0002086900000000, -0.0007380100000000 ] - [ 0.0006085600000000, -0.0002085600000000, 0.0031915100000000 ] - [ 0.0006076100000000, -0.0002089000000000, -0.0009210400000000 ] - [ 0.0002181800000000, -0.0008773300000000, -0.0008370000000000 ] - [ 0.0006880900000000, 0.0024047400000000, 0.0021707300000000 ] - [ -0.0002727500000000, 0.0005449800000000, -0.0005253700000000 ] - [ -0.0000539500000000, 0.0004448100000000, 0.0011674800000000 ] - [ 0.0003459300000000, 0.0006211900000000, -0.0007716400000000 ] - [ -0.0000407500000000, 0.0002822700000000, 0.0001858400000000 ] - [ -0.0001671400000000, 0.0000867600000000, -0.0017700100000000 ] - [ -0.0004200700000000, -0.0031673500000000, -0.0007599400000000 ] - [ -0.0004546400000000, 0.0006247000000000, 0.0007383300000000 ] - [ -0.0002343900000000, 0.0005177400000000, -0.0009649100000000 ] - [ -0.0001693600000000, -0.0034274900000000, 0.0017813100000000 ] - [ 0.0002889700000000, -0.0001889500000000, -0.0012762900000000 ] - [ -0.0000911600000000, 0.0020780900000000, -0.0002705900000000 ] - [ -0.0003399300000000, -0.0011458100000000, -0.0013299400000000 ] - [ 0.0005491800000000, 0.0007809700000000, 0.0006308400000000 ] - [ 0.0001624800000000, 0.0004451200000000, -0.0003342200000000 ] - [ 0.0000540600000000, 0.0002428700000000, 0.0016027800000000 ] - [ 0.0000516600000000, 0.0002421100000000, -0.0007095600000000 ] - [ -0.0000467300000000, -0.0002434700000000, 0.0028602900000000 ] - [ -0.0000537500000000, -0.0002427100000000, -0.0008596100000000 ] - [ 0.0003411200000000, -0.0003197000000000, -0.0002406100000000 ] - [ -0.0002364400000000, -0.0001655900000000, -0.0002434000000000 ] - [ 0.0010526500000000, 0.0002593400000000, -0.0024934400000000 ] - [ -0.0011467700000000, 0.0002290500000000, -0.0024754400000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007270000000000, -0.0014176200000000, 0.0006917000000000 ] - [ 0.0002978000000000, -0.0005283800000000, -0.0001501100000000 ] - [ 0.0000965700000000, -0.0001779400000000, -0.0006956900000000 ] - [ -0.0003187100000000, 0.0007099800000000, 0.0001501800000000 ] - [ 0.0002099900000000, 0.0009590400000000, -0.0003636400000000 ] - [ 0.0058416100000000, 0.0056432100000000, 0.0073319800000000 ] - [ -0.0004036100000000, -0.0002817800000000, 0.0003630700000000 ] - [ 0.0051743100000000, 0.0043485200000000, -0.0072576500000000 ] - [ 0.0020779600000000, -0.0001444400000000, 0.0004699000000000 ] - [ 0.0002368100000000, 0.0000460500000000, 0.0003614200000000 ] - [ 0.0018167100000000, -0.0002718500000000, 0.0002512700000000 ] - [ -0.0000211300000000, -0.0000801200000000, 0.0003604100000000 ] - [ -0.0015272800000000, 0.0004138400000000, -0.0002311600000000 ] - [ 0.0000699400000000, -0.0000545700000000, -0.0003642600000000 ] - [ -0.0017896300000000, 0.0005196800000000, -0.0004896300000000 ] - [ -0.0001881800000000, 0.0000726100000000, -0.0003553900000000 ] - [ 0.0002744800000000, -0.0000822000000000, -0.0003056900000000 ] - [ 0.0004810300000000, -0.0001785700000000, -0.0003233400000000 ] - [ 0.0005322200000000, 0.0000434000000000, -0.0004164900000000 ] - [ 0.0007388700000000, -0.0000524700000000, -0.0003960100000000 ] - [ -0.0003597100000000, 0.0000290700000000, 0.0003907700000000 ] - [ -0.0003824200000000, 0.0001931300000000, 0.0005005100000000 ] - [ -0.0001003200000000, -0.0000970900000000, 0.0003315200000000 ] - [ -0.0001245600000000, 0.0000664900000000, 0.0002188200000000 ] - [ 0.0002886800000000, 0.0002466300000000, -0.0000395300000000 ] - [ 0.0003614600000000, 0.0005966200000000, 0.0001605600000000 ] - [ -0.0003002100000000, -0.0002368200000000, 0.0000402400000000 ] - [ -0.0002244100000000, 0.0001118500000000, -0.0001614000000000 ] - [ 0.0047194800000000, -0.0022047500000000, 0.0048238000000000 ] - [ 0.0002614600000000, -0.0003543300000000, -0.0001735300000000 ] - [ 0.0041588500000000, -0.0017431700000000, -0.0048807800000000 ] - [ -0.0003303500000000, 0.0001275800000000, 0.0001748900000000 ] - [ 0.0002892300000000, -0.0002819400000000, -0.0000996800000000 ] - [ 0.0011936500000000, -0.0025724200000000, 0.0019314000000000 ] - [ -0.0003057900000000, 0.0001762400000000, 0.0001005400000000 ] - [ 0.0006028600000000, -0.0020995600000000, -0.0019207000000000 ] - [ 0.0011469600000000, 0.0018662100000000, 0.0012071400000000 ] - [ 0.0003125200000000, 0.0003399500000000, -0.0001638700000000 ] - [ 0.0005492300000000, 0.0014187000000000, -0.0012145300000000 ] - [ -0.0002842300000000, -0.0001170500000000, 0.0001642700000000 ] - [ -0.0356100000000000, -0.0009764600000000, -0.0007671700000000 ] - [ -0.0001148400000000, -0.0000166800000000, -0.0007085700000000 ] - [ 0.0004393100000000, 0.0001516500000000, 0.0007091500000000 ] - [ 0.0000553500000000, 0.0000218100000000, 0.0007090600000000 ] - [ -0.0012269500000000, 0.0000870000000000, 0.0007178700000000 ] - [ -0.0010803600000000, -0.0001965600000000, 0.0007044800000000 ] - [ 0.0001932700000000, 0.0000048200000000, -0.0007096800000000 ] - [ 0.0001927700000000, 0.0001479700000000, -0.0007086100000000 ] - [ -0.0016125700000000, 0.0001972600000000, -0.0002276400000000 ] - [ -0.0008266800000000, -0.0001853000000000, 0.0000222400000000 ] - [ -0.0003937700000000, 0.0006203000000000, 0.0002299200000000 ] - [ 0.0003897100000000, 0.0002335700000000, -0.0000232400000000 ] - [ -0.0003666300000000, 0.0001202500000000, -0.0000013000000000 ] - [ 0.0023593000000000, -0.0006945900000000, -0.0008366400000000 ] - [ 0.0008472600000000, -0.0002969900000000, -0.0000013800000000 ] - [ 0.0035518300000000, -0.0011179900000000, 0.0008498700000000 ] - [ 0.0033017200000000, -0.0009742000000000, -0.0007266000000000 ] - [ 0.0002361400000000, -0.0005247500000000, 0.0002790800000000 ] - [ 0.0023487200000000, 0.0000594600000000, 0.0012041200000000 ] - [ -0.0002729500000000, 0.0005403300000000, 0.0001584700000000 ] - [ 0.0003306100000000, 0.0004921700000000, -0.0003669500000000 ] - [ 0.0002705300000000, 0.0004896400000000, -0.0001949100000000 ] - [ -0.0001727700000000, -0.0005733400000000, -0.0000684600000000 ] - [ -0.0002372000000000, -0.0005747200000000, -0.0002447400000000 ] - [ -0.0005427200000000, 0.0004223200000000, -0.0013210900000000 ] - [ -0.0006802300000000, 0.0006170600000000, 0.0013055400000000 ] - [ -0.0000328500000000, -0.0006428100000000, 0.0008892600000000 ] - [ -0.0001714000000000, -0.0004480700000000, -0.0017519700000000 ] - [ -0.0001855400000000, -0.0005222300000000, 0.0004902400000000 ] - [ -0.0001803200000000, -0.0006570900000000, -0.0000470500000000 ] - [ 0.0003187900000000, 0.0005450500000000, -0.0000538100000000 ] - [ 0.0003259200000000, 0.0004059600000000, 0.0004852900000000 ] - [ -0.0001468800000000, 0.0001270400000000, 0.0000520700000000 ] - [ -0.0016500300000000, -0.0008886900000000, -0.0004021800000000 ] - [ -0.0002524300000000, -0.0003566200000000, -0.0000523200000000 ] - [ -0.0017536500000000, -0.0013692400000000, 0.0004021700000000 ] - [ 0.0030704700000000, 0.0001345600000000, -0.0003540900000000 ] - [ 0.0003049400000000, -0.0002187400000000, -0.0000278700000000 ] - [ 0.0029756300000000, 0.0005990400000000, 0.0003381000000000 ] - [ 0.0001993700000000, 0.0002661000000000, 0.0000280500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015451300000000, 0.0020441700000000, -0.0005381800000000 ] - [ 0.0002211500000000, -0.0005317000000000, 0.0000507800000000 ] - [ -0.0021583000000000, 0.0032815900000000, 0.0005167100000000 ] - [ -0.0003961900000000, 0.0007080000000000, -0.0000520200000000 ] - [ 0.0004159700000000, 0.0005401300000000, -0.0000196800000000 ] - [ 0.0054165500000000, -0.0006891300000000, 0.0025026300000000 ] - [ -0.0002011300000000, -0.0006975600000000, 0.0000192600000000 ] - [ 0.0048006600000000, -0.0018976800000000, -0.0025041900000000 ] - [ 0.0000955200000000, -0.0001655400000000, 0.0003515000000000 ] - [ 0.0001382800000000, 0.0000396100000000, 0.0003629000000000 ] - [ -0.0001641700000000, -0.0002961500000000, 0.0003705200000000 ] - [ -0.0001201100000000, -0.0000864300000000, 0.0003585500000000 ] - [ 0.0006104300000000, 0.0066565200000000, -0.0004033300000000 ] - [ 0.0001471800000000, -0.0000179000000000, -0.0003617200000000 ] - [ 0.0003584400000000, 0.0068712600000000, -0.0003132100000000 ] - [ -0.0001116200000000, 0.0001093500000000, -0.0003589100000000 ] - [ -0.0001913100000000, -0.0002023700000000, -0.0005445700000000 ] - [ -0.0000360700000000, -0.0002106100000000, -0.0001702000000000 ] - [ 0.0000667800000000, -0.0000753300000000, -0.0001774800000000 ] - [ 0.0002228100000000, -0.0000827700000000, -0.0005500900000000 ] - [ 0.0000989700000000, 0.0005332600000000, -0.0001557100000000 ] - [ -0.0001860100000000, 0.0005002100000000, 0.0008302200000000 ] - [ 0.0003582800000000, 0.0004051000000000, 0.0008720800000000 ] - [ 0.0000718800000000, 0.0003723600000000, -0.0001088000000000 ] - [ 0.0003079400000000, 0.0003257500000000, 0.0000292200000000 ] - [ 0.0005668900000000, 0.0010902000000000, 0.0000555200000000 ] - [ -0.0002815200000000, -0.0001571100000000, -0.0000301200000000 ] - [ -0.0000233700000000, 0.0006065100000000, -0.0000502200000000 ] - [ -0.0014808800000000, -0.0019390100000000, -0.0012204900000000 ] - [ 0.0002656800000000, -0.0003246500000000, -0.0000388000000000 ] - [ -0.0020874700000000, -0.0014379500000000, 0.0012326900000000 ] - [ -0.0003247800000000, 0.0001580700000000, 0.0000383900000000 ] - [ 0.0002200100000000, -0.0002722300000000, 0.0002153700000000 ] - [ -0.0020312100000000, 0.0008556800000000, -0.0019147800000000 ] - [ -0.0003759100000000, 0.0001848800000000, -0.0002161700000000 ] - [ -0.0026421100000000, 0.0013097100000000, 0.0019299600000000 ] - [ 0.0018798100000000, 0.0012861600000000, 0.0010601800000000 ] - [ 0.0003639500000000, 0.0002897000000000, -0.0001767600000000 ] - [ 0.0012958300000000, 0.0008267500000000, -0.0010688200000000 ] - [ -0.0002321900000000, -0.0001680000000000, 0.0001764100000000 ] - [ -0.0009755400000000, -0.0218245700000000, -0.0006830000000000 ] - [ -0.0000163500000000, -0.0000840400000000, -0.0007087200000000 ] - [ -0.0001515000000000, 0.0004754200000000, 0.0007098900000000 ] - [ -0.0000221100000000, 0.0000403100000000, 0.0007084100000000 ] - [ 0.0000870900000000, -0.0014543100000000, 0.0007155300000000 ] - [ -0.0001963900000000, -0.0011879900000000, 0.0007038000000000 ] - [ -0.0001478100000000, 0.0002586000000000, -0.0007100400000000 ] - [ -0.0000050400000000, 0.0002583200000000, -0.0007082200000000 ] - [ 0.0000578500000000, -0.0004059200000000, 0.0000587900000000 ] - [ -0.0006477600000000, -0.0002018800000000, -0.0000335200000000 ] - [ 0.0012694300000000, 0.0000070600000000, -0.0000572900000000 ] - [ 0.0005669100000000, 0.0002146100000000, 0.0000339600000000 ] - [ -0.0007755100000000, 0.0002588500000000, 0.0002155700000000 ] - [ -0.0020234600000000, 0.0010064200000000, -0.0019741900000000 ] - [ 0.0004395000000000, -0.0001577600000000, -0.0002155200000000 ] - [ -0.0008391800000000, 0.0004836500000000, 0.0020437900000000 ] - [ -0.0000711100000000, 0.0026196800000000, 0.0004154700000000 ] - [ 0.0002380700000000, -0.0004393600000000, 0.0002076100000000 ] - [ -0.0005685400000000, 0.0036781500000000, 0.0000279700000000 ] - [ -0.0002692900000000, 0.0006250300000000, 0.0002327300000000 ] - [ 0.0004421700000000, -0.0018221200000000, -0.0005539100000000 ] - [ 0.0002531300000000, 0.0004283200000000, -0.0002061600000000 ] - [ -0.0000759400000000, -0.0028851500000000, 0.0001167900000000 ] - [ -0.0002540100000000, -0.0006354900000000, -0.0002339100000000 ] - [ -0.0002558500000000, 0.0011070500000000, -0.0002385700000000 ] - [ -0.0005878800000000, 0.0015703500000000, 0.0002954700000000 ] - [ 0.0002518900000000, 0.0000431100000000, -0.0002024100000000 ] - [ -0.0000802000000000, 0.0005093500000000, -0.0007357800000000 ] - [ -0.0001702900000000, -0.0017281700000000, -0.0002798100000000 ] - [ -0.0002479600000000, -0.0011773000000000, 0.0002843800000000 ] - [ 0.0003351100000000, -0.0006611900000000, 0.0007230400000000 ] - [ 0.0002575000000000, -0.0001148800000000, 0.0001551800000000 ] - [ 0.0001122700000000, 0.0002278500000000, 0.0000354600000000 ] - [ -0.0004970900000000, 0.0000003600000000, -0.0000100700000000 ] - [ 0.0000082900000000, -0.0002549900000000, -0.0000348500000000 ] - [ -0.0006046200000000, -0.0004886100000000, 0.0000095200000000 ] - [ 0.0007982800000000, 0.0007896500000000, 0.0012119200000000 ] - [ 0.0002026200000000, -0.0002148000000000, -0.0002180700000000 ] - [ 0.0007317200000000, 0.0011255100000000, -0.0013187800000000 ] - [ 0.0000980700000000, 0.0002680100000000, 0.0002189000000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0017733800000000, -0.0022947100000000, -0.0006571200000000 ] - [ 0.0001599700000000, -0.0004482800000000, 0.0008090900000000 ] - [ -0.0017733800000000, 0.0022947100000000, -0.0006571200000000 ] - [ -0.0001599700000000, 0.0004482800000000, 0.0008090900000000 ] - [ 0.0001264600000000, 0.0004306000000000, 0.0011687500000000 ] - [ 0.0070096300000000, 0.0027072900000000, 0.0011167100000000 ] - [ -0.0001264600000000, -0.0004306000000000, 0.0011687500000000 ] - [ -0.0070096300000000, -0.0027072900000000, 0.0011167100000000 ] - [ 0.0000604000000000, -0.0000986300000000, -0.0003088300000000 ] - [ 0.0001560000000000, 0.0001309700000000, 0.0007491500000000 ] - [ -0.0000604000000000, 0.0000986300000000, -0.0003088300000000 ] - [ -0.0001560000000000, -0.0001309700000000, 0.0007491500000000 ] - [ 0.0002141900000000, -0.0002397900000000, -0.0023059000000000 ] - [ 0.0000834500000000, -0.0000012300000000, 0.0000454200000000 ] - [ -0.0002141900000000, 0.0002397900000000, -0.0023059000000000 ] - [ -0.0000834500000000, 0.0000012300000000, 0.0000454200000000 ] - [ -0.0000796800000000, -0.0001558700000000, -0.0002901900000000 ] - [ -0.0001324300000000, 0.0001147200000000, -0.0001682500000000 ] - [ 0.0000796800000000, 0.0001558700000000, -0.0002901900000000 ] - [ 0.0001324300000000, -0.0001147200000000, -0.0001682500000000 ] - [ -0.0001973000000000, -0.0002486700000000, 0.0008042400000000 ] - [ -0.0001550400000000, 0.0004161700000000, 0.0007958100000000 ] - [ 0.0001973000000000, 0.0002486700000000, 0.0008042400000000 ] - [ 0.0001550400000000, -0.0004161700000000, 0.0007958100000000 ] - [ 0.0002648900000000, 0.0001763300000000, 0.0003495300000000 ] - [ 0.0004829600000000, 0.0005817000000000, -0.0003264700000000 ] - [ -0.0002648900000000, -0.0001763300000000, 0.0003495300000000 ] - [ -0.0004829600000000, -0.0005817000000000, -0.0003264700000000 ] - [ 0.0049875600000000, -0.0014711400000000, 0.0011743900000000 ] - [ 0.0002044000000000, -0.0001963200000000, 0.0005699400000000 ] - [ -0.0049875600000000, 0.0014711400000000, 0.0011743900000000 ] - [ -0.0002044000000000, 0.0001963200000000, 0.0005699400000000 ] - [ 0.0002049000000000, -0.0000900100000000, 0.0005100400000000 ] - [ 0.0021432700000000, -0.0021143000000000, 0.0002147800000000 ] - [ -0.0002049000000000, 0.0000900100000000, 0.0005100400000000 ] - [ -0.0021432700000000, 0.0021143000000000, 0.0002147800000000 ] - [ 0.0014853400000000, 0.0011543700000000, -0.0002208600000000 ] - [ 0.0002258900000000, 0.0001575700000000, 0.0004992300000000 ] - [ -0.0014853400000000, -0.0011543700000000, -0.0002208600000000 ] - [ -0.0002258900000000, -0.0001575700000000, 0.0004992300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0241467800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001040300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000925800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010872700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051500600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042743700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005884400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005881400000000 ] - [ -0.0012751600000000, -0.0000808500000000, 0.0005607100000000 ] - [ -0.0005506400000000, -0.0002916300000000, -0.0005644800000000 ] - [ 0.0012751600000000, 0.0000808500000000, 0.0005607100000000 ] - [ 0.0005506400000000, 0.0002916300000000, -0.0005644800000000 ] - [ -0.0004830400000000, 0.0005016600000000, -0.0008961300000000 ] - [ -0.0015490600000000, -0.0010413100000000, 0.0015090500000000 ] - [ 0.0004830400000000, -0.0005016600000000, -0.0008961300000000 ] - [ 0.0015490600000000, 0.0010413100000000, 0.0015090500000000 ] - [ 0.0003969800000000, -0.0003003300000000, 0.0037460900000000 ] - [ 0.0002807700000000, -0.0006671000000000, -0.0007464000000000 ] - [ -0.0003969800000000, 0.0003003300000000, 0.0037460900000000 ] - [ -0.0002807700000000, 0.0006671000000000, -0.0007464000000000 ] - [ 0.0000819800000000, 0.0010962300000000, 0.0016359800000000 ] - [ 0.0002493100000000, 0.0003714300000000, -0.0010499400000000 ] - [ -0.0000819800000000, -0.0010962300000000, 0.0016359800000000 ] - [ -0.0002493100000000, -0.0003714300000000, -0.0010499400000000 ] - [ -0.0010375800000000, 0.0002974000000000, -0.0013458600000000 ] - [ 0.0006136300000000, 0.0005905400000000, -0.0007827100000000 ] - [ 0.0010375800000000, -0.0002974000000000, -0.0013458600000000 ] - [ -0.0006136300000000, -0.0005905400000000, -0.0007827100000000 ] - [ 0.0000929700000000, -0.0008078200000000, -0.0001672900000000 ] - [ -0.0004430800000000, -0.0005962800000000, -0.0003423800000000 ] - [ -0.0000929700000000, 0.0008078200000000, -0.0001672900000000 ] - [ 0.0004430800000000, 0.0005962800000000, -0.0003423800000000 ] - [ 0.0001659100000000, 0.0004405100000000, -0.0005293500000000 ] - [ -0.0006363100000000, -0.0003467300000000, 0.0005393600000000 ] - [ -0.0001659100000000, -0.0004405100000000, -0.0005293500000000 ] - [ 0.0006363100000000, 0.0003467300000000, 0.0005393600000000 ] - [ -0.0004266200000000, 0.0006880100000000, 0.0022037700000000 ] - [ 0.0001942800000000, -0.0005319000000000, -0.0008883500000000 ] - [ 0.0004266200000000, -0.0006880100000000, 0.0022037700000000 ] - [ -0.0001942800000000, 0.0005319000000000, -0.0008883500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0011505000000000, 0.0010577000000000, 0.0006572100000000 ] - [ 0.0004560900000000, -0.0007871700000000, -0.0008137600000000 ] - [ 0.0011505000000000, -0.0010577000000000, 0.0006572100000000 ] - [ -0.0004560900000000, 0.0007871700000000, -0.0008137600000000 ] - [ 0.0004912900000000, 0.0008113800000000, -0.0011717700000000 ] - [ -0.0063505700000000, -0.0014402000000000, -0.0011322100000000 ] - [ -0.0004912900000000, -0.0008113800000000, -0.0011717700000000 ] - [ 0.0063505700000000, 0.0014402000000000, -0.0011322100000000 ] - [ 0.0001970100000000, 0.0002269000000000, 0.0010280200000000 ] - [ 0.0001026500000000, -0.0000016000000000, -0.0000330700000000 ] - [ -0.0001970100000000, -0.0002269000000000, 0.0010280200000000 ] - [ -0.0001026500000000, 0.0000016000000000, -0.0000330700000000 ] - [ 0.0000444900000000, 0.0001335100000000, 0.0015880100000000 ] - [ 0.0001754800000000, -0.0001294200000000, -0.0007617900000000 ] - [ -0.0000444900000000, -0.0001335100000000, 0.0015880100000000 ] - [ -0.0001754800000000, 0.0001294200000000, -0.0007617900000000 ] - [ -0.0001782500000000, 0.0000316400000000, -0.0004283000000000 ] - [ -0.0001266300000000, -0.0002426200000000, -0.0005503300000000 ] - [ 0.0001782500000000, -0.0000316400000000, -0.0004283000000000 ] - [ 0.0001266300000000, 0.0002426200000000, -0.0005503300000000 ] - [ -0.0000627000000000, 0.0003833100000000, -0.0000872800000000 ] - [ -0.0001022000000000, -0.0002855900000000, -0.0000792400000000 ] - [ 0.0000627000000000, -0.0003833100000000, -0.0000872800000000 ] - [ 0.0001022000000000, 0.0002855900000000, -0.0000792400000000 ] - [ 0.0003211200000000, 0.0003115400000000, -0.0003483700000000 ] - [ 0.0001022500000000, -0.0000964900000000, 0.0003246200000000 ] - [ -0.0003211200000000, -0.0003115400000000, -0.0003483700000000 ] - [ -0.0001022500000000, 0.0000964900000000, 0.0003246200000000 ] - [ -0.0044289300000000, 0.0009982900000000, -0.0011612700000000 ] - [ 0.0003813800000000, -0.0002891600000000, -0.0005687600000000 ] - [ 0.0044289300000000, -0.0009982900000000, -0.0011612700000000 ] - [ -0.0003813800000000, 0.0002891600000000, -0.0005687600000000 ] - [ 0.0003916700000000, -0.0003713900000000, -0.0005099100000000 ] - [ -0.0015396700000000, 0.0016449700000000, -0.0002240800000000 ] - [ -0.0003916700000000, 0.0003713900000000, -0.0005099100000000 ] - [ 0.0015396700000000, -0.0016449700000000, -0.0002240800000000 ] - [ -0.0008921000000000, -0.0006977900000000, 0.0002276200000000 ] - [ 0.0003698500000000, 0.0002997600000000, -0.0004999800000000 ] - [ 0.0008921000000000, 0.0006977900000000, 0.0002276200000000 ] - [ -0.0003698500000000, -0.0002997600000000, -0.0004999800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0227731800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013141700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013279700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003299200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037854700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028133800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008307700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0008305200000000 ] - [ 0.0000601200000000, -0.0003386500000000, -0.0005637000000000 ] - [ -0.0006635600000000, -0.0001275600000000, 0.0005656300000000 ] - [ -0.0000601200000000, 0.0003386500000000, -0.0005637000000000 ] - [ 0.0006635600000000, 0.0001275600000000, 0.0005656300000000 ] - [ -0.0007325300000000, -0.0000891200000000, 0.0008974200000000 ] - [ 0.0003641300000000, 0.0015320800000000, -0.0014272100000000 ] - [ 0.0007325300000000, 0.0000891200000000, 0.0008974200000000 ] - [ -0.0003641300000000, -0.0015320800000000, -0.0014272100000000 ] - [ 0.0000954400000000, -0.0007595600000000, -0.0033038600000000 ] - [ 0.0002271500000000, -0.0003969100000000, 0.0011852500000000 ] - [ -0.0000954400000000, 0.0007595600000000, -0.0033038600000000 ] - [ -0.0002271500000000, 0.0003969100000000, 0.0011852500000000 ] - [ 0.0004241200000000, -0.0000343400000000, -0.0020764800000000 ] - [ 0.0002588800000000, 0.0006919000000000, 0.0006116600000000 ] - [ -0.0004241200000000, 0.0000343400000000, -0.0020764800000000 ] - [ -0.0002588800000000, -0.0006919000000000, 0.0006116600000000 ] - [ 0.0005385100000000, 0.0007682700000000, 0.0009130500000000 ] - [ -0.0011128600000000, 0.0004770100000000, 0.0003459900000000 ] - [ -0.0005385100000000, -0.0007682700000000, 0.0009130500000000 ] - [ 0.0011128600000000, -0.0004770100000000, 0.0003459900000000 ] - [ -0.0005987200000000, -0.0002596700000000, 0.0005995800000000 ] - [ -0.0000624300000000, -0.0004658900000000, 0.0007851800000000 ] - [ 0.0005987200000000, 0.0002596700000000, 0.0005995800000000 ] - [ 0.0000624300000000, 0.0004658900000000, 0.0007851800000000 ] - [ -0.0000610600000000, 0.0000420300000000, 0.0005284700000000 ] - [ 0.0007425600000000, 0.0008315000000000, -0.0005348600000000 ] - [ 0.0000610600000000, -0.0000420300000000, 0.0005284700000000 ] - [ -0.0007425600000000, -0.0008315000000000, -0.0005348600000000 ] - [ 0.0004981800000000, -0.0010676100000000, -0.0022974400000000 ] - [ -0.0000865600000000, 0.0000415700000000, 0.0008875900000000 ] - [ -0.0004981800000000, 0.0010676100000000, -0.0022974400000000 ] - [ 0.0000865600000000, -0.0000415700000000, 0.0008875900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0742423000000000, 0.0301972100000000, 0.0000000000000000 ] - [ 0.0005463700000000, -0.0002544300000000, 0.0000000000000000 ] - [ -0.0025253100000000, 0.0023695600000000, 0.0000000000000000 ] - [ -0.0003937500000000, 0.0006935700000000, 0.0000000000000000 ] - [ -0.0012583800000000, 0.0008824700000000, -0.0016746400000000 ] - [ -0.0012583800000000, 0.0008824700000000, 0.0016746400000000 ] - [ 0.0002492200000000, -0.0006646400000000, 0.0008081300000000 ] - [ 0.0002492200000000, -0.0006646400000000, -0.0008081300000000 ] - [ 0.0008130000000000, -0.0003964100000000, 0.0006838700000000 ] - [ 0.0003109800000000, -0.0000184200000000, 0.0003409700000000 ] - [ 0.0044968600000000, 0.0009757300000000, -0.0014275400000000 ] - [ 0.0001691100000000, -0.0001702100000000, 0.0002034300000000 ] - [ -0.0011749900000000, -0.0008354800000000, -0.0004718600000000 ] - [ -0.0000662600000000, -0.0000868700000000, -0.0001877000000000 ] - [ -0.0025762700000000, 0.0001803800000000, -0.0013192400000000 ] - [ -0.0003498500000000, 0.0001263200000000, -0.0002620000000000 ] - [ 0.0044968600000000, 0.0009757300000000, 0.0014275400000000 ] - [ 0.0001691100000000, -0.0001702100000000, -0.0002034300000000 ] - [ 0.0008130000000000, -0.0003964100000000, -0.0006838700000000 ] - [ 0.0003109800000000, -0.0000184200000000, -0.0003409700000000 ] - [ -0.0025762700000000, 0.0001803800000000, 0.0013192400000000 ] - [ -0.0003498500000000, 0.0001263200000000, 0.0002620000000000 ] - [ -0.0011749900000000, -0.0008354800000000, 0.0004718600000000 ] - [ -0.0000662600000000, -0.0000868700000000, 0.0001877000000000 ] - [ -0.0002638200000000, 0.0003733400000000, -0.0004034900000000 ] - [ -0.0002638200000000, 0.0003733400000000, 0.0004034900000000 ] - [ 0.0003089700000000, -0.0005602300000000, 0.0010366300000000 ] - [ 0.0003089700000000, -0.0005602300000000, -0.0010366300000000 ] - [ 0.0050674300000000, 0.0006063800000000, 0.0000000000000000 ] - [ 0.0003448500000000, -0.0002729400000000, 0.0000000000000000 ] - [ -0.0015389900000000, -0.0008700900000000, 0.0000000000000000 ] - [ -0.0003465800000000, 0.0001710000000000, 0.0000000000000000 ] - [ 0.0000162500000000, -0.0003216100000000, -0.0001839500000000 ] - [ 0.0000162500000000, -0.0003216100000000, 0.0001839500000000 ] - [ 0.0001175100000000, 0.0006645100000000, 0.0011193700000000 ] - [ 0.0001175100000000, 0.0006645100000000, -0.0011193700000000 ] - [ 0.0012382300000000, -0.0006000700000000, 0.0000000000000000 ] - [ 0.0003719700000000, 0.0002110300000000, 0.0000000000000000 ] - [ -0.0009671700000000, 0.0000261900000000, 0.0000000000000000 ] - [ -0.0004099700000000, -0.0001713000000000, 0.0000000000000000 ] - [ -0.0009998500000000, 0.0006661500000000, -0.0013808200000000 ] - [ -0.0002175800000000, -0.0000405600000000, -0.0006531100000000 ] - [ 0.0029475700000000, 0.0014415400000000, 0.0016739600000000 ] - [ 0.0002405700000000, 0.0001681600000000, 0.0005843900000000 ] - [ -0.0009998500000000, 0.0006661500000000, 0.0013808200000000 ] - [ -0.0002175800000000, -0.0000405600000000, 0.0006531100000000 ] - [ 0.0029475700000000, 0.0014415400000000, -0.0016739600000000 ] - [ 0.0002405700000000, 0.0001681600000000, -0.0005843900000000 ] - [ -0.1085554900000000, -0.0423370400000000, 0.0000000000000000 ] - [ -0.0010159000000000, -0.0003381300000000, 0.0000000000000000 ] - [ 0.0004408200000000, -0.0004635400000000, 0.0000000000000000 ] - [ 0.0005142900000000, 0.0002327400000000, 0.0000000000000000 ] - [ 0.0008873000000000, -0.0002246200000000, -0.0003756900000000 ] - [ 0.0008873000000000, -0.0002246200000000, 0.0003756900000000 ] - [ 0.0009878600000000, 0.0003262300000000, -0.0006506200000000 ] - [ 0.0009878600000000, 0.0003262300000000, 0.0006506200000000 ] - [ 0.0021450600000000, 0.0013167000000000, -0.0022705700000000 ] - [ 0.0004162400000000, -0.0003168900000000, 0.0007919300000000 ] - [ -0.0016380900000000, -0.0004937700000000, 0.0014638600000000 ] - [ -0.0005239900000000, 0.0005694300000000, -0.0000775100000000 ] - [ 0.0027986900000000, 0.0063970100000000, 