# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/453de010-bdb9-4fd9-a1ce-d87f65b413e2/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 Er2Ge2O7 / P4_12_12 (92) / materials id 13643](https://mdr.nims.go.jp/datasets/6cc986cc-98cf-4589-a13a-3f9941c772af) ## 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: "P4_12_12" number: 92 Hall_symbol: "P 4abw 2nw"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 6.745626640000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.745626640000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.273417439999999 ] # c points: - symbol: O # 1 coordinates: [ 0.856126810000000, 0.321344690000000, 0.956204550000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.143873190000000, 0.678655310000000, 0.456204550000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.321344690000000, 0.856126810000000, 0.043795450000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.821344690000000, 0.643873190000000, 0.706204550000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.178655310000000, 0.356126810000000, 0.206204550000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.643873190000000, 0.821344690000000, 0.293795450000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.356126810000000, 0.178655310000000, 0.793795450000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.678655310000000, 0.143873190000000, 0.543795450000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.662382290000000, 0.933213330000000, 0.929053510000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.337617710000000, 0.066786670000000, 0.429053510000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.933213330000000, 0.662382290000000, 0.070946490000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.433213330000000, 0.837617710000000, 0.679053510000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.566786670000000, 0.162382290000000, 0.179053510000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.837617710000000, 0.433213330000000, 0.320946490000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.162382290000000, 0.566786670000000, 0.820946490000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.066786670000000, 0.337617710000000, 0.570946490000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.802960310000000, 0.197039690000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.302960310000000, 0.302960310000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.697039690000000, 0.697039690000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.197039690000000, 0.802960310000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.079022100000000, 0.964485880000000, 0.620986690000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.535514120000000, 0.579022100000000, 0.870986690000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.464485880000000, 0.420977900000000, 0.370986690000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.579022100000000, 0.535514120000000, 0.129013310000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.420977900000000, 0.464485880000000, 0.629013310000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.920977900000000, 0.035514120000000, 0.120986690000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.964485880000000, 0.079022100000000, 0.379013310000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.035514120000000, 0.920977900000000, 0.879013310000000 ] mass: 15.999400 - symbol: Ge # 29 coordinates: [ 0.849815800000000, 0.100731360000000, 0.882121560000000 ] mass: 72.640000 - symbol: Ge # 30 coordinates: [ 0.150184200000000, 0.899268640000000, 0.382121560000000 ] mass: 72.640000 - symbol: Ge # 31 coordinates: [ 0.100731360000000, 0.849815800000000, 0.117878440000000 ] mass: 72.640000 - symbol: Ge # 32 coordinates: [ 0.600731360000000, 0.650184200000000, 0.632121560000000 ] mass: 72.640000 - symbol: Ge # 33 coordinates: [ 0.399268640000000, 0.349815800000000, 0.132121560000000 ] mass: 72.640000 - symbol: Ge # 34 coordinates: [ 0.650184200000000, 0.600731360000000, 0.367878440000000 ] mass: 72.640000 - symbol: Ge # 35 coordinates: [ 0.349815800000000, 0.399268640000000, 0.867878440000000 ] mass: 72.640000 - symbol: Ge # 36 coordinates: [ 0.899268640000000, 0.150184200000000, 0.617878440000000 ] mass: 72.640000 - symbol: Er # 37 coordinates: [ 0.644962840000000, 0.127571020000000, 0.364153560000000 ] mass: 167.259000 - symbol: Er # 38 coordinates: [ 0.355037160000000, 0.872428980000000, 0.864153560000000 ] mass: 167.259000 - symbol: Er # 39 coordinates: [ 0.127571020000000, 0.644962840000000, 0.635846440000000 ] mass: 167.259000 - symbol: Er # 40 coordinates: [ 0.627571020000000, 0.855037160000000, 0.114153560000000 ] mass: 167.259000 - symbol: Er # 41 coordinates: [ 0.372428980000000, 0.144962840000000, 0.614153560000000 ] mass: 167.259000 - symbol: Er # 42 coordinates: [ 0.855037160000000, 0.627571020000000, 0.885846440000000 ] mass: 167.259000 - symbol: Er # 43 coordinates: [ 0.144962840000000, 0.372428980000000, 0.385846440000000 ] mass: 167.259000 - symbol: Er # 44 coordinates: [ 0.872428980000000, 0.355037160000000, 0.135846440000000 ] mass: 167.259000 reciprocal_lattice: # without 2pi - [ 0.148244196331625, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.148244196331625, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.081476899558629 ] # c*unit_cell: lattice: - [ 6.745626640000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.745626640000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.273417439999999 ] # c points: - symbol: O # 1 coordinates: [ 0.856126810000000, 0.321344690000000, 0.956204550000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.143873190000000, 0.678655310000000, 0.456204550000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.321344690000000, 