0.0066823100000000 ] - [ 0.0001289900000000, 0.0004266000000000, -0.0007243100000000 ] - [ 0.0022682600000000, -0.0019891100000000, -0.0009827400000000 ] - [ -0.0000475200000000, -0.0006260900000000, -0.0001035800000000 ] - [ -0.0016380900000000, -0.0004937700000000, -0.0014638600000000 ] - [ -0.0005239900000000, 0.0005694300000000, 0.0000775100000000 ] - [ 0.0021450600000000, 0.0013167000000000, 0.0022705700000000 ] - [ 0.0004162400000000, -0.0003168900000000, -0.0007919300000000 ] - [ 0.0022682600000000, -0.0019891100000000, 0.0009827400000000 ] - [ -0.0000475200000000, -0.0006260900000000, 0.0001035800000000 ] - [ 0.0027986900000000, 0.0063970100000000, -0.0066823100000000 ] - [ 0.0001289900000000, 0.0004266000000000, 0.0007243100000000 ] - [ -0.0000996400000000, 0.0002961200000000, 0.0023188300000000 ] - [ -0.0000996400000000, 0.0002961200000000, -0.0023188300000000 ] - [ -0.0011711800000000, -0.0006735100000000, 0.0000617900000000 ] - [ -0.0011711800000000, -0.0006735100000000, -0.0000617900000000 ] - [ 0.0129969300000000, -0.0038635000000000, 0.0000000000000000 ] - [ 0.0001984500000000, -0.0003338300000000, 0.0000000000000000 ] - [ 0.0017701200000000, -0.0000323900000000, 0.0000000000000000 ] - [ 0.0001913600000000, 0.0002450100000000, 0.0000000000000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0697575700000000, -0.0292444100000000, 0.0000000000000000 ] - [ 0.0000692500000000, -0.0009819900000000, 0.0000000000000000 ] - [ 0.0019037400000000, -0.0011532900000000, 0.0000000000000000 ] - [ -0.0002222500000000, 0.0005439100000000, 0.0000000000000000 ] - [ 0.0018647600000000, 0.0003494600000000, 0.0016860300000000 ] - [ 0.0018647600000000, 0.0003494600000000, -0.0016860300000000 ] - [ -0.0008608900000000, -0.0005785500000000, -0.0008155800000000 ] - [ -0.0008608900000000, -0.0005785500000000, 0.0008155800000000 ] - [ -0.0005600400000000, 0.0005214000000000, 0.0000365100000000 ] - [ -0.0000527700000000, 0.0001472100000000, 0.0003781800000000 ] - [ -0.0047426400000000, -0.0011069000000000, 0.0021519200000000 ] - [ -0.0004273100000000, 0.0000435500000000, 0.0005136600000000 ] - [ 0.0014362200000000, 0.0007060200000000, -0.0002475000000000 ] - [ 0.0003272000000000, -0.0000400100000000, -0.0005302700000000 ] - [ 0.0023278900000000, -0.0000589500000000, 0.0005874900000000 ] - [ 0.0000931100000000, 0.0000021000000000, -0.0004546500000000 ] - [ -0.0047426400000000, -0.0011069000000000, -0.0021519200000000 ] - [ -0.0004273100000000, 0.0000435500000000, -0.0005136600000000 ] - [ -0.0005600400000000, 0.0005214000000000, -0.0000365100000000 ] - [ -0.0000527700000000, 0.0001472100000000, -0.0003781800000000 ] - [ 0.0023278900000000, -0.0000589500000000, -0.0005874900000000 ] - [ 0.0000931100000000, 0.0000021000000000, 0.0004546500000000 ] - [ 0.0014362200000000, 0.0007060200000000, 0.0002475000000000 ] - [ 0.0003272000000000, -0.0000400100000000, 0.0005302700000000 ] - [ 0.0008475100000000, 0.0001108400000000, 0.0004069600000000 ] - [ 0.0008475100000000, 0.0001108400000000, -0.0004069600000000 ] - [ -0.0008939900000000, 0.0000773500000000, -0.0010364000000000 ] - [ -0.0008939900000000, 0.0000773500000000, 0.0010364000000000 ] - [ -0.0043423200000000, -0.0012376300000000, 0.0000000000000000 ] - [ 0.0002457800000000, -0.0002084700000000, 0.0000000000000000 ] - [ 0.0009465400000000, 0.0013665500000000, 0.0000000000000000 ] - [ -0.0002406900000000, 0.0003138800000000, 0.0000000000000000 ] - [ 0.0005786800000000, -0.0001378700000000, 0.0001852400000000 ] - [ 0.0005786800000000, -0.0001378700000000, -0.0001852400000000 ] - [ -0.0007028600000000, -0.0002047200000000, -0.0011254700000000 ] - [ -0.0007028600000000, -0.0002047200000000, 0.0011254700000000 ] - [ -0.0006364500000000, 0.0010609900000000, 0.0000000000000000 ] - [ 0.0002251100000000, 0.0002479500000000, 0.0000000000000000 ] - [ -0.0000107100000000, -0.0005125800000000, 0.0000000000000000 ] - [ -0.0001851400000000, -0.0002879600000000, 0.0000000000000000 ] - [ 0.0010083000000000, -0.0006590500000000, -0.0000456400000000 ] - [ 0.0002198300000000, 0.0000411800000000, -0.0007657900000000 ] - [ -0.0029638600000000, -0.0014218200000000, -0.0002384500000000 ] - [ -0.0002409200000000, -0.0001681400000000, 0.0008335100000000 ] - [ 0.0010083000000000, -0.0006590500000000, 0.0000456400000000 ] - [ 0.0002198300000000, 0.0000411800000000, 0.0007657900000000 ] - [ -0.0029638600000000, -0.0014218200000000, 0.0002384500000000 ] - [ -0.0002409200000000, -0.0001681400000000, -0.0008335100000000 ] - [ 0.1034928400000000, 0.0397797900000000, 0.0000000000000000 ] - [ -0.0001989300000000, -0.0000854900000000, 0.0000000000000000 ] - [ 0.0007905300000000, 0.0008810500000000, 0.0000000000000000 ] - [ 0.0007042000000000, 0.0001882200000000, 0.0000000000000000 ] - [ -0.0021007500000000, 0.0006459500000000, 0.0003667000000000 ] - [ -0.0021007500000000, 0.0006459500000000, -0.0003667000000000 ] - [ 0.0002207400000000, -0.0007440000000000, 0.0006496800000000 ] - [ 0.0002207400000000, -0.0007440000000000, -0.0006496800000000 ] - [ -0.0016256200000000, -0.0023895400000000, 0.0027283300000000 ] - [ 0.0000946800000000, -0.0007422300000000, -0.0003563600000000 ] - [ 0.0011139200000000, 0.0015722400000000, -0.0010409300000000 ] - [ 0.0000156600000000, 0.0004915000000000, 0.0005188400000000 ] - [ -0.0022851300000000, -0.0052859600000000, -0.0070573400000000 ] - [ 0.0003784400000000, 0.0006330300000000, 0.0002860100000000 ] - [ -0.0027727100000000, 0.0009487900000000, 0.0005572600000000 ] - [ -0.0004594200000000, -0.0004344800000000, -0.0003357100000000 ] - [ 0.0011139200000000, 0.0015722400000000, 0.0010409300000000 ] - [ 0.0000156600000000, 0.0004915000000000, -0.0005188400000000 ] - [ -0.0016256200000000, -0.0023895400000000, -0.0027283300000000 ] - [ 0.0000946800000000, -0.0007422300000000, 0.0003563600000000 ] - [ -0.0027727100000000, 0.0009487900000000, -0.0005572600000000 ] - [ -0.0004594200000000, -0.0004344800000000, 0.0003357100000000 ] - [ -0.0022851300000000, -0.0052859600000000, 0.0070573400000000 ] - [ 0.0003784400000000, 0.0006330300000000, -0.0002860100000000 ] - [ 0.0002230300000000, 0.0001929400000000, -0.0023118400000000 ] - [ 0.0002230300000000, 0.0001929400000000, 0.0023118400000000 ] - [ 0.0010670500000000, 0.0001873000000000, -0.0000580500000000 ] - [ 0.0010670500000000, 0.0001873000000000, 0.0000580500000000 ] - [ -0.0127724600000000, 0.0033247800000000, 0.0000000000000000 ] - [ -0.0000942100000000, -0.0001511300000000, 0.0000000000000000 ] - [ -0.0018771800000000, 0.0005178100000000, 0.0000000000000000 ] - [ -0.0002963100000000, 0.0002407300000000, 0.0000000000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0308697200000000, 0.0259461800000000, 0.0000000000000000 ] - [ 0.0003845500000000, -0.0002741700000000, 0.0000000000000000 ] - [ 0.0008882200000000, -0.0006802200000000, 0.0000000000000000 ] - [ -0.0003230000000000, 0.0004635800000000, 0.0000000000000000 ] - [ -0.0001561300000000, 0.0016285100000000, -0.0013494000000000 ] - [ -0.0001561300000000, 0.0016285100000000, 0.0013494000000000 ] - [ -0.0002672500000000, -0.0027337300000000, -0.0019785100000000 ] - [ -0.0002672500000000, -0.0027337300000000, 0.0019785100000000 ] - [ -0.0002386600000000, -0.0017716900000000, 0.0006161400000000 ] - [ 0.0001148300000000, -0.0000743300000000, 0.0003297900000000 ] - [ 0.0006733800000000, 0.0070677700000000, -0.0040478100000000 ] - [ -0.0001255400000000, 0.0000397700000000, 0.0002460500000000 ] - [ -0.0003315700000000, -0.0010614900000000, -0.0005599200000000 ] - [ 0.0000737700000000, -0.0001937000000000, -0.0002519900000000 ] - [ -0.0009166500000000, 0.0011601900000000, -0.0004840100000000 ] - [ -0.0001991400000000, 0.0001838400000000, -0.0002632000000000 ] - [ 0.0006733800000000, 0.0070677700000000, 0.0040478100000000 ] - [ -0.0001255400000000, 0.0000397700000000, -0.0002460500000000 ] - [ -0.0002386600000000, -0.0017716900000000, -0.0006161400000000 ] - [ 0.0001148300000000, -0.0000743300000000, -0.0003297900000000 ] - [ -0.0009166500000000, 0.0011601900000000, 0.0004840100000000 ] - [ -0.0001991400000000, 0.0001838400000000, 0.0002632000000000 ] - [ -0.0003315700000000, -0.0010614900000000, 0.0005599200000000 ] - [ 0.0000737700000000, -0.0001937000000000, 0.0002519900000000 ] - [ 0.0003935200000000, 0.0005554700000000, 0.0004851700000000 ] - [ 0.0003935200000000, 0.0005554700000000, -0.0004851700000000 ] - [ -0.0002529600000000, -0.0008044200000000, 0.0010972000000000 ] - [ -0.0002529600000000, -0.0008044200000000, -0.0010972000000000 ] - [ 0.0023286600000000, 0.0016927300000000, 0.0000000000000000 ] - [ 0.0003313800000000, -0.0001528200000000, 0.0000000000000000 ] - [ -0.0012063300000000, -0.0011230100000000, 0.0000000000000000 ] - [ -0.0003169000000000, 0.0001838300000000, 0.0000000000000000 ] - [ 0.0003161800000000, -0.0007034700000000, 0.0001441400000000 ] - [ 0.0003161800000000, -0.0007034700000000, -0.0001441400000000 ] - [ 0.0000912400000000, 0.0013312900000000, -0.0002784800000000 ] - [ 0.0000912400000000, 0.0013312900000000, 0.0002784800000000 ] - [ 0.0001289800000000, -0.0023108800000000, 0.0000000000000000 ] - [ 0.0003080200000000, 0.0000800200000000, 0.0000000000000000 ] - [ -0.0007299500000000, 0.0028334100000000, 0.0000000000000000 ] - [ -0.0003213000000000, -0.0001440900000000, 0.0000000000000000 ] - [ 0.0004077300000000, -0.0002023300000000, -0.0005797800000000 ] - [ 0.0000240500000000, 0.0000063500000000, -0.0007915300000000 ] - [ 0.0008939600000000, 0.0007907700000000, -0.0005412700000000 ] - [ 0.0000872700000000, 0.0000514800000000, 0.0010053300000000 ] - [ 0.0004077300000000, -0.0002023300000000, 0.0005797800000000 ] - [ 0.0000240500000000, 0.0000063500000000, 0.0007915300000000 ] - [ 0.0008939600000000, 0.0007907700000000, 0.0005412700000000 ] - [ 0.0000872700000000, 0.0000514800000000, -0.0010053300000000 ] - [ -0.0420587300000000, -0.0543045400000000, 0.0000000000000000 ] - [ -0.0007318800000000, -0.0004246700000000, 0.0000000000000000 ] - [ -0.0000739200000000, 0.0033943600000000, 0.0000000000000000 ] - [ 0.0006265600000000, 0.0003477500000000, 0.0000000000000000 ] - [ -0.0001693400000000, -0.0005798800000000, 0.0000091400000000 ] - [ -0.0001693400000000, -0.0005798800000000, -0.0000091400000000 ] - [ 0.0000706800000000, 0.0012011000000000, -0.0000014800000000 ] - [ 0.0000706800000000, 0.0012011000000000, 0.0000014800000000 ] - [ 0.0021844700000000, 0.0004242500000000, -0.0017406400000000 ] - [ 0.0002674800000000, -0.0005712500000000, 0.0005114800000000 ] - [ -0.0022720200000000, 0.0045492300000000, -0.0040918100000000 ] - [ -0.0002437100000000, 0.0007174500000000, 0.0007534300000000 ] - [ 0.0050664900000000, 0.0028256300000000, 0.0047127500000000 ] - [ 0.0002326300000000, 0.0004422000000000, -0.0006256000000000 ] - [ -0.0008761600000000, -0.0004496600000000, -0.0000878700000000 ] - [ -0.0002196300000000, -0.0005124500000000, -0.0003584500000000 ] - [ -0.0022720200000000, 0.0045492300000000, 0.0040918100000000 ] - [ -0.0002437100000000, 0.0007174500000000, -0.0007534300000000 ] - [ 0.0021844700000000, 0.0004242500000000, 0.0017406400000000 ] - [ 0.0002674800000000, -0.0005712500000000, -0.0005114800000000 ] - [ -0.0008761600000000, -0.0004496600000000, 0.0000878700000000 ] - [ -0.0002196300000000, -0.0005124500000000, 0.0003584500000000 ] - [ 0.0050664900000000, 0.0028256300000000, -0.0047127500000000 ] - [ 0.0002326300000000, 0.0004422000000000, 0.0006256000000000 ] - [ 0.0000176900000000, -0.0015187500000000, 0.0002754300000000 ] - [ 0.0000176900000000, -0.0015187500000000, -0.0002754300000000 ] - [ 0.0005739400000000, 0.0018091300000000, -0.0005122900000000 ] - [ 0.0005739400000000, 0.0018091300000000, 0.0005122900000000 ] - [ -0.0004012100000000, -0.0043402000000000, 0.0000000000000000 ] - [ 0.0001066500000000, -0.0004481500000000, 0.0000000000000000 ] - [ -0.0001902600000000, 0.0016723600000000, 0.0000000000000000 ] - [ -0.0000603500000000, 0.0003739800000000, 0.0000000000000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0294574200000000, -0.0271780200000000, 0.0000000000000000 ] - [ 0.0002300900000000, -0.0009635000000000, 0.0000000000000000 ] - [ -0.0014868300000000, 0.0019220100000000, 0.0000000000000000 ] - [ -0.0002936700000000, 0.0007759900000000, 0.0000000000000000 ] - [ 0.0007695300000000, -0.0003971100000000, 0.0013477000000000 ] - [ 0.0007695300000000, -0.0003971100000000, -0.0013477000000000 ] - [ -0.0003518700000000, 0.0014972800000000, 0.0019814000000000 ] - [ -0.0003518700000000, 0.0014972800000000, -0.0019814000000000 ] - [ 0.0004986900000000, 0.0019016700000000, 0.0000964000000000 ] - [ 0.0001438700000000, 0.0002015400000000, 0.0003903700000000 ] - [ -0.0009983300000000, -0.0072979500000000, 0.0050233200000000 ] - [ -0.0001321400000000, -0.0001680300000000, 0.0004715200000000 ] - [ 0.0005901300000000, 0.0009348200000000, -0.0001573000000000 ] - [ 0.0001855100000000, 0.0000670600000000, -0.0004670900000000 ] - [ 0.0006590500000000, -0.0010296000000000, -0.0002260500000000 ] - [ -0.0000588100000000, -0.0000560000000000, -0.0004554700000000 ] - [ -0.0009983300000000, -0.0072979500000000, -0.0050233200000000 ] - [ -0.0001321400000000, -0.0001680300000000, -0.0004715200000000 ] - [ 0.0004986900000000, 0.0019016700000000, -0.0000964000000000 ] - [ 0.0001438700000000, 0.0002015400000000, -0.0003903700000000 ] - [ 0.0006590500000000, -0.0010296000000000, 0.0002260500000000 ] - [ -0.0000588100000000, -0.0000560000000000, 0.0004554700000000 ] - [ 0.0005901300000000, 0.0009348200000000, 0.0001573000000000 ] - [ 0.0001855100000000, 0.0000670600000000, 0.0004670900000000 ] - [ 0.0001938800000000, -0.0000683100000000, -0.0004858600000000 ] - [ 0.0001938800000000, -0.0000683100000000, 0.0004858600000000 ] - [ -0.0003376900000000, 0.0003208000000000, -0.0010965100000000 ] - [ -0.0003376900000000, 0.0003208000000000, 0.0010965100000000 ] - [ -0.0015413400000000, -0.0024341700000000, 0.0000000000000000 ] - [ 0.0002568100000000, -0.0003314000000000, 0.0000000000000000 ] - [ 0.0006274600000000, 0.0016059400000000, 0.0000000000000000 ] - [ -0.0002707500000000, 0.0003007300000000, 0.0000000000000000 ] - [ 0.0002800700000000, 0.0002419900000000, -0.0001436700000000 ] - [ 0.0002800700000000, 0.0002419900000000, 0.0001436700000000 ] - [ -0.0006843600000000, -0.0008746700000000, 0.0002717300000000 ] - [ -0.0006843600000000, -0.0008746700000000, -0.0002717300000000 ] - [ 0.0004557000000000, 0.0027672700000000, 0.0000000000000000 ] - [ 0.0002874700000000, 0.0003783700000000, 0.0000000000000000 ] - [ 0.0001302600000000, -0.0032931200000000, 0.0000000000000000 ] - [ -0.0002742000000000, -0.0003149000000000, 0.0000000000000000 ] - [ -0.0004100300000000, 0.0001966600000000, -0.0008363500000000 ] - [ -0.0000249800000000, -0.0000076400000000, -0.0006268400000000 ] - [ -0.0009177100000000, -0.0006995000000000, 0.0020319300000000 ] - [ -0.0000883300000000, -0.0000510000000000, 0.0004128200000000 ] - [ -0.0004100300000000, 0.0001966600000000, 0.0008363500000000 ] - [ -0.0000249800000000, -0.0000076400000000, 0.0006268400000000 ] - [ -0.0009177100000000, -0.0006995000000000, -0.0020319300000000 ] - [ -0.0000883300000000, -0.0000510000000000, -0.0004128200000000 ] - [ 0.0400084800000000, 0.0541872900000000, 0.0000000000000000 ] - [ -0.0004834500000000, 0.0000037700000000, 0.0000000000000000 ] - [ 0.0012748900000000, -0.0029684200000000, 0.0000000000000000 ] - [ 0.0005874400000000, 0.0000692900000000, 0.0000000000000000 ] - [ -0.0010445800000000, 0.0009993900000000, -0.0000068000000000 ] - [ -0.0010445800000000, 0.0009993900000000, 0.0000068000000000 ] - [ 0.0011464700000000, -0.0016224900000000, 0.0000014500000000 ] - [ 0.0011464700000000, -0.0016224900000000, -0.0000014500000000 ] - [ -0.0016857600000000, -0.0014808200000000, 0.0021860400000000 ] - [ 0.0002393700000000, -0.0004889400000000, -0.0000709500000000 ] - [ 0.0017773200000000, -0.0034911300000000, 0.0045520400000000 ] - [ -0.0002636000000000, 0.0003460100000000, -0.0003169200000000 ] - [ -0.0045275300000000, -0.0017761100000000, -0.0051295800000000 ] - [ 0.0002730500000000, 0.0006178500000000, 0.0001861400000000 ] - [ 0.0003620700000000, -0.0006214000000000, -0.0003525400000000 ] - [ -0.0002884900000000, -0.0005514900000000, -0.0000819000000000 ] - [ 0.0017773200000000, -0.0034911300000000, -0.0045520400000000 ] - [ -0.0002636000000000, 0.0003460100000000, 0.0003169200000000 ] - [ -0.0016857600000000, -0.0014808200000000, -0.0021860400000000 ] - [ 0.0002393700000000, -0.0004889400000000, 0.0000709500000000 ] - [ 0.0003620700000000, -0.0006214000000000, 0.0003525400000000 ] - [ -0.0002884900000000, -0.0005514900000000, 0.0000819000000000 ] - [ -0.0045275300000000, -0.0017761100000000, 0.0051295800000000 ] - [ 0.0002730500000000, 0.0006178500000000, -0.0001861400000000 ] - [ 0.0000912100000000, 0.0020036400000000, -0.0002661000000000 ] - [ 0.0000912100000000, 0.0020036400000000, 0.0002661000000000 ] - [ -0.0006768700000000, -0.0022933500000000, 0.0005082300000000 ] - [ -0.0006768700000000, -0.0022933500000000, -0.0005082300000000 ] - [ 0.0004755100000000, 0.0038790300000000, 0.0000000000000000 ] - [ -0.0000018200000000, -0.0000382500000000, 0.0000000000000000 ] - [ 0.0000818400000000, -0.0011859200000000, 0.0000000000000000 ] - [ -0.0000448100000000, 0.0001116400000000, 0.0000000000000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001162500000000, -0.0006945100000000, 0.0129716200000000 ] - [ 0.0003070100000000, -0.0006181200000000, -0.0015557100000000 ] - [ -0.0003068800000000, 0.0006199700000000, 0.0028897100000000 ] - [ -0.0003074500000000, 0.0006193900000000, -0.0013815300000000 ] - [ -0.0015245600000000, -0.0007420800000000, -0.0009460700000000 ] - [ 0.0021506500000000, 0.0019882900000000, -0.0009410600000000 ] - [ 0.0001103100000000, -0.0007790200000000, -0.0014689800000000 ] - [ -0.0007306900000000, -0.0004573400000000, -0.0014650800000000 ] - [ 0.0004124100000000, 0.0004725700000000, 0.0008997700000000 ] - [ 0.0000457400000000, -0.0000505300000000, -0.0001922600000000 ] - [ -0.0020729700000000, -0.0057142700000000, 0.0135211500000000 ] - [ -0.0000060900000000, -0.0001658000000000, -0.0005017100000000 ] - [ -0.0003102300000000, -0.0003411200000000, 0.0001619400000000 ] - [ 0.0002084100000000, -0.0001218300000000, -0.0008332300000000 ] - [ -0.0005617700000000, 0.0003275900000000, 0.0002085200000000 ] - [ -0.0001366500000000, 0.0001615400000000, -0.0008882100000000 ] - [ 0.0016345200000000, 0.0051436100000000, 0.0122098000000000 ] - [ -0.0002528900000000, 0.0000409600000000, -0.0012216500000000 ] - [ -0.0001545400000000, -0.0003463000000000, 0.0001786500000000 ] - [ 0.0002118400000000, 0.0001783800000000, -0.0009115600000000 ] - [ 0.0003037700000000, -0.0002014800000000, 0.0009183600000000 ] - [ -0.0001203800000000, -0.0000355000000000, -0.0001683200000000 ] - [ 0.0005691000000000, 0.0002185200000000, 0.0008809800000000 ] - [ 0.0000511300000000, -0.0000028900000000, -0.0001112300000000 ] - [ -0.0003186700000000, 0.0005565800000000, -0.0003852900000000 ] - [ 0.0009120200000000, -0.0000762000000000, -0.0003828300000000 ] - [ -0.0000320800000000, 0.0000053700000000, -0.0008901400000000 ] - [ -0.0005623900000000, -0.0004879000000000, -0.0008904100000000 ] - [ 0.0002945800000000, -0.0002432900000000, 0.0052016900000000 ] - [ 0.0002951000000000, -0.0002398200000000, -0.0007240600000000 ] - [ -0.0002949900000000, 0.0002391000000000, 0.0011234900000000 ] - [ -0.0002954400000000, 0.0002408600000000, -0.0006942700000000 ] - [ 0.0001477100000000, -0.0003061500000000, -0.0001703900000000 ] - [ 0.0004486600000000, -0.0001530400000000, -0.0001685100000000 ] - [ 0.0010804100000000, 0.0000061600000000, -0.0019603400000000 ] - [ -0.0016883800000000, 0.0004548000000000, -0.0019727300000000 ] - [ 0.0002968500000000, 0.0002303500000000, 0.0016719500000000 ] - [ 0.0002975000000000, 0.0002292600000000, -0.0007378000000000 ] - [ -0.0003023000000000, -0.0002294100000000, 0.0031917900000000 ] - [ -0.0002968400000000, -0.0002291200000000, -0.0009208600000000 ] - [ -0.0002285100000000, 0.0000565000000000, -0.0001439900000000 ] - [ 0.0000229700000000, -0.0000335100000000, -0.0012738700000000 ] - [ 0.0008340900000000, -0.0019773800000000, 0.0022117900000000 ] - [ -0.0000007300000000, 0.0002149400000000, -0.0001875200000000 ] - [ 0.0002281500000000, -0.0000593300000000, 0.0012686900000000 ] - [ -0.0000230100000000, 0.0000340500000000, 0.0001438700000000 ] - [ -0.0008516100000000, 0.0020409600000000, 0.0007254200000000 ] - [ -0.0000007600000000, -0.0002167300000000, -0.0016055700000000 ] - [ -0.0001862000000000, 0.0002463000000000, -0.0495348100000000 ] - [ -0.0006070100000000, -0.0002098200000000, 0.0013388500000000 ] - [ 0.0006075900000000, 0.0002082400000000, -0.0023176800000000 ] - [ 0.0006068200000000, 0.0002078400000000, 0.0010633600000000 ] - [ -0.0002376500000000, 0.0002171500000000, 0.0002083600000000 ] - [ -0.0009796100000000, 0.0002016700000000, 0.0002035000000000 ] - [ -0.0000420600000000, -0.0002078900000000, 0.0005860800000000 ] - [ 0.0012571700000000, -0.0002111900000000, 0.0005829200000000 ] - [ -0.0013454200000000, -0.0018827200000000, -0.0001607900000000 ] - [ 0.0004879900000000, 0.0001100500000000, 0.0015185000000000 ] - [ 0.0012634600000000, -0.0026882500000000, 0.0007953900000000 ] - [ -0.0003734200000000, 0.0005312500000000, 0.0015593800000000 ] - [ 0.0045768600000000, 0.0039527200000000, -0.0009837100000000 ] - [ 0.0001594900000000, 0.0006440300000000, 0.0011921800000000 ] - [ -0.0010225100000000, 0.0002060800000000, -0.0017469100000000 ] - [ -0.0001290500000000, -0.0008618700000000, 0.0009365900000000 ] - [ -0.0017640800000000, 0.0037415300000000, 0.0003653000000000 ] - [ -0.0001307000000000, 0.0005292400000000, 0.0011158500000000 ] - [ 0.0018460800000000, 0.0008182300000000, -0.0005925800000000 ] - [ 0.0000158400000000, -0.0011760500000000, 0.0010769100000000 ] - [ 0.0005117700000000, -0.0012735500000000, -0.0012999200000000 ] - [ -0.0003786700000000, -0.0002007600000000, 0.0013777900000000 ] - [ -0.0040486900000000, -0.0028856000000000, -0.0005069400000000 ] - [ 0.0003460300000000, 0.0004193300000000, 0.0016338300000000 ] - [ 0.0022856600000000, 0.0007412800000000, 0.0038461800000000 ] - [ -0.0022001300000000, -0.0002601200000000, 0.0038657400000000 ] - [ -0.0000345200000000, -0.0007687500000000, 0.0010300200000000 ] - [ -0.0000648800000000, 0.0002871600000000, 0.0010307200000000 ] - [ 0.0000343600000000, -0.0002357100000000, -0.0032566900000000 ] - [ 0.0000519700000000, -0.0002426900000000, 0.0009687800000000 ] - [ -0.0000528100000000, 0.0002433300000000, -0.0015116500000000 ] - [ -0.0000520200000000, 0.0002424900000000, 0.0009314400000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0020812400000000, -0.0004472200000000, 0.0000355100000000 ] - [ -0.0000619600000000, -0.0005851200000000, 0.0000589300000000 ] - [ 0.0022388000000000, 0.0000899900000000, -0.0003529400000000 ] - [ -0.0000967300000000, 0.0007278100000000, 0.0001794300000000 ] - [ 0.0004484200000000, 0.0005645800000000, 0.0000593600000000 ] - [ 0.0134054400000000, -0.0051550500000000, -0.0108268700000000 ] - [ -0.0005047300000000, -0.0004868200000000, 0.0001438900000000 ] - [ -0.0037783000000000, 0.0004323300000000, -0.0018363600000000 ] - [ 0.0090234200000000, -0.0044330700000000, -0.0000011400000000 ] - [ 0.0001588900000000, 0.0000583700000000, 0.0003716700000000 ] - [ 0.0063445500000000, 0.0015777700000000, 0.0007231700000000 ] - [ -0.0001082500000000, -0.0000603900000000, 0.0003729400000000 ] - [ -0.0004107800000000, -0.0007272000000000, -0.0003284400000000 ] - [ 0.0001064800000000, -0.0000619700000000, -0.0003474800000000 ] - [ -0.0007901700000000, 0.0015196100000000, -0.0008576300000000 ] - [ -0.0001318600000000, 0.0000783600000000, -0.0003204600000000 ] - [ -0.0001426500000000, -0.0001753800000000, 0.0002853400000000 ] - [ -0.0000654600000000, -0.0000591000000000, -0.0011015300000000 ] - [ 0.0001560500000000, 0.0001731000000000, 0.0001506100000000 ] - [ 0.0003449100000000, 0.0001890300000000, -0.0011861700000000 ] - [ -0.0001190900000000, 0.0001607100000000, 0.0001604000000000 ] - [ -0.0002464000000000, 0.0004098900000000, 0.0010397000000000 ] - [ -0.0000068100000000, -0.0001765100000000, 0.0001514800000000 ] - [ 0.0000238900000000, -0.0000216500000000, 0.0005161700000000 ] - [ 0.0003525500000000, 0.0002386400000000, -0.0000057400000000 ] - [ 0.0014802000000000, 0.0006081600000000, 0.0000374000000000 ] - [ -0.0003543300000000, -0.0002485400000000, 0.0000236700000000 ] - [ -0.0008985200000000, -0.0001077000000000, -0.0000432100000000 ] - [ -0.0014477800000000, -0.0003122300000000, 0.0004448600000000 ] - [ 0.0001816900000000, -0.0002993900000000, -0.0000661800000000 ] - [ 0.0036428100000000, 0.0016657900000000, 0.0030901200000000 ] - [ -0.0002731000000000, 0.0001974800000000, 0.0000832600000000 ] - [ 0.0004109200000000, -0.0002219900000000, -0.0000353100000000 ] - [ 0.0026008200000000, -0.0009729400000000, 0.0004324400000000 ] - [ -0.0004153100000000, 0.0002216200000000, 0.0000201700000000 ] - [ -0.0021031000000000, 0.0000198200000000, -0.0002040900000000 ] - [ -0.0005677300000000, 0.0004474100000000, 0.0002966000000000 ] - [ 0.0001811500000000, 0.0002725400000000, -0.0000915600000000 ] - [ 0.0020722400000000, -0.0000224800000000, -0.0001698800000000 ] - [ -0.0000818300000000, -0.0001892800000000, 0.0000885300000000 ] - [ 0.0026162800000000, -0.0003318800000000, -0.0005723100000000 ] - [ -0.0000191000000000, -0.0000162400000000, -0.0006809400000000 ] - [ 0.0000812400000000, -0.0001812700000000, 0.0008780400000000 ] - [ 0.0000171600000000, 0.0000000800000000, 0.0007134800000000 ] - [ -0.0002893000000000, -0.0000017200000000, -0.0000766600000000 ] - [ -0.0004292500000000, -0.0003358000000000, 0.0015681800000000 ] - [ 0.0000741300000000, -0.0000051700000000, -0.0005181100000000 ] - [ 0.0000667000000000, -0.0000799200000000, -0.0010533300000000 ] - [ 0.0012756300000000, 0.0017305900000000, -0.0015996400000000 ] - [ -0.0004478800000000, -0.0001956900000000, 0.0002341600000000 ] - [ -0.0007722300000000, -0.0018153000000000, -0.0015122800000000 ] - [ 0.0003370200000000, 0.0002190100000000, 0.0001203700000000 ] - [ -0.0007310000000000, 0.0002278900000000, 0.0000925400000000 ] - [ 0.0019467400000000, -0.0045749100000000, -0.0042957500000000 ] - [ 0.0008146500000000, -0.0002437600000000, 0.0001238400000000 ] - [ 0.0031283800000000, 0.0004026600000000, -0.0007591200000000 ] - [ -0.0448107200000000, 0.0081482500000000, 0.0090437500000000 ] - [ 0.0002127000000000, -0.0005327100000000, 0.0001440300000000 ] - [ 0.0082650000000000, -0.0003775900000000, 0.0007694400000000 ] - [ -0.0001971300000000, 0.0005419200000000, 0.0001856300000000 ] - [ 0.0012996600000000, 0.0003521400000000, -0.0001149400000000 ] - [ 0.0003307300000000, 0.0004894600000000, -0.0002708300000000 ] - [ -0.0012334200000000, -0.0006484200000000, 0.0000085500000000 ] - [ -0.0003102500000000, -0.0005447000000000, -0.0002957200000000 ] - [ 0.0001948800000000, 0.0004644600000000, -0.0006296500000000 ] - [ 0.0004406600000000, 0.0005929800000000, 0.0005469800000000 ] - [ -0.0005657400000000, -0.0005242000000000, -0.0003943600000000 ] - [ -0.0021416700000000, -0.0003036200000000, -0.0005735300000000 ] - [ -0.0007747200000000, -0.0004534300000000, 0.0004136700000000 ] - [ -0.0007747500000000, -0.0006707600000000, -0.0001296400000000 ] - [ 0.0008733800000000, 0.0005023600000000, 0.0002073300000000 ] - [ 0.0008714000000000, 0.0003081000000000, 0.0001077100000000 ] - [ -0.0000877000000000, 0.0002062200000000, -0.0001275000000000 ] - [ -0.0015850300000000, 0.0038015300000000, 0.0033566800000000 ] - [ 0.0000051000000000, -0.0002337900000000, -0.0001447700000000 ] - [ 0.0012943900000000, -0.0016803400000000, 0.0014181500000000 ] - [ 0.0021940300000000, -0.0019009100000000, 0.0013192200000000 ] - [ 0.0003446800000000, -0.0002714500000000, -0.0003758700000000 ] - [ 0.0000804600000000, 0.0027645600000000, 0.0020308500000000 ] - [ -0.0000822500000000, 0.0002824100000000, -0.0001483200000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0027052900000000, -0.0008000000000000, -0.0000350000000000 ] - [ 0.0006803600000000, -0.0006523100000000, -0.0000605800000000 ] - [ -0.0028607500000000, 0.0011498600000000, 0.0003484100000000 ] - [ -0.0005205400000000, 0.0005116500000000, -0.0001775000000000 ] - [ 0.0001674500000000, 0.0006774600000000, -0.0000585500000000 ] - [ -0.0126298100000000, 0.0062343700000000, 0.0105334500000000 ] - [ -0.0001106400000000, -0.0007508100000000, -0.0001399400000000 ] - [ 0.0031635600000000, -0.0016554300000000, 0.0018064800000000 ] - [ -0.0084173900000000, 0.0041690700000000, 0.0006892500000000 ] - [ 0.0001017000000000, 0.0000688300000000, 0.0003502900000000 ] - [ -0.0061330800000000, -0.0013880500000000, -0.0000247300000000 ] - [ -0.0001481700000000, -0.0000661200000000, 0.0003485100000000 ] - [ 0.0006666100000000, 0.0006059300000000, -0.0003890400000000 ] - [ 0.0001522500000000, -0.0000645400000000, -0.0003721900000000 ] - [ 0.0005293300000000, -0.0014003500000000, 0.0001369200000000 ] - [ -0.0001263400000000, 0.0000500600000000, -0.0003976900000000 ] - [ -0.0001121500000000, 0.0000465100000000, -0.0010015700000000 ] - [ -0.0001828500000000, -0.0000732200000000, 0.0003804200000000 ] - [ 0.0001053700000000, -0.0000458000000000, -0.0008690700000000 ] - [ -0.0000781300000000, -0.0000633600000000, 0.0004617800000000 ] - [ -0.0001414700000000, -0.0000336400000000, 0.0005598000000000 ] - [ -0.0000132500000000, -0.0002792600000000, -0.0003197600000000 ] - [ 0.0002644300000000, 0.0000498200000000, 0.0005699400000000 ] - [ 0.0002343200000000, -0.0001040900000000, 0.0002011000000000 ] - [ 0.0002352900000000, 0.0002465000000000, 0.0000052400000000 ] - [ -0.0008980500000000, -0.0001155400000000, -0.0000388300000000 ] - [ -0.0002351100000000, -0.0002337200000000, -0.0000214100000000 ] - [ 0.0003135600000000, -0.0003730900000000, 0.0000398100000000 ] - [ 0.0020390300000000, -0.0001768000000000, -0.0004321800000000 ] - [ 0.0004092900000000, -0.0001847300000000, 0.0000652300000000 ] - [ -0.0041939300000000, -0.0011674600000000, -0.0030530500000000 ] - [ -0.0003158800000000, 0.0002835600000000, -0.0000776100000000 ] - [ 0.0001857700000000, -0.0002361100000000, 0.0000359900000000 ] - [ -0.0020155900000000, 0.0004988700000000, -0.0004243300000000 ] - [ -0.0001793000000000, 0.0002349300000000, -0.0000185100000000 ] - [ 0.0015106000000000, 0.0004290600000000, 0.0001963700000000 ] - [ 0.0011666700000000, 0.0000146800000000, -0.0002921000000000 ] - [ 0.0004168000000000, 0.0001848200000000, 0.0000904500000000 ] - [ -0.0026721900000000, -0.0004212900000000, 0.0001584900000000 ] - [ -0.0005138400000000, -0.0002645300000000, -0.0000840400000000 ] - [ -0.0030336900000000, 0.0003077400000000, -0.0008748100000000 ] - [ 0.0000189900000000, 0.0000159900000000, -0.0007352700000000 ] - [ -0.0000767100000000, 0.0001844100000000, 0.0005358700000000 ] - [ -0.0000161700000000, -0.0000001400000000, 0.0007045900000000 ] - [ 0.0002869400000000, 0.0000022100000000, 0.0015000100000000 ] - [ 0.0004233900000000, 0.0003324200000000, -0.0001572400000000 ] - [ -0.0000714600000000, 0.0000051600000000, -0.0008989600000000 ] - [ -0.0000647100000000, 0.0000841500000000, -0.0003619400000000 ] - [ -0.0024938400000000, -0.0021394100000000, 0.0015932800000000 ] - [ -0.0007688200000000, -0.0002234000000000, -0.0002361700000000 ] - [ 0.0019804500000000, 0.0022339500000000, 0.0015141600000000 ] - [ 0.0008774000000000, 0.0001991600000000, -0.0001222200000000 ] - [ -0.0004800600000000, 0.0001878300000000, -0.0000953500000000 ] - [ -0.0031357700000000, 0.0050185300000000, 0.0043304700000000 ] - [ 0.0004025900000000, -0.0001740200000000, -0.0001262000000000 ] - [ -0.0019130000000000, -0.0008347400000000, 0.0007745500000000 ] - [ 0.0446770000000000, -0.0089638100000000, -0.0082459300000000 ] - [ 0.0002971400000000, -0.0005307600000000, 0.0002917400000000 ] - [ -0.0087521600000000, 0.0014290700000000, -0.0003198600000000 ] - [ -0.0003100100000000, 0.0005237100000000, 0.0002509600000000 ] - [ -0.0007912500000000, 0.0007089600000000, -0.0003256600000000 ] - [ 0.0001772500000000, 0.0005728200000000, -0.0001706300000000 ] - [ 0.0007310700000000, -0.0004192700000000, -0.0004438600000000 ] - [ -0.0001962900000000, -0.0005196600000000, -0.0001466000000000 ] - [ -0.0007024800000000, 0.0005977000000000, 0.0001829100000000 ] - [ -0.0009497700000000, 0.0004725900000000, -0.0009757300000000 ] - [ 0.0010730100000000, -0.0005410000000000, -0.0000396700000000 ] - [ 0.0026496200000000, -0.0007508800000000, 0.0000931600000000 ] - [ 0.0002708400000000, -0.0006150500000000, 0.0000244400000000 ] - [ 0.0002706600000000, -0.0003944600000000, 0.0005691600000000 ] - [ -0.0003642900000000, 0.0005610200000000, 0.0002309200000000 ] - [ -0.0003656700000000, 0.0007533200000000, 0.0003337200000000 ] - [ 0.0001919900000000, 0.0002765400000000, 0.0001253700000000 ] - [ 0.0016446700000000, -0.0033328600000000, -0.0033530400000000 ] - [ -0.0001096600000000, -0.0002508200000000, 0.0001429800000000 ] - [ -0.0014088300000000, 0.0011835200000000, -0.0014104300000000 ] - [ -0.0020905000000000, 0.0014333500000000, -0.0013318900000000 ] - [ -0.0002369700000000, -0.0002127600000000, 0.0003760700000000 ] - [ -0.0001710400000000, -0.0022903400000000, -0.0020405900000000 ] - [ -0.0000190700000000, 0.0002035100000000, 0.0001474700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003683700000000, -0.0017244600000000, 0.0002706700000000 ] - [ 0.0001867700000000, -0.0007923600000000, -0.0004572700000000 ] - [ -0.0015932600000000, -0.0036615000000000, -0.0011447600000000 ] - [ -0.0002835100000000, 0.0005041600000000, -0.0000182900000000 ] - [ 0.0003041700000000, 0.0008025500000000, -0.0002388300000000 ] - [ -0.0053625600000000, 0.0351426500000000, 0.0395036800000000 ] - [ -0.0002984600000000, -0.0005329400000000, -0.0003260900000000 ] - [ 0.0006065800000000, 0.0009838400000000, 0.0010842600000000 ] - [ -0.0041856500000000, 0.0081546100000000, 0.0007214300000000 ] - [ 0.0001105500000000, 0.0000885200000000, 0.0002634600000000 ] - [ 0.0020377900000000, 0.0064283400000000, 0.0009829800000000 ] - [ -0.0001137600000000, 0.0000260000000000, 0.0002249100000000 ] - [ -0.0007222600000000, -0.0012336900000000, -0.0003246400000000 ] - [ 0.0001083900000000, -0.0001381500000000, -0.0004524200000000 ] - [ 0.0008753100000000, -0.0013803000000000, 0.0002481400000000 ] - [ -0.0001776900000000, 0.0000321300000000, -0.0004934200000000 ] - [ -0.0002471900000000, 0.0003107400000000, 0.0000050200000000 ] - [ -0.0005888900000000, 0.0009607500000000, -0.0013017000000000 ] - [ 0.0003975900000000, 0.0003435700000000, -0.0011743700000000 ] - [ 0.0004447100000000, 0.0003235900000000, 0.0008231300000000 ] - [ -0.0000261400000000, -0.0001947600000000, 0.0006579000000000 ] - [ -0.0000051000000000, -0.0005403000000000, -0.0004578100000000 ] - [ -0.0000440600000000, -0.0003523500000000, -0.0000349300000000 ] - [ -0.0001334100000000, -0.0005242800000000, 0.0008267000000000 ] - [ 0.0002945100000000, 0.0001699400000000, -0.0000989900000000 ] - [ 0.0007917100000000, -0.0020165200000000, -0.0000374400000000 ] - [ -0.0002686200000000, -0.0003415200000000, -0.0000965200000000 ] - [ -0.0003067500000000, -0.0011944400000000, 0.0001046600000000 ] - [ 0.0001473500000000, 0.0004891400000000, -0.0000738200000000 ] - [ 0.0003051300000000, -0.0000628500000000, -0.0000729200000000 ] - [ 0.0009299900000000, 0.0072458000000000, 0.0071695400000000 ] - [ -0.0003095300000000, 0.0003513100000000, -0.0000666600000000 ] - [ 0.0002816700000000, -0.0002135100000000, -0.0003442500000000 ] - [ -0.0010190300000000, -0.0020696900000000, 0.0029353200000000 ] - [ -0.0003095300000000, 0.0003007900000000, -0.0000134800000000 ] - [ -0.0005156200000000, 0.0006676000000000, 0.0000915500000000 ] - [ 0.0006640900000000, -0.0001091700000000, -0.0002499800000000 ] - [ 0.0003139700000000, 0.0001063600000000, 0.0000885500000000 ] - [ 0.0001770300000000, -0.0016142200000000, 0.0026128800000000 ] - [ -0.0002347700000000, -0.0002727600000000, -0.0006155400000000 ] - [ -0.0004570600000000, 0.0031473300000000, -0.0004790700000000 ] - [ 0.0000071600000000, 0.0000918500000000, -0.0008434600000000 ] - [ 0.0000364000000000, -0.0023535200000000, 0.0012745900000000 ] - [ 0.0000422300000000, -0.0001039800000000, 0.0005487000000000 ] - [ -0.0001109500000000, 0.0005748300000000, 0.0004720600000000 ] - [ 0.0000830800000000, 0.0010384300000000, 0.0007661300000000 ] - [ 0.0001248000000000, -0.0006469400000000, -0.0007738800000000 ] - [ -0.0000126000000000, -0.0011940600000000, -0.0009833200000000 ] - [ 0.0012462100000000, 0.0007371200000000, -0.0013515600000000 ] - [ -0.0003976500000000, -0.0002535700000000, 0.0006438400000000 ] - [ -0.0004167800000000, 0.0042286600000000, 0.0032051200000000 ] - [ 0.0006496700000000, 0.0003976900000000, -0.0000003900000000 ] - [ -0.0005074100000000, 0.0001206700000000, 0.0001116900000000 ] - [ -0.0064689000000000, 0.0025083500000000, 0.0034315600000000 ] - [ 0.0007054500000000, -0.0001911200000000, 0.0003300900000000 ] - [ 0.0020738100000000, -0.0001209300000000, -0.0007408900000000 ] - [ 0.0086374300000000, -0.0636955300000000, -0.0635383100000000 ] - [ 0.0002536700000000, -0.0006181400000000, 0.0004977600000000 ] - [ -0.0011652700000000, -0.0016660600000000, -0.0001586300000000 ] - [ -0.0002454000000000, 0.0003471700000000, 0.0004683200000000 ] - [ 0.0004325100000000, 0.0018149100000000, -0.0004810400000000 ] - [ 0.0002955800000000, 0.0007460400000000, 0.0000942300000000 ] - [ -0.0001420000000000, 0.0032531300000000, -0.0006181700000000 ] - [ -0.0002418400000000, -0.0004269400000000, -0.0000430000000000 ] - [ -0.0003208900000000, 0.0000925500000000, 0.0000659600000000 ] - [ -0.0001946800000000, -0.0007841800000000, -0.0008150700000000 ] - [ 0.0002630600000000, -0.0018511800000000, 0.0002944700000000 ] - [ 0.0004757400000000, -0.0044771300000000, 0.0004936300000000 ] - [ -0.0001172300000000, 0.0011955900000000, 0.0007533600000000 ] - [ -0.0003357600000000, 0.0011908900000000, -0.0000004100000000 ] - [ 0.0004767800000000, 0.0013573600000000, -0.0000934900000000 ] - [ 0.0002836500000000, 0.0013589200000000, 0.0005195000000000 ] - [ -0.0000563500000000, 0.0002080800000000, 0.0000622000000000 ] - [ 0.0051068200000000, 0.0064524700000000, 0.0056026900000000 ] - [ -0.0001908500000000, -0.0002137700000000, 0.0003813000000000 ] - [ -0.0025587200000000, 0.0016200700000000, -0.0017987600000000 ] - [ -0.0008755300000000, -0.0004461400000000, -0.0005049900000000 ] - [ -0.0000802000000000, -0.0003164100000000, 0.0005105200000000 ] - [ 0.0019465300000000, 0.0021741300000000, 0.0022167600000000 ] - [ -0.0001076500000000, 0.0002406900000000, -0.0000406700000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009864000000000, 0.0004859700000000, -0.0002697600000000 ] - [ 0.0004292100000000, -0.0004457900000000, 0.0004537500000000 ] - [ 0.0009813600000000, 0.0049057500000000, 0.0011655200000000 ] - [ -0.0003352900000000, 0.0007312800000000, 0.0000137900000000 ] - [ 0.0003123500000000, 0.0004400000000000, 0.0002386100000000 ] - [ 0.0057897500000000, -0.0336388700000000, -0.0381928700000000 ] - [ -0.0003190900000000, -0.0007084700000000, 0.0003260200000000 ] - [ -0.0012224900000000, -0.0022399200000000, -0.0010734700000000 ] - [ 0.0048306800000000, -0.0083321700000000, -0.0000343000000000 ] - [ 0.0001487800000000, 0.0000379200000000, 0.0004575600000000 ] - [ -0.0021095900000000, -0.0064534500000000, -0.0002728500000000 ] - [ -0.0001436500000000, -0.0001536400000000, 0.0004958800000000 ] - [ 0.0009886500000000, 0.0011051300000000, -0.0003923100000000 ] - [ 0.0001499800000000, 0.0000097600000000, -0.0002676500000000 ] - [ -0.0011234300000000, 0.0015056300000000, -0.0009684000000000 ] - [ -0.0000810700000000, 0.0000961200000000, -0.0002257600000000 ] - [ -0.0000106700000000, -0.0004374300000000, -0.0007262500000000 ] - [ 0.0003364000000000, -0.0010846700000000, 0.0005841100000000 ] - [ -0.0001386700000000, -0.0002204200000000, 0.0004536700000000 ] - [ -0.0001856300000000, -0.0002028800000000, -0.0015453000000000 ] - [ -0.0002300500000000, 0.0003228700000000, 0.0000625900000000 ] - [ -0.0002535800000000, 0.0006702200000000, 0.0011778300000000 ] - [ 0.0003027700000000, 0.0002231600000000, 0.0007552800000000 ] - [ 0.0003961900000000, 0.0003959200000000, -0.0001099000000000 ] - [ 0.0002925300000000, 0.0003157100000000, 0.0000996400000000 ] - [ -0.0002029600000000, 0.0025049100000000, 0.0000291200000000 ] - [ -0.0003215500000000, -0.0001432400000000, 0.0000976400000000 ] - [ -0.0002824100000000, 0.0007071100000000, -0.0001058300000000 ] - [ 0.0004431800000000, -0.0009729700000000, 0.0000687300000000 ] - [ 0.0002849300000000, -0.0004214500000000, 0.0000732600000000 ] - [ -0.0015550000000000, -0.0067682300000000, -0.0073652400000000 ] - [ -0.0002809000000000, 0.0001291000000000, 0.0000711900000000 ] - [ 0.0003147900000000, -0.0002466500000000, 0.0003449500000000 ] - [ 0.0016020400000000, 0.0015348300000000, -0.0028956800000000 ] - [ -0.0002867900000000, 0.0001555800000000, 0.0000134100000000 ] - [ -0.0000824100000000, -0.0002072700000000, -0.0000899500000000 ] - [ -0.0000687300000000, 0.0005629300000000, 0.0002493300000000 ] - [ 0.0002828500000000, 0.0003487300000000, -0.0000887000000000 ] - [ -0.0007775400000000, 0.0012026500000000, -0.0026324100000000 ] - [ -0.0003614200000000, -0.0001815400000000, 0.0006172400000000 ] - [ 0.0004587900000000, -0.0031500000000000, -0.0009392500000000 ] - [ -0.0000076700000000, -0.0000931300000000, -0.0005741100000000 ] - [ -0.0000433900000000, 0.0023524500000000, 0.0001442100000000 ] - [ -0.0000425900000000, 0.0001028900000000, 0.0008695700000000 ] - [ 0.0001088900000000, -0.0005767300000000, 0.0009436000000000 ] - [ -0.0000864700000000, -0.0010419300000000, 0.0006535700000000 ] - [ -0.0001264400000000, 0.0006459900000000, -0.0006435400000000 ] - [ 0.0000115600000000, 0.0011942400000000, -0.0004357700000000 ] - [ -0.0024556800000000, -0.0011652300000000, 0.0013495500000000 ] - [ -0.0008201300000000, -0.0001690100000000, -0.0006421700000000 ] - [ 0.0016464500000000, -0.0038145000000000, -0.0032245400000000 ] - [ 0.0005685400000000, 0.0000236900000000, 0.0000008600000000 ] - [ -0.0007087300000000, 0.0002937000000000, -0.0001130600000000 ] - [ 0.0052193400000000, -0.0020955200000000, -0.0034067100000000 ] - [ 0.0005115900000000, -0.0002274300000000, -0.0003308700000000 ] - [ -0.0008681100000000, -0.0002895800000000, 0.0007392700000000 ] - [ -0.0084755300000000, 0.0626369100000000, 0.0628413000000000 ] - [ 0.0002552700000000, -0.0004477400000000, -0.0000622100000000 ] - [ 0.0006415200000000, 0.0027394500000000, 0.0005915800000000 ] - [ -0.0002628100000000, 0.0007181400000000, -0.0000323900000000 ] - [ 0.0000763400000000, -0.0007549100000000, 0.0000391900000000 ] - [ 0.0002119700000000, 0.0003164900000000, -0.0005323500000000 ] - [ -0.0003705000000000, -0.0043196500000000, 0.0001756300000000 ] - [ -0.0002663800000000, -0.0006391900000000, -0.0003949300000000 ] - [ -0.0001875600000000, 0.0009714900000000, -0.0005021200000000 ] - [ -0.0003156300000000, 0.0018485800000000, 0.0003757700000000 ] - [ 0.0002450100000000, 0.0007831300000000, -0.0007224600000000 ] - [ 0.0000274500000000, 0.0034316200000000, -0.0009618000000000 ] - [ -0.0003920400000000, -0.0022589400000000, -0.0003220500000000 ] - [ -0.0001732300000000, -0.0022625300000000, 0.0004461400000000 ] - [ 0.0000320600000000, -0.0002976200000000, 0.0005335700000000 ] - [ 0.0002240100000000, -0.0002956100000000, -0.0000797600000000 ] - [ 0.0001612700000000, 0.0002720500000000, -0.0000640000000000 ] - [ -0.0049530100000000, -0.0059390200000000, -0.0055432900000000 ] - [ 0.0000864500000000, -0.0002701400000000, -0.0003825900000000 ] - [ 0.0024647400000000, -0.0021007100000000, 0.0018041300000000 ] - [ 0.0009793700000000, -0.0000484600000000, 0.0005060200000000 ] - [ 0.0001875400000000, -0.0001710600000000, -0.0005102300000000 ] - [ -0.0020639600000000, -0.0016808000000000, -0.0022272500000000 ] - [ 0.0000017800000000, 0.0002463700000000, 0.0000410100000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0010559400000000, 0.0007356600000000, 0.0012633200000000 ] - [ 0.0001644500000000, -0.0010408900000000, -0.0012137400000000 ] - [ -0.0011711500000000, -0.0023093900000000, 0.0010011900000000 ] - [ -0.0001505800000000, 0.0009914800000000, -0.0017009500000000 ] - [ 0.0000797700000000, 0.0016547400000000, -0.0034313800000000 ] - [ -0.0101560800000000, 0.0396902600000000, 0.0773729000000000 ] - [ -0.0002561800000000, -0.0006453800000000, -0.0015943800000000 ] - [ -0.0011342000000000, -0.0011161700000000, 0.0025003900000000 ] - [ 0.0004203300000000, -0.0001967000000000, 0.0054316900000000 ] - [ 0.0000389100000000, -0.0000426900000000, -0.0005083000000000 ] - [ 0.0006935700000000, 0.0006801500000000, 0.0059849000000000 ] - [ -0.0001065300000000, 0.0000182900000000, -0.0005528500000000 ] - [ -0.0000579100000000, -0.0002535200000000, 0.0008692700000000 ] - [ 0.0002036400000000, -0.0001626300000000, -0.0010380400000000 ] - [ -0.0005877800000000, 0.0001921100000000, 0.0017305500000000 ] - [ -0.0001451900000000, 0.0001766700000000, -0.0011193700000000 ] - [ 0.0007605300000000, 0.0003148800000000, -0.0016225800000000 ] - [ -0.0017790500000000, -0.0003892900000000, -0.0012549000000000 ] - [ 0.0009429600000000, -0.0004457900000000, -0.0016182200000000 ] - [ -0.0012276000000000, 0.0012470300000000, -0.0009615200000000 ] - [ -0.0005358600000000, 0.0002039500000000, -0.0001634000000000 ] - [ 0.0003846200000000, -0.0005744000000000, -0.0003834800000000 ] - [ -0.0001222000000000, -0.0001551500000000, -0.0001184100000000 ] - [ 0.0004460400000000, -0.0000226400000000, 0.0003235900000000 ] - [ 0.0002511000000000, 0.0003652600000000, -0.0008458600000000 ] - [ 0.0006219000000000, -0.0011174400000000, 0.0012253900000000 ] - [ -0.0002595400000000, -0.0002918800000000, -0.0006529100000000 ] - [ -0.0005186100000000, -0.0004340900000000, 0.0006708400000000 ] - [ 0.0009035800000000, -0.0003380700000000, 0.0002023400000000 ] - [ 0.0002418900000000, -0.0001416600000000, -0.0006738500000000 ] - [ 0.0022632400000000, 0.0072969100000000, 0.0199839500000000 ] - [ -0.0000786400000000, 0.0008056100000000, -0.0017688800000000 ] - [ 0.0002140400000000, -0.0005112300000000, -0.0010579100000000 ] - [ 0.0011157600000000, 0.0020107100000000, 0.0019985400000000 ] - [ -0.0002751500000000, 0.0003081300000000, -0.0007457800000000 ] - [ -0.0002485900000000, 0.0003781100000000, 0.0009558500000000 ] - [ 0.0005018700000000, 0.0001188400000000, 0.0004058800000000 ] - [ 0.0002380000000000, 0.0001921900000000, -0.0005512700000000 ] - [ -0.0008380800000000, 0.0037688100000000, -0.0005353000000000 ] - [ -0.0002173700000000, -0.0009008100000000, -0.0015512800000000 ] - [ -0.0009630700000000, 0.0001939800000000, 0.0028181400000000 ] - [ 0.0000612100000000, -0.0000124800000000, -0.0016745000000000 ] - [ 0.0001492500000000, -0.0003344800000000, 0.0025647700000000 ] - [ -0.0000252800000000, 0.0000134400000000, -0.0001227200000000 ] - [ -0.0011018800000000, -0.0000174200000000, -0.0004210700000000 ] - [ 0.0015334100000000, 0.0005159800000000, 0.0001457700000000 ] - [ 0.0002663300000000, 0.0000637500000000, -0.0012735600000000 ] - [ -0.0002733200000000, -0.0005006800000000, -0.0010895300000000 ] - [ -0.0031036300000000, -0.0021717600000000, -0.0003707100000000 ] - [ -0.0000310300000000, 0.0000830900000000, 0.0012972300000000 ] - [ -0.0006433700000000, 0.0045273700000000, 0.0005872800000000 ] - [ 0.0009067800000000, -0.0003295600000000, 0.0013379300000000 ] - [ -0.0001042600000000, -0.0001950600000000, 0.0014124100000000 ] - [ -0.0075039900000000, 0.0051482300000000, -0.0007526800000000 ] - [ 0.0007222600000000, -0.0000714000000000, 0.0011577100000000 ] - [ -0.0001624500000000, -0.0003383000000000, -0.0015289500000000 ] - [ 0.0093635200000000, -0.0647549300000000, -0.1215013000000000 ] - [ 0.0001803400000000, -0.0002513200000000, 0.0032245900000000 ] - [ -0.0008058500000000, 0.0009095200000000, -0.0032640500000000 ] - [ -0.0002206500000000, 0.0002815800000000, 0.0016985200000000 ] - [ 0.0001492400000000, 0.0002711800000000, -0.0025632000000000 ] - [ 0.0003041000000000, 0.0008443800000000, 0.0011887100000000 ] - [ -0.0000276200000000, -0.0001343500000000, -0.0035120800000000 ] - [ -0.0003285300000000, -0.0007073000000000, 0.0014937300000000 ] - [ -0.0006583200000000, 0.0008150500000000, 0.0009190400000000 ] - [ 0.0005103100000000, -0.0000656800000000, -0.0007136600000000 ] - [ 0.0004300500000000, -0.0010411900000000, 0.0056479800000000 ] - [ 0.0005910800000000, -0.0012665200000000, 0.0103804500000000 ] - [ 0.0000952500000000, -0.0007521200000000, 0.0012637000000000 ] - [ -0.0004486400000000, 0.0000051200000000, 0.0012597700000000 ] - [ 0.0001415500000000, 0.0002304100000000, 0.0007633700000000 ] - [ 0.0002419400000000, 0.0008456700000000, 0.0007582200000000 ] - [ -0.0002941300000000, -0.0002495100000000, 0.0014845900000000 ] - [ 0.0053197200000000, 0.0077080100000000, -0.0007665100000000 ] - [ -0.0002417400000000, -0.0001105700000000, 0.0011792700000000 ] - [ 0.0013139600000000, -0.0008277400000000, -0.0015009800000000 ] - [ 0.0016785400000000, -0.0011992500000000, -0.0005501500000000 ] - [ -0.0004007300000000, -0.0000557400000000, 0.0012352400000000 ] - [ 0.0022669500000000, 0.0030522800000000, 0.0003096300000000 ] - [ -0.0005631800000000, -0.0001816500000000, 0.0012215700000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004397100000000, -0.0019724900000000, -0.0012660200000000 ] - [ 0.0004503600000000, -0.0002002700000000, 0.0012155400000000 ] - [ 0.0005571000000000, 0.0035432700000000, -0.0010118300000000 ] - [ -0.0004658300000000, 0.0002521500000000, 0.0017023000000000 ] - [ 0.0005386300000000, -0.0004237000000000, 0.0034349100000000 ] - [ 0.0101376700000000, -0.0359426800000000, -0.0740348800000000 ] - [ -0.0003615200000000, -0.0005925800000000, 0.0015927600000000 ] - [ 0.0005185000000000, -0.0001273800000000, -0.0024772700000000 ] - [ -0.0002004800000000, 0.0003571800000000, -0.0047068300000000 ] - [ 0.0002185200000000, 0.0001724500000000, 0.0012271400000000 ] - [ -0.0009676500000000, -0.0008163800000000, -0.0052711500000000 ] - [ -0.0001532300000000, -0.0001460000000000, 0.0012720100000000 ] - [ 0.0003135900000000, 0.0001180100000000, -0.0015869900000000 ] - [ 0.0000553200000000, 0.0000350500000000, 0.0003184100000000 ] - [ 0.0003236400000000, -0.0000549700000000, -0.0024491300000000 ] - [ -0.0001118500000000, -0.0000483600000000, 0.0004006000000000 ] - [ -0.0010254900000000, -0.0004481400000000, 0.0009084800000000 ] - [ 0.0015130700000000, 0.0002552700000000, 0.0005400700000000 ] - [ -0.0006886400000000, 0.0005798900000000, 0.0009019000000000 ] - [ 0.0014780900000000, -0.0011108100000000, 0.0002452800000000 ] - [ 0.0002801900000000, -0.0000775600000000, 0.0008805300000000 ] - [ -0.0006401100000000, 0.0007035500000000, 0.0011036900000000 ] - [ 0.0003805500000000, 0.0000270100000000, 0.0008345700000000 ] - [ -0.0001848400000000, -0.0001059600000000, 0.0003980900000000 ] - [ 0.0003384700000000, 0.0001182900000000, 0.0008443300000000 ] - [ -0.0000344800000000, 0.0016027900000000, -0.0012205500000000 ] - [ -0.0003313900000000, -0.0001910300000000, 0.0006518700000000 ] - [ -0.0000708100000000, -0.0000532600000000, -0.0006701000000000 ] - [ -0.0003198900000000, -0.0001457200000000, -0.0002114700000000 ] - [ 0.0003468500000000, -0.0003417700000000, 0.0006752000000000 ] - [ -0.0030669100000000, -0.0073843700000000, -0.0211210500000000 ] - [ -0.0005082500000000, -0.0003184800000000, 0.0017680900000000 ] - [ 0.0003831300000000, 0.0000558900000000, 0.0010566000000000 ] - [ -0.0005292100000000, -0.0025048500000000, -0.0019545600000000 ] - [ -0.0003211700000000, 0.0001478900000000, 0.0007440600000000 ] - [ -0.0003474900000000, 0.0000812800000000, -0.0009510000000000 ] - [ 0.0000937600000000, 0.0003359100000000, -0.0004105400000000 ] - [ 0.0003584300000000, 0.0002640500000000, 0.0005532700000000 ] - [ 0.0002402400000000, -0.0042051100000000, 0.0004935800000000 ] - [ -0.0003778700000000, 0.0004386500000000, 0.0015498600000000 ] - [ 0.0009690200000000, -0.0001926500000000, -0.0042348900000000 ] - [ -0.0000588300000000, 0.0000127300000000, 0.0002552800000000 ] - [ -0.0001480000000000, 0.0003343500000000, -0.0011477100000000 ] - [ 0.0000245200000000, -0.0000140800000000, 0.0015408400000000 ] - [ 0.0011087700000000, 0.0000188000000000, 0.0018391800000000 ] - [ -0.0015247100000000, -0.0005160100000000, 0.0012759200000000 ] - [ -0.0002670800000000, -0.0000648700000000, -0.0001473500000000 ] - [ 0.0002721100000000, 0.0005004200000000, -0.0003248000000000 ] - [ 0.0018932100000000, 0.0017554700000000, 0.0003811900000000 ] - [ -0.0011809100000000, -0.0004987600000000, -0.0012981100000000 ] - [ 0.0018631200000000, -0.0041178300000000, -0.0005727500000000 ] - [ 0.0003132600000000, 0.0007406200000000, -0.0013371600000000 ] - [ -0.0011157700000000, 0.0006152800000000, -0.0014125800000000 ] - [ 0.0062329700000000, -0.0046932000000000, 0.0007363900000000 ] - [ 0.0004943000000000, -0.0003479400000000, -0.0011556300000000 ] - [ 0.0013787100000000, -0.0000728500000000, 0.0015178600000000 ] - [ -0.0079310700000000, 0.0616674200000000, 0.1195961400000000 ] - [ 0.0003279500000000, -0.0008111500000000, -0.0027830200000000 ] - [ 0.0002828300000000, 0.0001591500000000, 0.0037000300000000 ] - [ -0.0002860400000000, 0.0007827300000000, -0.0012598700000000 ] - [ 0.0003604300000000, 0.0007923700000000, 0.0021230700000000 ] - [ 0.0002038200000000, 0.0002186000000000, -0.0016282300000000 ] - [ -0.0004801700000000, -0.0009268300000000, 0.0030775200000000 ] - [ -0.0001802200000000, -0.0003559400000000, -0.0019323600000000 ] - [ 0.0001539900000000, 0.0002475400000000, -0.0013552500000000 ] - [ -0.0010131600000000, 0.0011247900000000, 0.0002628300000000 ] - [ 0.0000749400000000, -0.0000243700000000, -0.0061106700000000 ] - [ -0.0000755400000000, 0.0001893000000000, -0.0106662700000000 ] - [ -0.0006035400000000, -0.0003064300000000, -0.0008212800000000 ] - [ -0.0000598300000000, -0.0010688900000000, -0.0008250200000000 ] - [ 0.0003674500000000, 0.0008301800000000, -0.0003179500000000 ] - [ 0.0002654000000000, 0.0002198800000000, -0.0003237500000000 ] - [ 0.0004022800000000, 0.0007382200000000, -0.0014850200000000 ] - [ -0.0051652200000000, -0.0071644900000000, 0.0007456100000000 ] - [ 0.0001382300000000, -0.0003758200000000, -0.0011777000000000 ] - [ -0.0014210900000000, 0.0003484100000000, 0.0014866700000000 ] - [ -0.0015742900000000, 0.0007092400000000, 0.0005599300000000 ] - [ 0.0005033000000000, -0.0004273900000000, -0.0012366700000000 ] - [ -0.0023778000000000, -0.0025657400000000, -0.0002921500000000 ] - [ 0.0004533400000000, 0.0006630700000000, -0.0012220300000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0010672200000000, -0.0003130500000000, -0.0014580900000000 ] - [ -0.0010672200000000, -0.0003130500000000, 0.0014580900000000 ] - [ 0.0003019000000000, 0.0009125500000000, 0.0011294700000000 ] - [ 0.0003019000000000, 0.0009125500000000, -0.0011294700000000 ] - [ 0.0456978700000000, 0.0303712500000000, 0.0000000000000000 ] - [ 0.0004061100000000, 0.0008975500000000, 0.0000000000000000 ] - [ -0.0018132000000000, 0.0010868500000000, 0.0000000000000000 ] - [ -0.0003971800000000, -0.0004968400000000, 0.0000000000000000 ] - [ 0.0003051600000000, 0.0000628200000000, 0.0004190500000000 ] - [ 0.0014740000000000, -0.0001306700000000, 0.0006041100000000 ] - [ 0.0001025100000000, 0.0000980000000000, 0.0002362400000000 ] - [ 0.0049821300000000, -0.0007839400000000, -0.0009360800000000 ] - [ -0.0000981900000000, -0.0001446000000000, -0.0003017800000000 ] - [ -0.0006590300000000, -0.0001161000000000, -0.0003859500000000 ] - [ -0.0003502200000000, 0.0000640200000000, -0.0003329400000000 ] - [ -0.0018024400000000, 0.0006933800000000, -0.0014911900000000 ] - [ 0.0049821300000000, -0.0007839400000000, 0.0009360800000000 ] - [ 0.0001025100000000, 0.0000980000000000, -0.0002362400000000 ] - [ 0.0014740000000000, -0.0001306700000000, -0.0006041100000000 ] - [ 0.0003051600000000, 0.0000628200000000, -0.0004190500000000 ] - [ -0.0018024400000000, 0.0006933800000000, 0.0014911900000000 ] - [ -0.0003502200000000, 0.0000640200000000, 0.0003329400000000 ] - [ -0.0006590300000000, -0.0001161000000000, 0.0003859500000000 ] - [ -0.0000981900000000, -0.0001446000000000, 0.0003017800000000 ] - [ 0.0095546100000000, -0.0025449300000000, 0.0000000000000000 ] - [ 0.0003471800000000, 0.0001976000000000, 0.0000000000000000 ] - [ -0.0019079100000000, -0.0019001800000000, 0.0000000000000000 ] - [ -0.0003083700000000, -0.0003147300000000, 0.0000000000000000 ] - [ -0.0000782600000000, -0.0000557900000000, -0.0004714500000000 ] - [ -0.0000782600000000, -0.0000557900000000, 0.0004714500000000 ] - [ -0.0002510900000000, 0.0000644900000000, 0.0008346300000000 ] - [ -0.0002510900000000, 0.0000644900000000, -0.0008346300000000 ] - [ 0.0003908500000000, -0.0010701700000000, 0.0000000000000000 ] - [ 0.0003262500000000, -0.0002205000000000, 0.0000000000000000 ] - [ -0.0062356400000000, 0.0010879300000000, 0.0000000000000000 ] - [ -0.0003976800000000, 0.0002936100000000, 0.0000000000000000 ] - [ 0.0001983200000000, 0.0001035000000000, -0.0002893100000000 ] - [ 0.0001983200000000, 0.0001035000000000, 0.0002893100000000 ] - [ 0.0001609100000000, -0.0000299500000000, 0.0011024000000000 ] - [ 0.0001609100000000, -0.0000299500000000, -0.0011024000000000 ] - [ -0.0002002300000000, 0.0000601700000000, -0.0005959000000000 ] - [ -0.0017046200000000, -0.0005467000000000, -0.0013954400000000 ] - [ 0.0002532500000000, -0.0001506500000000, 0.0005682200000000 ] - [ 0.0030304800000000, -0.0007593900000000, 0.0011663500000000 ] - [ -0.0017046200000000, -0.0005467000000000, 0.0013954400000000 ] - [ -0.0002002300000000, 0.0000601700000000, 0.0005959000000000 ] - [ 0.0030304800000000, -0.0007593900000000, -0.0011663500000000 ] - [ 0.0002532500000000, -0.0001506500000000, -0.0005682200000000 ] - [ -0.0007745100000000, -0.0002460100000000, 0.0022399600000000 ] - [ -0.0007745100000000, -0.0002460100000000, -0.0022399600000000 ] - [ -0.0005128400000000, 0.0008320900000000, -0.0000164500000000 ] - [ -0.0005128400000000, 0.0008320900000000, 0.0000164500000000 ] - [ 0.0122245100000000, 0.0006381100000000, 0.0000000000000000 ] - [ -0.0004577400000000, 0.0001534900000000, 0.0000000000000000 ] - [ 0.0024312600000000, -0.0000728100000000, 0.0000000000000000 ] - [ 0.0008499800000000, -0.0002007300000000, 0.0000000000000000 ] - [ 0.0001147800000000, -0.0006400500000000, -0.0001285800000000 ] - [ -0.0013447700000000, 0.0044949700000000, 0.0054552400000000 ] - [ -0.0001958900000000, 0.0003926900000000, 0.0004111400000000 ] - [ 0.0010941900000000, -0.0019873300000000, -0.0011514300000000 ] - [ 0.0005442400000000, 0.0006642700000000, 0.0002323700000000 ] - [ 0.0023962500000000, 0.0014646000000000, -0.0018577700000000 ] - [ -0.0002844000000000, -0.0004767900000000, -0.0007291400000000 ] - [ -0.0001206700000000, -0.0025357400000000, 0.0021011800000000 ] - [ 0.0010941900000000, -0.0019873300000000, 0.0011514300000000 ] - [ -0.0001958900000000, 0.0003926900000000, -0.0004111400000000 ] - [ -0.0013447700000000, 0.0044949700000000, -0.0054552400000000 ] - [ 0.0001147800000000, -0.0006400500000000, 0.0001285800000000 ] - [ -0.0001206700000000, -0.0025357400000000, -0.0021011800000000 ] - [ -0.0002844000000000, -0.0004767900000000, 0.0007291400000000 ] - [ 0.0023962500000000, 0.0014646000000000, 0.0018577700000000 ] - [ 0.0005442400000000, 0.0006642700000000, -0.0002323700000000 ] - [ -0.0742061000000000, -0.0300530700000000, 0.0000000000000000 ] - [ -0.0002795800000000, 0.0001316700000000, 0.0000000000000000 ] - [ -0.0008855300000000, 0.0009045700000000, 0.0000000000000000 ] - [ -0.0001956900000000, -0.0001960700000000, 0.0000000000000000 ] - [ 0.0012619700000000, -0.0006927800000000, -0.0002861800000000 ] - [ 0.0012619700000000, -0.0006927800000000, 0.0002861800000000 ] - [ 0.0006523200000000, 0.0003557200000000, -0.0005498100000000 ] - [ 0.0006523200000000, 0.0003557200000000, 0.0005498100000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016917200000000, -0.0009218900000000, 0.0014449100000000 ] - [ 0.0016917200000000, -0.0009218900000000, -0.0014449100000000 ] - [ -0.0009223600000000, 0.0003266200000000, -0.0011275500000000 ] - [ -0.0009223600000000, 0.0003266200000000, 0.0011275500000000 ] - [ -0.0467554300000000, -0.0310636100000000, 0.0000000000000000 ] - [ 0.0002089100000000, 0.0003419100000000, 0.0000000000000000 ] - [ 0.0012013600000000, -0.0023122600000000, 0.0000000000000000 ] - [ -0.0002185300000000, -0.0007421100000000, 0.0000000000000000 ] - [ -0.0000460200000000, 0.0000646800000000, 0.0003007900000000 ] - [ -0.0012106800000000, 0.0002547400000000, 0.0001145200000000 ] - [ -0.0003594200000000, -0.0002258700000000, 0.0004837300000000 ] - [ -0.0052291300000000, 0.0006218600000000, 0.0015974300000000 ] - [ 0.0003563100000000, 0.0000157800000000, -0.0004166400000000 ] - [ 0.0009135700000000, -0.0000117500000000, -0.0003331400000000 ] - [ 0.0000919800000000, 0.0000631200000000, -0.0003856500000000 ] - [ 0.0015395600000000, -0.0005712900000000, 0.0007838600000000 ] - [ -0.0052291300000000, 0.0006218600000000, -0.0015974300000000 ] - [ -0.0003594200000000, -0.0002258700000000, -0.0004837300000000 ] - [ -0.0012106800000000, 0.0002547400000000, -0.0001145200000000 ] - [ -0.0000460200000000, 0.0000646800000000, -0.0003007900000000 ] - [ 0.0015395600000000, -0.0005712900000000, -0.0007838600000000 ] - [ 0.0000919800000000, 0.0000631200000000, 0.0003856500000000 ] - [ 0.0009135700000000, -0.0000117500000000, 0.0003331400000000 ] - [ 0.0003563100000000, 0.0000157800000000, 0.0004166400000000 ] - [ -0.0094135200000000, 0.0033821100000000, 0.0000000000000000 ] - [ 0.0002390700000000, 0.0002879400000000, 0.0000000000000000 ] - [ 0.0013140000000000, 0.0013990300000000, 0.0000000000000000 ] - [ -0.0002778900000000, -0.0001710000000000, 0.0000000000000000 ] - [ 0.0006668900000000, -0.0004293500000000, 0.0004688700000000 ] - [ 0.0006668900000000, -0.0004293500000000, -0.0004688700000000 ] - [ -0.0003369900000000, 0.0004185900000000, -0.0008297000000000 ] - [ -0.0003369900000000, 0.0004185900000000, 0.0008297000000000 ] - [ 0.0002008500000000, 0.0006140300000000, 0.0000000000000000 ] - [ 0.0002691900000000, -0.0002374700000000, 0.0000000000000000 ] - [ 0.0057381000000000, -0.0006367900000000, 0.0000000000000000 ] - [ -0.0001970600000000, 0.0001626500000000, 0.0000000000000000 ] - [ 0.0003993300000000, 0.0003515900000000, 0.0002885400000000 ] - [ 0.0003993300000000, 0.0003515900000000, -0.0002885400000000 ] - [ -0.0007640900000000, -0.0004255800000000, -0.0010962400000000 ] - [ -0.0007640900000000, -0.0004255800000000, 0.0010962400000000 ] - [ 0.0001993100000000, -0.0000600000000000, -0.0008218000000000 ] - [ 0.0016980500000000, 0.0005531100000000, -0.0000145200000000 ] - [ -0.0002531500000000, 0.0001504400000000, 0.0008481800000000 ] - [ -0.0030174000000000, 0.0007724100000000, 0.0002395300000000 ] - [ 0.0016980500000000, 0.0005531100000000, 0.0000145200000000 ] - [ 0.0001993100000000, -0.0000600000000000, 0.0008218000000000 ] - [ -0.0030174000000000, 0.0007724100000000, -0.0002395300000000 ] - [ -0.0002531500000000, 0.0001504400000000, -0.0008481800000000 ] - [ -0.0004528600000000, -0.0001737600000000, -0.0022453700000000 ] - [ -0.0004528600000000, -0.0001737600000000, 0.0022453700000000 ] - [ 0.0017266800000000, -0.0004166300000000, 0.0000141800000000 ] - [ 0.0017266800000000, -0.0004166300000000, -0.0000141800000000 ] - [ -0.0135474900000000, -0.0002373800000000, 0.0000000000000000 ] - [ -0.0007526200000000, 0.0002630500000000, 0.0000000000000000 ] - [ -0.0012154100000000, -0.0003450100000000, 0.0000000000000000 ] - [ 0.0003618800000000, -0.0002165100000000, 0.0000000000000000 ] - [ 0.0003927900000000, -0.0004227600000000, 0.0005662400000000 ] - [ 0.0018837200000000, -0.0055650100000000, -0.0050304700000000 ] - [ -0.0003116300000000, 0.0006693500000000, 0.0000303200000000 ] - [ -0.0016096000000000, 0.0030368100000000, 0.0015825600000000 ] - [ -0.0000387000000000, 0.0003980200000000, -0.0006694100000000 ] - [ -0.0018888700000000, -0.0003898500000000, 0.0013966100000000 ] - [ -0.0002217300000000, -0.0005867400000000, 0.0002880000000000 ] - [ -0.0003727800000000, 0.0014744000000000, -0.0025427100000000 ] - [ -0.0016096000000000, 0.0030368100000000, -0.0015825600000000 ] - [ -0.0003116300000000, 0.0006693500000000, -0.0000303200000000 ] - [ 0.0018837200000000, -0.0055650100000000, 0.0050304700000000 ] - [ 0.0003927900000000, -0.0004227600000000, -0.0005662400000000 ] - [ -0.0003727800000000, 0.0014744000000000, 0.0025427100000000 ] - [ -0.0002217300000000, -0.0005867400000000, -0.0002880000000000 ] - [ -0.0018888700000000, -0.0003898500000000, -0.0013966100000000 ] - [ -0.0000387000000000, 0.0003980200000000, 0.0006694100000000 ] - [ 0.0763730800000000, 0.0322292800000000, 0.0000000000000000 ] - [ 0.0003828600000000, 0.0003514900000000, 0.0000000000000000 ] - [ 0.0007697400000000, -0.0013940100000000, 0.0000000000000000 ] - [ 0.0000883500000000, -0.0002890400000000, 0.0000000000000000 ] - [ -0.0011560600000000, 0.0002076100000000, 0.0002928500000000 ] - [ -0.0011560600000000, 0.0002076100000000, -0.0002928500000000 ] - [ -0.0007531500000000, 0.0001281800000000, 0.0005494900000000 ] - [ -0.0007531500000000, 0.0001281800000000, -0.0005494900000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001918800000000, 0.0003235300000000, -0.0010568200000000 ] - [ -0.0001918800000000, 0.0003235300000000, 0.0010568200000000 ] - [ -0.0000357200000000, -0.0010983100000000, -0.0014784700000000 ] - [ -0.0000357200000000, -0.0010983100000000, 0.0014784700000000 ] - [ 0.0298674000000000, 0.0403084200000000, 0.0000000000000000 ] - [ 0.0002840900000000, 0.0010098400000000, 0.0000000000000000 ] - [ -0.0005921300000000, -0.0037178500000000, 0.0000000000000000 ] - [ -0.0003280700000000, -0.0007907500000000, 0.0000000000000000 ] - [ 0.0001735600000000, -0.0001069600000000, 0.0004316700000000 ] - [ 0.0009750400000000, -0.0020417600000000, 0.0000324400000000 ] - [ -0.0000203100000000, 0.0000721500000000, 0.0004523200000000 ] - [ -0.0007605600000000, 0.0071878100000000, 0.0037492300000000 ] - [ 0.0001586100000000, -0.0001770800000000, -0.0004056800000000 ] - [ 0.0002193200000000, -0.0007308600000000, -0.0004924700000000 ] - [ -0.0001301500000000, 0.0002078300000000, -0.0003940200000000 ] - [ 0.0001505500000000, 0.0010601500000000, -0.0005549700000000 ] - [ -0.0007605600000000, 0.0071878100000000, -0.0037492300000000 ] - [ -0.0000203100000000, 0.0000721500000000, -0.0004523200000000 ] - [ 0.0009750400000000, -0.0020417600000000, -0.0000324400000000 ] - [ 0.0001735600000000, -0.0001069600000000, -0.0004316700000000 ] - [ 0.0001505500000000, 0.0010601500000000, 0.0005549700000000 ] - [ -0.0001301500000000, 0.0002078300000000, 0.0003940200000000 ] - [ 0.0002193200000000, -0.0007308600000000, 0.0004924700000000 ] - [ 0.0001586100000000, -0.0001770800000000, 0.0004056800000000 ] - [ -0.0025368800000000, 0.0067735700000000, 0.0000000000000000 ] - [ 0.0002828900000000, 0.0003367500000000, 0.0000000000000000 ] - [ -0.0021114100000000, -0.0015568300000000, 0.0000000000000000 ] - [ -0.0002924600000000, -0.0002879300000000, 0.0000000000000000 ] - [ 0.0004002400000000, -0.0000021100000000, 0.0005189300000000 ] - [ 0.0004002400000000, -0.0000021100000000, -0.0005189300000000 ] - [ -0.0003650100000000, -0.0003812300000000, 0.0012525100000000 ] - [ -0.0003650100000000, -0.0003812300000000, -0.0012525100000000 ] - [ 0.0005133500000000, -0.0030685300000000, 0.0000000000000000 ] - [ 0.0003083400000000, -0.0003878700000000, 0.0000000000000000 ] - [ -0.0001224600000000, 0.0028359500000000, 0.0000000000000000 ] - [ -0.0003202900000000, 0.0003089400000000, 0.0000000000000000 ] - [ 