0.856126810000000, 0.043795450000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.821344690000000, 0.643873190000000, 0.706204550000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.178655310000000, 0.356126810000000, 0.206204550000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.643873190000000, 0.821344690000000, 0.293795450000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.356126810000000, 0.178655310000000, 0.793795450000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.678655310000000, 0.143873190000000, 0.543795450000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.662382290000000, 0.933213330000000, 0.929053510000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.337617710000000, 0.066786670000000, 0.429053510000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.933213330000000, 0.662382290000000, 0.070946490000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.433213330000000, 0.837617710000000, 0.679053510000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.566786670000000, 0.162382290000000, 0.179053510000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.837617710000000, 0.433213330000000, 0.320946490000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.162382290000000, 0.566786670000000, 0.820946490000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.066786670000000, 0.337617710000000, 0.570946490000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.802960310000000, 0.197039690000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.302960310000000, 0.302960310000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.697039690000000, 0.697039690000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.197039690000000, 0.802960310000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.079022100000000, 0.964485880000000, 0.620986690000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.535514120000000, 0.579022100000000, 0.870986690000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.464485880000000, 0.420977900000000, 0.370986690000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.579022100000000, 0.535514120000000, 0.129013310000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.420977900000000, 0.464485880000000, 0.629013310000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.920977900000000, 0.035514120000000, 0.120986690000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.964485880000000, 0.079022100000000, 0.379013310000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.035514120000000, 0.920977900000000, 0.879013310000000 ] mass: 15.999400 reduced_to: 28 - symbol: Ge # 29 coordinates: [ 0.849815800000000, 0.100731360000000, 0.882121560000000 ] mass: 72.640000 reduced_to: 29 - symbol: Ge # 30 coordinates: [ 0.150184200000000, 0.899268640000000, 0.382121560000000 ] mass: 72.640000 reduced_to: 30 - symbol: Ge # 31 coordinates: [ 0.100731360000000, 0.849815800000000, 0.117878440000000 ] mass: 72.640000 reduced_to: 31 - symbol: Ge # 32 coordinates: [ 0.600731360000000, 0.650184200000000, 0.632121560000000 ] mass: 72.640000 reduced_to: 32 - symbol: Ge # 33 coordinates: [ 0.399268640000000, 0.349815800000000, 0.132121560000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 34 coordinates: [ 0.650184200000000, 0.600731360000000, 0.367878440000000 ] mass: 72.640000 reduced_to: 34 - symbol: Ge # 35 coordinates: [ 0.349815800000000, 0.399268640000000, 0.867878440000000 ] mass: 72.640000 reduced_to: 35 - symbol: Ge # 36 coordinates: [ 0.899268640000000, 0.150184200000000, 0.617878440000000 ] mass: 72.640000 reduced_to: 36 - symbol: Er # 37 coordinates: [ 0.644962840000000, 0.127571020000000, 0.364153560000000 ] mass: 167.259000 reduced_to: 37 - symbol: Er # 38 coordinates: [ 0.355037160000000, 0.872428980000000, 0.864153560000000 ] mass: 167.259000 reduced_to: 38 - symbol: Er # 39 coordinates: [ 0.127571020000000, 0.644962840000000, 0.635846440000000 ] mass: 167.259000 reduced_to: 39 - symbol: Er # 40 coordinates: [ 0.627571020000000, 0.855037160000000, 0.114153560000000 ] mass: 167.259000 reduced_to: 40 - symbol: Er # 41 coordinates: [ 0.372428980000000, 0.144962840000000, 0.614153560000000 ] mass: 167.259000 reduced_to: 41 - symbol: Er # 42 coordinates: [ 0.855037160000000, 0.627571020000000, 0.885846440000000 ] mass: 167.259000 reduced_to: 42 - symbol: Er # 43 coordinates: [ 0.144962840000000, 0.372428980000000, 0.385846440000000 ] mass: 167.259000 reduced_to: 43 - symbol: Er # 44 coordinates: [ 0.872428980000000, 0.355037160000000, 0.135846440000000 ] mass: 167.259000 reduced_to: 44supercell: lattice: - [ 6.745626640000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.745626640000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.273417439999999 ] # c points: - symbol: O # 1 coordinates: [ 0.856126810000000, 0.321344690000000, 0.956204550000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.143873190000000, 0.678655310000000, 0.456204550000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.321344690000000, 0.856126810000000, 0.043795450000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.821344690000000, 0.643873190000000, 0.706204550000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.178655310000000, 0.356126810000000, 0.206204550000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.643873190000000, 0.821344690000000, 0.293795450000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.356126810000000, 0.178655310000000, 0.793795450000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.678655310000000, 0.143873190000000, 0.543795450000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.662382290000000, 0.933213330000000, 0.929053510000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.337617710000000, 0.066786670000000, 0.429053510000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.933213330000000, 