0.0000868600000000, -0.0003545200000000, -0.0000779200000000 ] - [ 0.0000868600000000, -0.0003545200000000, 0.0000779200000000 ] - [ -0.0001212900000000, 0.0011524300000000, -0.0000100700000000 ] - [ -0.0001212900000000, 0.0011524300000000, 0.0000100700000000 ] - [ -0.0001143900000000, -0.0000137000000000, -0.0005105100000000 ] - [ -0.0011285400000000, -0.0002461300000000, -0.0012993800000000 ] - [ -0.0000239800000000, 0.0000277800000000, 0.0004215300000000 ] - [ -0.0003473000000000, 0.0010245000000000, 0.0015314200000000 ] - [ -0.0011285400000000, -0.0002461300000000, 0.0012993800000000 ] - [ -0.0001143900000000, -0.0000137000000000, 0.0005105100000000 ] - [ -0.0003473000000000, 0.0010245000000000, -0.0015314200000000 ] - [ -0.0000239800000000, 0.0000277800000000, -0.0004215300000000 ] - [ -0.0005573700000000, -0.0019733100000000, 0.0004946600000000 ] - [ -0.0005573700000000, -0.0019733100000000, -0.0004946600000000 ] - [ 0.0001748300000000, 0.0022619500000000, 0.0005312500000000 ] - [ 0.0001748300000000, 0.0022619500000000, -0.0005312500000000 ] - [ 0.0029984100000000, -0.0038975100000000, 0.0000000000000000 ] - [ -0.0005147000000000, 0.0000043200000000, 0.0000000000000000 ] - [ 0.0008828500000000, 0.0012210800000000, 0.0000000000000000 ] - [ 0.0006040000000000, -0.0000778400000000, 0.0000000000000000 ] - [ 0.0002192800000000, -0.0005615800000000, -0.0002727500000000 ] - [ 0.0038027500000000, 0.0056485600000000, 0.0076224900000000 ] - [ -0.0002454900000000, 0.0005602400000000, 0.0000876000000000 ] - [ -0.0016826800000000, 0.0023967400000000, 0.0008047500000000 ] - [ 0.0002829100000000, 0.0004570200000000, -0.0000356000000000 ] - [ 0.0019250400000000, 0.0003276500000000, -0.0011760400000000 ] - [ -0.0002941800000000, -0.0005346800000000, 0.0002027600000000 ] - [ -0.0027863200000000, 0.0013894700000000, -0.0030302900000000 ] - [ -0.0016826800000000, 0.0023967400000000, -0.0008047500000000 ] - [ -0.0002454900000000, 0.0005602400000000, -0.0000876000000000 ] - [ 0.0038027500000000, 0.0056485600000000, -0.0076224900000000 ] - [ 0.0002192800000000, -0.0005615800000000, 0.0002727500000000 ] - [ -0.0027863200000000, 0.0013894700000000, 0.0030302900000000 ] - [ -0.0002941800000000, -0.0005346800000000, -0.0002027600000000 ] - [ 0.0019250400000000, 0.0003276500000000, 0.0011760400000000 ] - [ 0.0002829100000000, 0.0004570200000000, 0.0000356000000000 ] - [ -0.0301593900000000, -0.0763806300000000, 0.0000000000000000 ] - [ -0.0000582300000000, -0.0000084600000000, 0.0000000000000000 ] - [ 0.0011033700000000, 0.0044302900000000, 0.0000000000000000 ] - [ -0.0000056500000000, -0.0000904900000000, 0.0000000000000000 ] - [ 0.0005019000000000, -0.0011284900000000, -0.0002848800000000 ] - [ 0.0005019000000000, -0.0011284900000000, 0.0002848800000000 ] - [ -0.0001672100000000, 0.0017706800000000, -0.0003015200000000 ] - [ -0.0001672100000000, 0.0017706800000000, 0.0003015200000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008103800000000, -0.0015544600000000, 0.0010563600000000 ] - [ 0.0008103800000000, -0.0015544600000000, -0.0010563600000000 ] - [ -0.0005760300000000, 0.0023407300000000, 0.0014774400000000 ] - [ -0.0005760300000000, 0.0023407300000000, -0.0014774400000000 ] - [ -0.0309804700000000, -0.0401852800000000, 0.0000000000000000 ] - [ 0.0003312500000000, 0.0002282000000000, 0.0000000000000000 ] - [ -0.0000377500000000, 0.0024752500000000, 0.0000000000000000 ] - [ -0.0002872200000000, -0.0004476900000000, 0.0000000000000000 ] - [ 0.0000843400000000, 0.0002351800000000, 0.0002854500000000 ] - [ -0.0007165300000000, 0.0021694800000000, 0.0006902300000000 ] - [ -0.0002382000000000, -0.0002004100000000, 0.0002669000000000 ] - [ 0.0005763600000000, -0.0074025200000000, -0.0032262500000000 ] - [ 0.0001005100000000, 0.0000504400000000, -0.0003129500000000 ] - [ 0.0000382700000000, 0.0006062900000000, -0.0002272000000000 ] - [ -0.0001271100000000, -0.0000789700000000, -0.0003234700000000 ] - [ -0.0004114200000000, -0.0009261600000000, -0.0001702500000000 ] - [ 0.0005763600000000, -0.0074025200000000, 0.0032262500000000 ] - [ -0.0002382000000000, -0.0002004100000000, -0.0002669000000000 ] - [ -0.0007165300000000, 0.0021694800000000, -0.0006902300000000 ] - [ 0.0000843400000000, 0.0002351800000000, -0.0002854500000000 ] - [ -0.0004114200000000, -0.0009261600000000, 0.0001702500000000 ] - [ -0.0001271100000000, -0.0000789700000000, 0.0003234700000000 ] - [ 0.0000382700000000, 0.0006062900000000, 0.0002272000000000 ] - [ 0.0001005100000000, 0.0000504400000000, 0.0003129500000000 ] - [ 0.0028368500000000, -0.0061124800000000, 0.0000000000000000 ] - [ 0.0003034700000000, 0.0001506500000000, 0.0000000000000000 ] - [ 0.0015088200000000, 0.0010707000000000, 0.0000000000000000 ] - [ -0.0002948200000000, -0.0001961400000000, 0.0000000000000000 ] - [ 0.0001862800000000, -0.0004852100000000, -0.0005178800000000 ] - [ 0.0001862800000000, -0.0004852100000000, 0.0005178800000000 ] - [ -0.0002224000000000, 0.0008651100000000, -0.0012489300000000 ] - [ -0.0002224000000000, 0.0008651100000000, 0.0012489300000000 ] - [ 0.0000886800000000, 0.0026053200000000, 0.0000000000000000 ] - [ 0.0002877500000000, -0.0000698700000000, 0.0000000000000000 ] - [ -0.0004607600000000, -0.0023790800000000, 0.0000000000000000 ] - [ -0.0002748500000000, 0.0001490000000000, 0.0000000000000000 ] - [ 0.0005070400000000, 0.0008105800000000, 0.0000758700000000 ] - [ 0.0005070400000000, 0.0008105800000000, -0.0000758700000000 ] - [ -0.0004779400000000, -0.0016091500000000, 0.0000203500000000 ] - [ -0.0004779400000000, -0.0016091500000000, -0.0000203500000000 ] - [ 0.0001149000000000, 0.0000136600000000, -0.0009080300000000 ] - [ 0.0011287600000000, 0.0002420900000000, -0.0001198900000000 ] - [ 0.0000230600000000, -0.0000256600000000, 0.0009935300000000 ] - [ 0.0003851500000000, -0.0008898300000000, -0.0002249800000000 ] - [ 0.0011287600000000, 0.0002420900000000, 0.0001198900000000 ] - [ 0.0001149000000000, 0.0000136600000000, 0.0009080300000000 ] - [ 0.0003851500000000, -0.0008898300000000, 0.0002249800000000 ] - [ 0.0000230600000000, -0.0000256600000000, -0.0009935300000000 ] - [ -0.0006613300000000, 0.0015500000000000, -0.0005067300000000 ] - [ -0.0006613300000000, 0.0015500000000000, 0.0005067300000000 ] - [ 0.0010359100000000, -0.0018402800000000, -0.0005252800000000 ] - [ 0.0010359100000000, -0.0018402800000000, 0.0005252800000000 ] - [ -0.0041902400000000, 0.0043221200000000, 0.0000000000000000 ] - [ -0.0006985300000000, 0.0004147800000000, 0.0000000000000000 ] - [ 0.0003344600000000, -0.0016360200000000, 0.0000000000000000 ] - [ 0.0006083200000000, -0.0003395500000000, 0.0000000000000000 ] - [ 0.0002881900000000, -0.0004984000000000, 0.0007126300000000 ] - [ -0.0033332400000000, -0.0067440100000000, -0.0072517400000000 ] - [ -0.0002614000000000, 0.0005036400000000, 0.0003523600000000 ] - [ 0.0011826800000000, -0.0013232900000000, -0.0003722100000000 ] - [ 0.0002232700000000, 0.0006038400000000, -0.0004048300000000 ] - [ -0.0014096500000000, 0.0007263700000000, 0.0007342900000000 ] - [ -0.0002136800000000, -0.0005296700000000, -0.0006415600000000 ] - [ 0.0022705200000000, -0.0024654800000000, 0.0025886500000000 ] - [ 0.0011826800000000, -0.0013232900000000, 0.0003722100000000 ] - [ -0.0002614000000000, 0.0005036400000000, -0.0003523600000000 ] - [ -0.0033332400000000, -0.0067440100000000, 0.0072517400000000 ] - [ 0.0002881900000000, -0.0004984000000000, -0.0007126300000000 ] - [ 0.0022705200000000, -0.0024654800000000, -0.0025886500000000 ] - [ -0.0002136800000000, -0.0005296700000000, 0.0006415600000000 ] - [ -0.0014096500000000, 0.0007263700000000, -0.0007342900000000 ] - [ 0.0002232700000000, 0.0006038400000000, 0.0004048300000000 ] - [ 0.0321203600000000, 0.0777412900000000, 0.0000000000000000 ] - [ 0.0001638000000000, 0.0004941600000000, 0.0000000000000000 ] - [ -0.0011985600000000, -0.0048969200000000, 0.0000000000000000 ] - [ -0.0001006300000000, -0.0003940900000000, 0.0000000000000000 ] - [ -0.0003962000000000, 0.0006438100000000, 0.0002821100000000 ] - [ -0.0003962000000000, 0.0006438100000000, -0.0002821100000000 ] - [ 0.0000595400000000, -0.0012848900000000, 0.0003013800000000 ] - [ 0.0000595400000000, -0.0012848900000000, -0.0003013800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0018081500000000, -0.0015086400000000, -0.0008402600000000 ] - [ 0.0024133400000000, 0.0002651200000000, -0.0008431100000000 ] - [ 0.0000955500000000, 0.0003075000000000, -0.0014891000000000 ] - [ -0.0007100300000000, 0.0009280700000000, -0.0014895200000000 ] - [ 0.0004383400000000, 0.0007243200000000, 0.0146154200000000 ] - [ 0.0003087600000000, 0.0006202900000000, -0.0015964300000000 ] - [ -0.0003083800000000, -0.0006240100000000, 0.0029948300000000 ] - [ -0.0003086400000000, -0.0006195200000000, -0.0013582400000000 ] - [ 0.0000364200000000, 0.0000043200000000, -0.0001698700000000 ] - [ 0.0005863100000000, -0.0003803600000000, 0.0008770600000000 ] - [ -0.0000598500000000, 0.0002259700000000, -0.0004634600000000 ] - [ -0.0013717200000000, 0.0032710000000000, 0.0098340500000000 ] - [ 0.0001791800000000, -0.0001890400000000, -0.0008370300000000 ] - [ -0.0000542200000000, 0.0001435500000000, 0.0001551200000000 ] - [ -0.0001090100000000, 0.0001480100000000, -0.0009281300000000 ] - [ -0.0006981000000000, -0.0001013100000000, 0.0001596400000000 ] - [ 0.0013085400000000, -0.0037486000000000, 0.0095852700000000 ] - [ -0.0001988200000000, -0.0003527100000000, -0.0011820400000000 ] - [ -0.0003251500000000, 0.0005032900000000, 0.0001585900000000 ] - [ 0.0002221800000000, 0.0001239100000000, -0.0008898400000000 ] - [ 0.0004426000000000, 0.0002342600000000, 0.0008864400000000 ] - [ -0.0001494400000000, -0.0000179600000000, -0.0002107100000000 ] - [ 0.0003125800000000, -0.0002722200000000, 0.0008757900000000 ] - [ 0.0000799200000000, 0.0000592800000000, -0.0001197500000000 ] - [ 0.0003094700000000, 0.0002363300000000, 0.0052432200000000 ] - [ 0.0002925600000000, 0.0002439400000000, -0.0007184500000000 ] - [ -0.0002963300000000, -0.0002410900000000, 0.0014435800000000 ] - [ -0.0002943700000000, -0.0002426200000000, -0.0007119900000000 ] - [ -0.0001545700000000, 0.0002551500000000, -0.0004138900000000 ] - [ 0.0007421100000000, -0.0007359200000000, -0.0004156300000000 ] - [ -0.0001506100000000, 0.0003588200000000, -0.0007241100000000 ] - [ -0.0004397900000000, 0.0001244200000000, -0.0007292600000000 ] - [ 0.0002982300000000, -0.0002323600000000, 0.0016038200000000 ] - [ 0.0002982300000000, -0.0002290200000000, -0.0007105600000000 ] - [ -0.0002895100000000, 0.0002299200000000, 0.0028605900000000 ] - [ -0.0002983900000000, 0.0002290900000000, -0.0008595700000000 ] - [ 0.0001239200000000, -0.0000482600000000, -0.0002413200000000 ] - [ 0.0004715800000000, 0.0005031800000000, -0.0002422100000000 ] - [ 0.0011610300000000, -0.0000505500000000, -0.0024921000000000 ] - [ -0.0017439900000000, -0.0004028900000000, -0.0024756400000000 ] - [ 0.0000525300000000, 0.0000357800000000, -0.0012378100000000 ] - [ -0.0004044500000000, -0.0000116800000000, -0.0001751300000000 ] - [ 0.0000281000000000, -0.0002192800000000, -0.0001798100000000 ] - [ 0.0003574600000000, 0.0013077800000000, 0.0029231600000000 ] - [ 0.0004002800000000, 0.0000083700000000, 0.0012499700000000 ] - [ -0.0000525900000000, -0.0000353000000000, 0.0001800900000000 ] - [ -0.0003342900000000, -0.0012230100000000, 0.0015794500000000 ] - [ -0.0000282000000000, 0.0002179200000000, -0.0015963400000000 ] - [ 0.0017167300000000, 0.0000617800000000, 0.0038656300000000 ] - [ -0.0029145900000000, -0.0004802400000000, 0.0038465700000000 ] - [ 0.0005475800000000, 0.0007217200000000, 0.0010304200000000 ] - [ 0.0006675200000000, -0.0002983100000000, 0.0010305800000000 ] - [ -0.0005894000000000, 0.0002053800000000, -0.0032570500000000 ] - [ -0.0006076100000000, 0.0002086700000000, 0.0009685900000000 ] - [ 0.0006092400000000, -0.0002067200000000, -0.0015115100000000 ] - [ 0.0006082500000000, -0.0002086600000000, 0.0009316000000000 ] - [ 0.0001273700000000, -0.0004695200000000, 0.0017042400000000 ] - [ 0.0036011200000000, 0.0050337800000000, -0.0005171700000000 ] - [ -0.0001093900000000, 0.0001500000000000, 0.0013975400000000 ] - [ -0.0016680500000000, 0.0023363400000000, -0.0012708300000000 ] - [ 0.0006315400000000, 0.0010426600000000, 0.0010159900000000 ] - [ -0.0010683900000000, 0.0000260400000000, -0.0007710400000000 ] - [ -0.0004021200000000, -0.0004904200000000, 0.0010029000000000 ] - [ 0.0017766700000000, -0.0027497200000000, 0.0000858400000000 ] - [ 0.0011606900000000, -0.0012672500000000, -0.0017174800000000 ] - [ -0.0003971700000000, 0.0009132800000000, 0.0009597100000000 ] - [ -0.0031096300000000, -0.0061135300000000, -0.0009949000000000 ] - [ 0.0003801300000000, -0.0005959700000000, 0.0012665600000000 ] - [ -0.0022940800000000, 0.0016938200000000, 0.0005150000000000 ] - [ -0.0001066700000000, -0.0005717500000000, 0.0014422700000000 ] - [ 0.0015831700000000, 0.0010357900000000, -0.0003379300000000 ] - [ -0.0001210700000000, 0.0000232400000000, 0.0014548700000000 ] - [ -0.0003407700000000, 0.0004141300000000, -0.0443294700000000 ] - [ 0.0000518900000000, 0.0002419300000000, 0.0013419300000000 ] - [ -0.0000521300000000, -0.0002386400000000, -0.0026206900000000 ] - [ -0.0000533500000000, -0.0002425500000000, 0.0010324600000000 ] - [ 0.0003438900000000, -0.0005276200000000, 0.0002242500000000 ] - [ -0.0002351900000000, 0.0000392800000000, 0.0002295800000000 ] - [ -0.0006032800000000, 0.0005467100000000, 0.0005467600000000 ] - [ 0.0004964900000000, -0.0000568900000000, 0.0005499900000000 ]