0.662382290000000, 0.070946490000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.433213330000000, 0.837617710000000, 0.679053510000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.566786670000000, 0.162382290000000, 0.179053510000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.837617710000000, 0.433213330000000, 0.320946490000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.162382290000000, 0.566786670000000, 0.820946490000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.066786670000000, 0.337617710000000, 0.570946490000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.802960310000000, 0.197039690000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.302960310000000, 0.302960310000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.697039690000000, 0.697039690000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.197039690000000, 0.802960310000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.079022100000000, 0.964485880000000, 0.620986690000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.535514120000000, 0.579022100000000, 0.870986690000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.464485880000000, 0.420977900000000, 0.370986690000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.579022100000000, 0.535514120000000, 0.129013310000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.420977900000000, 0.464485880000000, 0.629013310000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.920977900000000, 0.035514120000000, 0.120986690000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.964485880000000, 0.079022100000000, 0.379013310000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.035514120000000, 0.920977900000000, 0.879013310000000 ] mass: 15.999400 reduced_to: 28 - symbol: Ge # 29 coordinates: [ 0.849815800000000, 0.100731360000000, 0.882121560000000 ] mass: 72.640000 reduced_to: 29 - symbol: Ge # 30 coordinates: [ 0.150184200000000, 0.899268640000000, 0.382121560000000 ] mass: 72.640000 reduced_to: 30 - symbol: Ge # 31 coordinates: [ 0.100731360000000, 0.849815800000000, 0.117878440000000 ] mass: 72.640000 reduced_to: 31 - symbol: Ge # 32 coordinates: [ 0.600731360000000, 0.650184200000000, 0.632121560000000 ] mass: 72.640000 reduced_to: 32 - symbol: Ge # 33 coordinates: [ 0.399268640000000, 0.349815800000000, 0.132121560000000 ] mass: 72.640000 reduced_to: 33 - symbol: Ge # 34 coordinates: [ 0.650184200000000, 0.600731360000000, 0.367878440000000 ] mass: 72.640000 reduced_to: 34 - symbol: Ge # 35 coordinates: [ 0.349815800000000, 0.399268640000000, 0.867878440000000 ] mass: 72.640000 reduced_to: 35 - symbol: Ge # 36 coordinates: [ 0.899268640000000, 0.150184200000000, 0.617878440000000 ] mass: 72.640000 reduced_to: 36 - symbol: Er # 37 coordinates: [ 0.644962840000000, 0.127571020000000, 0.364153560000000 ] mass: 167.259000 reduced_to: 37 - symbol: Er # 38 coordinates: [ 0.355037160000000, 0.872428980000000, 0.864153560000000 ] mass: 167.259000 reduced_to: 38 - symbol: Er # 39 coordinates: [ 0.127571020000000, 0.644962840000000, 0.635846440000000 ] mass: 167.259000 reduced_to: 39 - symbol: Er # 40 coordinates: [ 0.627571020000000, 0.855037160000000, 0.114153560000000 ] mass: 167.259000 reduced_to: 40 - symbol: Er # 41 coordinates: [ 0.372428980000000, 0.144962840000000, 0.614153560000000 ] mass: 167.259000 reduced_to: 41 - symbol: Er # 42 coordinates: [ 0.855037160000000, 0.627571020000000, 0.885846440000000 ] mass: 167.259000 reduced_to: 42 - symbol: Er # 43 coordinates: [ 0.144962840000000, 0.372428980000000, 0.385846440000000 ] mass: 167.259000 reduced_to: 43 - symbol: Er # 44 coordinates: [ 0.872428980000000, 0.355037160000000, 0.135846440000000 ] mass: 167.259000 reduced_to: 44displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0324787000000000, -0.0037821200000000, -0.0111850100000000 ] - [ -0.0002020900000000, -0.0000331400000000, -0.0001533900000000 ] - [ 0.0015613700000000, 0.0000946700000000, -0.0000773200000000 ] - [ -0.0006426500000000, -0.0004601500000000, -0.0001197300000000 ] - [ -0.0002397100000000, 0.0004632900000000, 0.0009695700000000 ] - [ -0.0005673800000000, 0.0000881200000000, -0.0004984800000000 ] - [ 0.0021960100000000, -0.0004947500000000, -0.0001255300000000 ] - [ 0.0000834900000000, -0.0002770000000000, 0.0000438600000000 ] - [ 0.0003677300000000, 0.0106446800000000, 0.0015376800000000 ] - [ 0.0001640400000000, -0.0002008800000000, -0.0000562100000000 ] - [ -0.0015085300000000, 0.0027229200000000, 0.0019202000000000 ] - [ 0.0006334000000000, 0.0000328000000000, 0.0001347800000000 ] - [ 0.0005308000000000, 0.0002173800000000, -0.0015297800000000 ] - [ -0.0000053800000000, 0.0006167400000000, 0.0011539000000000 ] - [ 0.0046706800000000, 0.0029407800000000, -0.0031242700000000 ] - [ -0.0004941400000000, -0.0002038300000000, 0.0002150300000000 ] - [ -0.0044099300000000, 0.0004983600000000, 0.0039502200000000 ] - [ 0.0106614900000000, 0.0002963300000000, 0.0018041400000000 ] - [ -0.0003538300000000, -0.0002281800000000, -0.0000786000000000 ] - [ 0.0000083200000000, 0.0003447900000000, 0.0001963600000000 ] - [ -0.0005272400000000, 0.0006140400000000, -0.0000240600000000 ] - [ 0.0069391700000000, -0.0050857200000000, 0.0032580600000000 ] - [ 0.0001292600000000, 0.0000537100000000, -0.0002732600000000 ] - [ 0.0018252700000000, -0.0012803200000000, -0.0024978400000000 ] - [ 0.0003655000000000, 0.0000141300000000, 0.0000575900000000 ] - [ -0.0023055000000000, -0.0016975700000000, 0.0023445200000000 ] - [ 0.0000063300000000, -0.0000930900000000, 0.0001579800000000 ] - [ -0.0010140200000000, -0.0071393700000000, -0.0021560700000000 ] - [ 0.0201625800000000, 0.0040070000000000, 0.0007930800000000 ] - [ -0.0002336700000000, -0.0000921600000000, -0.0003704900000000 ] - [ -0.0019147000000000, 0.0004499800000000, -0.0010233700000000 ] - [ 0.0000864600000000, -0.0000330700000000, -0.0008558400000000 ] - [ -0.0048520800000000, -0.0006363400000000, -0.0016740700000000 ] - [ 0.0004012100000000, -0.0002695900000000, 0.0005650700000000 ] - [ -0.0127095600000000, -0.0010347100000000, 0.0012629700000000 ] - [ 0.0003668200000000, -0.0002009300000000, -0.0004132300000000 ] - [ 0.0001522500000000, 0.0000259900000000, 0.0003225100000000 ] - [ -0.0069198600000000, 0.0006548400000000, -0.0009097100000000 ] - [ 0.0000180700000000, -0.0004789600000000, 0.0017848200000000 ] - [ 0.0010669500000000, -0.0003077500000000, 0.0027460300000000 ] - [ -0.0001414000000000, -0.0002079700000000, 0.0001249200000000 ] - [ 0.0128358000000000, -0.0005743500000000, -0.0001704500000000 ] - [ -0.0005371200000000, 0.0000709400000000, -0.0001680300000000 ] - [ 0.0068244900000000, -0.0000395300000000, 0.0021414800000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0329619900000000, 0.0032537800000000, 0.0108115300000000 ] - [ -0.0003688500000000, -0.0001918100000000, 0.0001798300000000 ] - [ -0.0013461800000000, 0.0004671900000000, 0.0000594700000000 ] - [ 0.0008893400000000, -0.0001061400000000, 0.0001724000000000 ] - [ -0.0000103900000000, 0.0001112700000000, -0.0009045300000000 ] - [ 0.0000019500000000, 0.0001241400000000, 0.0004579000000000 ] - [ -0.0016252200000000, 0.0002727400000000, 0.0000591100000000 ] - [ -0.0002972700000000, -0.0002925000000000, -0.0000831200000000 ] - [ -0.0004311500000000, -0.0102365200000000, -0.0016448200000000 ] - [ -0.0000819200000000, -0.0002974100000000, -0.0000651400000000 ] - [ 0.0019981700000000, -0.0028253900000000, -0.0018032800000000 ] - [ -0.0001411200000000, 0.0000587600000000, -0.0002575000000000 ] - [ -0.0010178200000000, -0.0003145900000000, 0.0014607900000000 ] - [ 0.0001000400000000, -0.0001197800000000, -0.0010772800000000 ] - [ -0.0047398400000000, -0.0033865700000000, 0.0032019000000000 ] - [ -0.0000102100000000, 0.0002829800000000, -0.0001132100000000 ] - [ 0.0049582100000000, -0.0010225900000000, -0.0038906700000000 ] - [ -0.0100174600000000, 0.0002741500000000, -0.0017495700000000 ] - [ -0.0001938600000000, -0.0003306800000000, 0.0000384800000000 ] - [ -0.0005778100000000, 0.0002106700000000, -0.0002025000000000 ] - [ 0.0003424500000000, -0.0004627500000000, -0.0000546200000000 ] - [ -0.0071292400000000, 0.0049989400000000, -0.0033587500000000 ] - [ 0.0000288600000000, 0.0001371400000000, 0.0001929800000000 ] - [ -0.0019826900000000, 0.0011661200000000, 0.0026048600000000 ] - [ -0.0002015300000000, 0.0001223900000000, -0.0000097600000000 ] - [ 0.0024612600000000, 0.0015688400000000, -0.0024183800000000 ] - [ 0.0001422200000000, -0.0000874800000000, -0.0001026800000000 ] - [ 0.0008388000000000, 0.0072408400000000, 0.0022165200000000 ] - [ -0.0197899600000000, -0.0031992000000000, -0.0005415300000000 ] - [ -0.0000378600000000, 0.0002329900000000, 0.0000161400000000 ] - [ 0.0018000700000000, -0.0001738700000000, 0.0013646300000000 ] - [ -0.0002468800000000, -0.0002336500000000, 0.0005171800000000 ] - [ 0.0050081600000000, 0.0008889100000000, 0.0012464000000000 ] - [ -0.0006911800000000, 0.0001444300000000, -0.0002089900000000 ] - [ 0.0129887300000000, 0.0011165700000000, -0.0008531500000000 ] - [ -0.0002047800000000, -0.0000705500000000, 0.0007361100000000 ] - [ -0.0006542100000000, -0.0000283400000000, -0.0003969300000000 ] - [ 0.0074096300000000, -0.0006497200000000, 0.0008486000000000 ] - [ -0.0000062300000000, -0.0000214400000000, -0.0017103200000000 ] - [ -0.0010837500000000, 0.0008094700000000, -0.0028183700000000 ] - [ 0.0001300500000000, -0.0002857200000000, -0.0001695000000000 ] - [ -0.0123202800000000, 0.0004139400000000, 0.0002964200000000 ] - [ 0.0000493000000000, -0.0000699400000000, 0.0002329000000000 ] - [ -0.0069015500000000, 0.0005104000000000, -0.0022795800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0030389900000000, -0.2387061200000000, -0.0802796200000000 ] - [ -0.0002190400000000, 0.0001782500000000, -0.0000135200000000 ] - [ 0.0010899300000000, 0.0017444600000000, -0.0013672300000000 ] - [ -0.0008194400000000, -0.0004203000000000, -0.0056348800000000 ] - [ 0.0008084200000000, -0.0004726500000000, 0.0007922000000000 ] - [ -0.0002719500000000, 0.0010973100000000, -0.0005849700000000 ] - [ 0.0006774300000000, -0.0017808200000000, -0.0002572900000000 ] - [ 0.0009353900000000, -0.0001001300000000, 0.0026244000000000 ] - [ 0.0074110900000000, 0.0219603800000000, 0.0015107600000000 ] - [ 0.0001226100000000, -0.0001886400000000, 0.0004387600000000 ] - [ 0.0041889800000000, 0.0145607500000000, 0.0102020000000000 ] - [ -0.0000907100000000, 0.0013280300000000, 0.0000905800000000 ] - [ 0.0003180100000000, -0.0014590900000000, -0.0006809200000000 ] - [ -0.0004489700000000, 0.0012301500000000, 0.0021275000000000 ] - [ 0.0037160300000000, 0.0030623700000000, -0.0038754300000000 ] - [ -0.0011117800000000, -0.0009266000000000, 0.0011077300000000 ] - [ -0.0009869400000000, -0.0012570600000000, 0.0139727800000000 ] - [ 0.0008923100000000, -0.0021100500000000, -0.0002893300000000 ] - [ -0.0005401400000000, 0.0000463300000000, -0.0004535400000000 ] - [ -0.0005569900000000, 0.0015365700000000, 0.0001154600000000 ] - [ -0.0009727400000000, 0.0012463300000000, 0.0009958700000000 ] - [ -0.0074465500000000, 0.0050722600000000, -0.0028144000000000 ] - [ -0.0001021200000000, -0.0001622300000000, 0.0003757400000000 ] - [ -0.0031783300000000, 0.0013515800000000, 0.0029410500000000 ] - [ -0.0000785100000000, -0.0006866700000000, -0.0004294600000000 ] - [ -0.0027112800000000, 0.0091598400000000, -0.0093760900000000 ] - [ -0.0000500100000000, -0.0002489700000000, 0.0001029300000000 ] - [ -0.0016035500000000, 0.0204572800000000, 0.0048538100000000 ] - [ 0.0040333500000000, 0.1395196500000000, 0.0746797900000000 ] - [ 0.0000771800000000, -0.0004111000000000, -0.0004712400000000 ] - [ -0.0009856900000000, -0.0083881300000000, -0.0003265500000000 ] - [ 0.0018650100000000, -0.0006585500000000, 0.0011731700000000 ] - [ 0.0004659500000000, 0.0031418000000000, -0.0003804600000000 ] - [ 0.0004837400000000, -0.0008182800000000, -0.0004567900000000 ] - [ -0.0001625700000000, 0.0060710100000000, 0.0017336800000000 ] - [ 0.0032006800000000, -0.0009730800000000, -0.0058734400000000 ] - [ -0.0004252700000000, 0.0005281900000000, -0.0010155100000000 ] - [ -0.0002693700000000, -0.0038043900000000, -0.0014110800000000 ] - [ -0.0006477600000000, -0.0013206800000000, 0.0014967500000000 ] - [ -0.0004510900000000, -0.0056534900000000, 0.0044441900000000 ] - [ -0.0005670500000000, 0.0001075000000000, -0.0006077300000000 ] - [ -0.0023269600000000, 0.0261919900000000, -0.0104533300000000 ] - [ -0.0003195600000000, 0.0003725300000000, -0.0013465900000000 ] - [ 0.0000972200000000, 0.0105825100000000, 0.0026202500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0039789600000000, 0.2444327600000000, 0.0872587100000000 ] - [ -0.0003457300000000, -0.0003881300000000, 0.0000335400000000 ] - [ -0.0008369200000000, -0.0011796000000000, 0.0013550900000000 ] - [ 0.0010279400000000, -0.0001660300000000, 0.0055548000000000 ] - [ -0.0010593200000000, 0.0010357000000000, -0.0007746300000000 ] - [ -0.0002877800000000, -0.0008883700000000, 0.0005466200000000 ] - [ -0.0001017800000000, 0.0015515800000000, 0.0002052400000000 ] - [ -0.0012026600000000, -0.0004701000000000, -0.0026979000000000 ] - [ -0.0077500200000000, -0.0217142800000000, -0.0016054000000000 ] - [ -0.0000402500000000, -0.0003160700000000, -0.0005599700000000 ] - [ -0.0036516200000000, -0.0145099000000000, -0.0098639900000000 ] - [ 0.0005729900000000, -0.0012362900000000, -0.0002361000000000 ] - [ -0.0008026000000000, 0.0014057400000000, 0.0005483100000000 ] - [ 0.0005514800000000, -0.0007522900000000, -0.0021184500000000 ] - [ -0.0037629100000000, -0.0035922200000000, 0.0039654800000000 ] - [ 0.0006534200000000, 0.0010385800000000, -0.0010264700000000 ] - [ 0.0014701300000000, 0.0008065500000000, -0.0139590600000000 ] - [ -0.0004061600000000, 0.0026400100000000, 0.0003692200000000 ] - [ -0.0000080400000000, -0.0006011500000000, 0.0003954400000000 ] - [ 0.0000275800000000, -0.0010023500000000, -0.0000549000000000 ] - [ 0.0008447700000000, -0.0011289100000000, -0.0010648900000000 ] - [ 0.0072137600000000, -0.0052783000000000, 0.0027508900000000 ] - [ 0.0002522500000000, 0.0003269900000000, -0.0004446300000000 ] - [ 0.0030092100000000, -0.0015568900000000, -0.0028628100000000 ] - [ 0.0002310200000000, 0.0008263200000000, 0.0004454800000000 ] - [ 0.0028756000000000, -0.0092823200000000, 0.0094585200000000 ] - [ 0.0001955800000000, 0.0000740000000000, -0.0000663900000000 ] - [ 0.0016356700000000, -0.0203948800000000, -0.0048825400000000 ] - [ -0.0039749800000000, -0.1472424400000000, -0.0807100700000000 ] - [ -0.0003432000000000, 0.0005334700000000, 0.0001138800000000 ] - [ 0.0008355500000000, 0.0086165000000000, 0.0006592800000000 ] - [ -0.0019639400000000, 0.0003880100000000, -0.0014772500000000 ] - [ -0.0003546800000000, -0.0028558200000000, 0.0000407700000000 ] - [ -0.0007797200000000, 0.0007235300000000, 0.0008430600000000 ] - [ 0.0004346500000000, -0.0058563400000000, -0.0014568300000000 ] - [ -0.0030332800000000, 0.0006998800000000, 0.0062102700000000 ] - [ -0.0000525400000000, -0.0005289900000000, 0.0009947300000000 ] - [ 0.0007459100000000, 0.0037613800000000, 0.0013581100000000 ] - [ 0.0006480200000000, 0.0008522900000000, -0.0014012800000000 ] - [ 0.0004837000000000, 0.0061218500000000, -0.0045866700000000 ] - [ 0.0005472000000000, -0.0005978500000000, 0.0005561900000000 ] - [ 0.0027857500000000, -0.0237929000000000, 0.0094521300000000 ] - [ -0.0001397900000000, -0.0003988000000000, 0.0014367400000000 ] - [ -0.0001232200000000, -0.0101039100000000, -0.0027022800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0107435400000000, -0.0824514300000000, -0.1782542400000000 ] - [ -0.0001280600000000, -0.0000754400000000, 0.0041188200000000 ] - [ 0.0014777700000000, 0.0003636400000000, -0.0053905400000000 ] - [ 0.0008886100000000, -0.0012234200000000, 0.0023564300000000 ] - [ 0.0055400100000000, 0.0001445800000000, 0.0023353200000000 ] - [ -0.0007696900000000, 0.0006895100000000, 0.0021023200000000 ] - [ 0.0003846800000000, -0.0003326300000000, -0.0011969100000000 ] - [ 0.0025410500000000, -0.0002256500000000, 0.0090783900000000 ] - [ 0.0031914700000000, 0.0027831600000000, -0.0087908400000000 ] - [ 0.0002994700000000, -0.0000642500000000, 0.0034452100000000 ] - [ 0.0024324500000000, 0.0094538600000000, -0.0030746700000000 ] - [ 0.0002901400000000, 0.0004262600000000, 0.0010557600000000 ] - [ -0.0032580700000000, -0.0025852600000000, 0.0023442400000000 ] - [ -0.0025670400000000, 0.0039071500000000, 0.0133202700000000 ] - [ -0.0045407700000000, -0.0023364800000000, 0.0006613500000000 ] - [ -0.0019983500000000, -0.0011906400000000, 0.0050525100000000 ] - [ -0.0004281000000000, 0.0113325400000000, 0.0333308300000000 ] - [ 0.0021316000000000, 0.0006476800000000, -0.0083869800000000 ] - [ -0.0008318000000000, 0.0007263600000000, 0.0057409700000000 ] - [ 0.0011099100000000, 0.0001909600000000, 0.0031943400000000 ] - [ -0.0028626800000000, 0.0018835400000000, 0.0032892900000000 ] - [ 0.0041983700000000, -0.0017740600000000, -0.0024516900000000 ] - [ -0.0007933500000000, 0.0000122500000000, 0.0026477100000000 ] - [ -0.0058617600000000, 0.0040998100000000, 0.0010443000000000 ] - [ 0.0000769600000000, -0.0004286700000000, 0.0017916700000000 ] - [ 0.0033966400000000, -0.0127310500000000, 0.0051059500000000 ] - [ 0.0004054500000000, -0.0005238600000000, 0.0029056000000000 ] - [ -0.0041885200000000, 0.0040124000000000, -0.0031897400000000 ] - [ 0.0000267200000000, 0.0757384300000000, 0.0717730200000000 ] - [ -0.0004996300000000, -0.0003287900000000, -0.0060639800000000 ] - [ -0.0077814800000000, 0.0026995800000000, 0.0033458700000000 ] - [ -0.0005887100000000, 0.0005045700000000, -0.0059522700000000 ] - [ 0.0030231100000000, 0.0014917200000000, 0.0041526500000000 ] - [ 0.0027251400000000, -0.0035648900000000, -0.0062823000000000 ] - [ 0.0005516100000000, -0.0021714300000000, 0.0097480700000000 ] - [ 0.0066671500000000, -0.0006462400000000, -0.0161247200000000 ] - [ 0.0003592600000000, 0.0015529300000000, -0.0084252300000000 ] - [ 0.0015511300000000, 0.0002465400000000, 0.0050443800000000 ] - [ 0.0008715800000000, -0.0004031700000000, -0.0051936000000000 ] - [ 0.0035864700000000, 0.0002928300000000, 0.0057926200000000 ] - [ -0.0011737400000000, -0.0002368700000000, -0.0046692100000000 ] - [ 0.0011257800000000, -0.0116850200000000, 0.0205464800000000 ] - [ -0.0016108000000000, 0.0003673300000000, -0.0080470000000000 ] - [ 0.0017735700000000, 0.0014116000000000, 0.0461695300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0112424600000000, 0.0850513000000000, 0.1758399500000000 ] - [ -0.0004370600000000, -0.0001223200000000, -0.0040649300000000 ] - [ -0.0012420300000000, 0.0002103300000000, 0.0053031500000000 ] - [ -0.0006760000000000, 0.0006662700000000, -0.0022850500000000 ] - [ -0.0056434700000000, 0.0004193600000000, -0.0023031500000000 ] - [ 0.0001996300000000, -0.0004635600000000, -0.0021476800000000 ] - [ 0.0001855900000000, 0.0001211300000000, 0.0011828800000000 ] - [ -0.0027632700000000, -0.0003475200000000, -0.0091317200000000 ] - [ -0.0032153800000000, -0.0021744000000000, 0.0086756400000000 ] - [ -0.0002228500000000, -0.0004458100000000, -0.0035452600000000 ] - [ -0.0018915700000000, -0.0093975300000000, 0.0031489600000000 ] - [ 0.0002114700000000, -0.0003540000000000, -0.0011501700000000 ] - [ 0.0027120300000000, 0.0024725200000000, -0.0024688400000000 ] - [ 0.0026207100000000, -0.0033527200000000, -0.0130233000000000 ] - [ 0.0044486600000000, 0.0018562100000000, -0.0005091400000000 ] - [ 0.0014992800000000, 0.0012731800000000, -0.0049284900000000 ] - [ 0.0008916300000000, -0.0120948500000000, -0.0337892300000000 ] - [ -0.0016089300000000, -0.0000945400000000, 0.0083204700000000 ] - [ 0.0002626400000000, -0.0012645900000000, -0.0056737200000000 ] - [ -0.0016600200000000, 0.0003680100000000, -0.0031585700000000 ] - [ 0.0026953500000000, -0.0017505600000000, -0.0033649300000000 ] - [ -0.0042971100000000, 0.0015780700000000, 0.0024155500000000 ] - [ 0.0009286900000000, 0.0001780300000000, -0.0027116400000000 ] - [ 0.0055872000000000, -0.0042085500000000, -0.0009815100000000 ] - [ 0.0001164600000000, 0.0005947600000000, -0.0017072900000000 ] - [ -0.0031702200000000, 0.0124224600000000, -0.0051622300000000 ] - [ -0.0002400800000000, 0.0003161700000000, -0.0028262100000000 ] - [ 0.0040004900000000, -0.0037951000000000, 0.0032898800000000 ] - [ 0.0001826700000000, -0.0789740200000000, -0.0728872000000000 ] - [ 0.0002109000000000, 0.0004652000000000, 0.0056919000000000 ] - [ 0.0075963800000000, -0.0024256000000000, -0.0029283300000000 ] - [ 0.0004596800000000, -0.0007806800000000, 0.0055355600000000 ] - [ -0.0028734200000000, -0.0011938000000000, -0.0043674800000000 ] - [ -0.0029686400000000, 0.0033717900000000, 0.0065869400000000 ] - [ -0.0002898700000000, 0.0022825600000000, -0.0094098900000000 ] - [ -0.0065564900000000, 0.0003682100000000, 0.0164371000000000 ] - [ -0.0008366800000000, -0.0015368300000000, 0.0083304500000000 ] - [ -0.0010783100000000, -0.0002321100000000, -0.0050973400000000 ] - [ -0.0008790800000000, -0.0000858000000000, 0.0051722900000000 ] - [ -0.0035736700000000, 0.0001767300000000, -0.0057298100000000 ] - [ 0.0011831600000000, -0.0002550600000000, 0.0045583200000000 ] - [ -0.0006022300000000, 0.0119911600000000, -0.0203238500000000 ] - [ 0.0011002700000000, -0.0003613100000000, 0.0080421600000000 ] - [ -0.0016089800000000, -0.0004721900000000, -0.0428542800000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006465800000000, 0.0076942000000000, 0.0032373500000000 ] - [ -0.0001554800000000, -0.0000235400000000, -0.0002451600000000 ] - [ 0.0145647000000000, 0.0030298500000000, -0.0093337300000000 ] - [ -0.0013242600000000, -0.0005389600000000, -0.0025001700000000 ] - [ 0.0011779200000000, 0.0002922800000000, -0.0003682500000000 ] - [ -0.0003386400000000, 0.0006038100000000, -0.0026458700000000 ] - [ 0.0049829900000000, -0.0038114800000000, 0.0044447500000000 ] - [ -0.0010869100000000, -0.0005261200000000, -0.0012660000000000 ] - [ -0.1959614600000000, -0.0871445600000000, 0.0307533100000000 ] - [ 0.0002727900000000, -0.0002795500000000, 0.0000276500000000 ] - [ 0.0040841700000000, -0.0012356200000000, 0.0049024500000000 ] - [ -0.0003466600000000, 0.0008856400000000, 0.0033315700000000 ] - [ -0.0011289500000000, -0.0008992900000000, -0.0013394000000000 ] - [ -0.0003593000000000, 0.0005664800000000, 0.0006337700000000 ] - [ 0.0060101800000000, 0.0011802700000000, -0.0001915900000000 ] - [ 0.0006842500000000, 0.0003331800000000, -0.0006246100000000 ] - [ -0.0001537300000000, 0.0019795900000000, -0.0070892900000000 ] - [ 0.0023138400000000, -0.0011441100000000, -0.0014693900000000 ] - [ -0.0007128100000000, -0.0000617900000000, -0.0004545700000000 ] - [ 0.0009593800000000, 0.0000348000000000, -0.0008846400000000 ] - [ 0.0011276100000000, -0.0000928900000000, -0.0011283000000000 ] - [ -0.0010503100000000, 0.0098123000000000, 0.0026588900000000 ] - [ 0.0001066800000000, 0.0001748000000000, -0.0001748300000000 ] - [ -0.0011879100000000, 0.0010088600000000, -0.0003549900000000 ] - [ -0.0001440800000000, 0.0001985400000000, 0.0006123900000000 ] - [ 0.0034496700000000, 0.0003534600000000, 0.0057728300000000 ] - [ 0.0001765200000000, -0.0002628800000000, 0.0001493100000000 ] - [ 0.0549376700000000, -0.0079219600000000, -0.0131299600000000 ] - [ 0.0880193400000000, 0.0603552700000000, -0.0294798800000000 ] - [ -0.0005391500000000, 0.0003940700000000, 0.0000604400000000 ] - [ -0.0096376800000000, 0.0012159400000000, -0.0001197500000000 ] - [ 0.0030854500000000, -0.0014335300000000, -0.0003436800000000 ] - [ -0.0004073200000000, 0.0009181400000000, 0.0022043000000000 ] - [ 0.0002718600000000, -0.0009373100000000, 0.0005616900000000 ] - [ -0.0037294600000000, 0.0023635700000000, 0.0008423700000000 ] - [ -0.0012981900000000, 0.0007139700000000, 0.0047184900000000 ] - [ 0.0003513900000000, 0.0003656500000000, 0.0006853500000000 ] - [ 0.0139972400000000, 0.0071337300000000, 0.0111587400000000 ] - [ -0.0021410500000000, 0.0002528700000000, 0.0004301100000000 ] - [ 0.0103137500000000, 0.0000525800000000, 0.0013689600000000 ] - [ -0.0000676000000000, 0.0000266000000000, -0.0025164900000000 ] - [ 0.0098145900000000, 0.0051517400000000, 0.0014880300000000 ] - [ -0.0006422600000000, -0.0001308500000000, 0.0002414500000000 ] - [ 0.0010646400000000, -0.0006477500000000, -0.0046236200000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001382500000000, -0.0074752400000000, -0.0031724700000000 ] - [ -0.0004166400000000, -0.0001837400000000, 0.0002643000000000 ] - [ -0.0144986300000000, -0.0025124000000000, 0.0095218400000000 ] - [ 0.0015368000000000, -0.0000189500000000, 0.0025457800000000 ] - [ -0.0013807800000000, 0.0002778700000000, 0.0004043400000000 ] - [ -0.0002427300000000, -0.0003675600000000, 0.0025239400000000 ] - [ -0.0044233400000000, 0.0036700800000000, -0.0045501100000000 ] - [ 0.0008746000000000, -0.0000415800000000, 0.0012130900000000 ] - [ 0.1942531000000000, 0.0848662300000000, -0.0277574000000000 ] - [ -0.0002010400000000, -0.0002280200000000, -0.0001665400000000 ] - [ -0.0036502400000000, 0.0011262000000000, -0.0047811600000000 ] - [ 0.0008871000000000, -0.0008280700000000, -0.0035216500000000 ] - [ 0.0006344300000000, 0.0008144100000000, 0.0012052700000000 ] - [ 0.0004470100000000, -0.0000691500000000, -0.0005376900000000 ] - [ -0.0061618400000000, -0.0017665100000000, 0.0003136400000000 ] - [ -0.0011928300000000, -0.0002537700000000, 0.0007270900000000 ] - [ 0.0006473700000000, -0.0025230000000000, 0.0071307500000000 ] - [ -0.0017663400000000, 0.0017016000000000, 0.0015585500000000 ] - [ 0.0001726400000000, -0.0004780800000000, 0.0004385400000000 ] - [ -0.0015096200000000, 0.0005138500000000, 0.0009293000000000 ] - [ -0.0013196100000000, 0.0002489200000000, 0.0010376000000000 ] - [ 0.0010023200000000, -0.0100403900000000, -0.0027188100000000 ] - [ 0.0000338000000000, 0.0000002200000000, 0.0000858400000000 ] - [ 0.0010081500000000, -0.0011415400000000, 0.0004373300000000 ] - [ 0.0003372700000000, -0.0000462900000000, -0.0005731300000000 ] - [ -0.0033192900000000, -0.0004724600000000, -0.0057984200000000 ] - [ -0.0000249400000000, 0.0000689100000000, -0.0000982000000000 ] - [ -0.0543750400000000, 0.0080163700000000, 0.0129673800000000 ] - [ -0.0847095700000000, -0.0568247600000000, 0.0272269300000000 ] - [ 0.0002588000000000, -0.0002606300000000, -0.0004064500000000 ] - [ 0.0095825700000000, -0.0009386300000000, 0.0004341100000000 ] - [ -0.0032566200000000, 0.0011746300000000, -0.0000077100000000 ] - [ 0.0005029300000000, -0.0006422600000000, -0.0025950600000000 ] - [ -0.0005550500000000, 0.0007908900000000, -0.0001739900000000 ] - [ 0.0039812600000000, -0.0022443600000000, -0.0005342600000000 ] - [ 0.0014519800000000, -0.0010134900000000, -0.0044065300000000 ] - [ -0.0008411400000000, -0.0003633900000000, -0.0007273500000000 ] - [ -0.0155511800000000, -0.0075985200000000, -0.0121496200000000 ] - [ 0.0021663000000000, -0.0007334200000000, -0.0003332000000000 ] - [ -0.0103444700000000, 0.0004276100000000, -0.0014157100000000 ] - [ 0.0000578500000000, -0.0005298100000000, 0.0025063200000000 ] - [ -0.0090618000000000, -0.0053749900000000, -0.0015743200000000 ] - [ 0.0001562100000000, 0.0001303400000000, -0.0001779400000000 ] - [ -0.0010514900000000, 0.0011428700000000, 0.0047057700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0108119900000000, 0.0221278100000000, 0.0025549200000000 ] - [ -0.0002246000000000, -0.0000599000000000, -0.0001632400000000 ] - [ 0.0040411400000000, -0.0014618600000000, -0.0021934000000000 ] - [ -0.0004149500000000, 0.0005075800000000, 0.0030059100000000 ] - [ 0.0002235900000000, 0.0006622800000000, 0.0000586100000000 ] - [ -0.0006398900000000, 0.0010840900000000, -0.0036655100000000 ] - [ -0.0029007500000000, 0.0031913100000000, -0.0021410900000000 ] - [ -0.0009980000000000, -0.0005253000000000, -0.0017884700000000 ] - [ -0.0877673200000000, -0.1179794400000000, 0.0347124900000000 ] - [ 0.0000404100000000, -0.0005275200000000, -0.0005451700000000 ] - [ -0.0037377200000000, 0.0038268000000000, -0.0037484300000000 ] - [ 0.0004929500000000, -0.0008060400000000, 0.0014350900000000 ] - [ -0.0005280500000000, -0.0006652300000000, 0.0016333700000000 ] - [ -0.0002644600000000, 0.0009289300000000, 0.0005196300000000 ] - [ -0.0015026000000000, 0.0001621600000000, 0.0012437500000000 ] - [ 0.0009122400000000, 0.0009994300000000, -0.0013808100000000 ] - [ 0.0047789400000000, 0.0020763200000000, -0.0120353600000000 ] - [ 0.0003246700000000, 0.0030309200000000, -0.0004216300000000 ] - [ -0.0002511400000000, -0.0000937400000000, -0.0000407100000000 ] - [ 0.0000125300000000, -0.0002606100000000, -0.0010870100000000 ] - [ 0.0009732200000000, -0.0014443700000000, -0.0006708300000000 ] - [ 0.0105033800000000, 0.0186860400000000, 0.0049398300000000 ] - [ 0.0002180100000000, 0.0005213800000000, -0.0000906000000000 ] - [ 0.0001535900000000, 0.0022118200000000, -0.0006140400000000 ] - [ 0.0003992600000000, 0.0010691900000000, 0.0006447000000000 ] - [ 0.0019689900000000, -0.0025882400000000, 0.0020009300000000 ] - [ 0.0000953600000000, -0.0003504300000000, -0.0002437400000000 ] - [ 0.0055727400000000, -0.0091773600000000, -0.0005615200000000 ] - [ 0.0530394900000000, 0.0701516800000000, -0.0267438600000000 ] - [ -0.0002947100000000, 0.0006837900000000, 0.0006221000000000 ] - [ -0.0005961100000000, 0.0031830500000000, 0.0018333100000000 ] - [ -0.0006249200000000, -0.0006220700000000, -0.0022493600000000 ] - [ 0.0001225300000000, -0.0020608900000000, -0.0017681400000000 ] - [ 0.0000101600000000, -0.0016535400000000, 0.0007094900000000 ] - [ -0.0039421100000000, -0.0090049900000000, 0.0021682500000000 ] - [ -0.0019293800000000, 0.0022173900000000, 0.0067916000000000 ] - [ -0.0001791500000000, 0.0007492100000000, 0.0006125700000000 ] - [ 0.0031203600000000, 0.0139069900000000, 0.0030247900000000 ] - [ -0.0000362600000000, -0.0003333000000000, -0.0013088400000000 ] - [ 0.0015903100000000, 0.0087552400000000, -0.0002894400000000 ] - [ 0.0002373700000000, 0.0001621700000000, 0.0009370800000000 ] - [ 0.0081591400000000, -0.0079060300000000, -0.0002079000000000 ] - [ -0.0004768200000000, -0.0002896900000000, 0.0006273100000000 ] - [ -0.0004934200000000, -0.0030850200000000, -0.0061166000000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0100556800000000, -0.0216216900000000, -0.0024280400000000 ] - [ -0.0003434200000000, -0.0001681100000000, 0.0001967000000000 ] - [ -0.0038189400000000, 0.0020632700000000, 0.0021433600000000 ] - [ 0.0006343300000000, -0.0010621200000000, -0.0030101300000000 ] - [ -0.0004355600000000, -0.0000944100000000, -0.0000145700000000 ] - [ 0.0000748800000000, -0.0008868800000000, 0.0035959700000000 ] - [ 0.0034263100000000, -0.0034273500000000, 0.0020745400000000 ] - [ 0.0007805900000000, -0.0000478400000000, 0.0017293700000000 ] - [ 0.0842578900000000, 0.1171308100000000, -0.0331916500000000 ] - [ 0.0000673700000000, 0.0000474400000000, 0.0004322200000000 ] - [ 0.0042957600000000, -0.0038745800000000, 0.0039326600000000 ] - [ -0.0000089100000000, 0.0009042300000000, -0.0015321200000000 ] - [ 0.0000327300000000, 0.0005665600000000, -0.0017325100000000 ] - [ 0.0003489800000000, -0.0004212000000000, -0.0004029800000000 ] - [ 0.0014858800000000, -0.0005980700000000, -0.0011536200000000 ] - [ -0.0013934400000000, -0.0009042100000000, 0.0014753100000000 ] - [ -0.0042179000000000, -0.0025839200000000, 0.0119026600000000 ] - [ 0.0001706800000000, -0.0025097000000000, 0.0004558600000000 ] - [ -0.0002657200000000, -0.0004252000000000, -0.0000092800000000 ] - [ -0.0005373300000000, 0.0007678900000000, 0.0010398700000000 ] - [ -0.0011294000000000, 0.0015760200000000, 0.0006067000000000 ] - [ -0.0108300500000000, -0.0191146300000000, -0.0050956100000000 ] - [ -0.0000673500000000, -0.0003350400000000, 0.0000267300000000 ] - [ -0.0003286800000000, -0.0023329200000000, 0.0007014500000000 ] - [ -0.0002387400000000, -0.0009172600000000, -0.0006121400000000 ] - [ -0.0017859400000000, 0.0024046900000000, -0.0020597200000000 ] - [ 0.0000323700000000, 0.0001884500000000, 0.0002879200000000 ] - [ -0.0058375700000000, 0.0093097300000000, 0.0006586200000000 ] - [ -0.0497503500000000, -0.0684162400000000, 0.0250281000000000 ] - [ 0.0000118500000000, -0.0005605400000000, -0.0009782600000000 ] - [ 0.0004433300000000, -0.0029212200000000, -0.0014491000000000 ] - [ 0.0005111000000000, 0.0003256000000000, 0.0018953400000000 ] - [ 0.0000005600000000, 0.0023437200000000, 0.0013812900000000 ] - [ -0.0002883600000000, 0.0015215500000000, -0.0003317700000000 ] - [ 0.0042511300000000, 0.0091046000000000, -0.0017946300000000 ] - [ 0.0020496900000000, -0.0024772300000000, -0.0064212400000000 ] - [ -0.0003013200000000, -0.0007393300000000, -0.0006590600000000 ] - [ -0.0025949700000000, -0.0138619900000000, -0.0030871200000000 ] - [ 0.0000302300000000, -0.0001734200000000, 0.0013728000000000 ] - [ -0.0015623600000000, -0.0082396300000000, 0.0003070300000000 ] - [ -0.0002399100000000, -0.0006315500000000, -0.0009976900000000 ] - [ -0.0073464200000000, 0.0072173700000000, 0.0001629700000000 ] - [ -0.0000116300000000, 0.0002917500000000, -0.0005616900000000 ] - [ 0.0004843100000000, 0.0035825900000000, 0.0061154900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0018551300000000, 0.0016003400000000, -0.0087518000000000 ] - [ -0.0002962200000000, -0.0005943200000000, 0.0035070100000000 ] - [ -0.0099865700000000, -0.0015796600000000, -0.0031432000000000 ] - [ -0.0005179200000000, 0.0012011000000000, 0.0024183700000000 ] - [ -0.0002638400000000, 0.0004913000000000, 0.0011131500000000 ] - [ 0.0008448000000000, -0.0020267000000000, 0.0132493400000000 ] - [ 0.0034435500000000, -0.0040094200000000, 0.0005820700000000 ] - [ 0.0009671600000000, -0.0001232300000000, 0.0049856200000000 ] - [ 0.0292271800000000, 0.0342725800000000, -0.0949376100000000 ] - [ -0.0000574900000000, 0.0002465500000000, 0.0031406000000000 ] - [ 0.0041052900000000, -0.0049080500000000, -0.0010454200000000 ] - [ 0.0019238300000000, 0.0013072000000000, 0.0033798300000000 ] - [ -0.0017300200000000, 0.0034135600000000, 0.0033976000000000 ] - [ 0.0006265500000000, -0.0002139500000000, 0.0018867200000000 ] - [ 0.0002100300000000, 0.0009634800000000, -0.0007747400000000 ] - [ -0.0016703300000000, -0.0006361500000000, 0.0040449000000000 ] - [ -0.0063534500000000, -0.0065730400000000, 0.0115633100000000 ] - [ -0.0006767800000000, 0.0013423000000000, -0.0062261400000000 ] - [ -0.0005335400000000, -0.0003351600000000, 0.0059520500000000 ] - [ 0.0000778200000000, 0.0001221400000000, 0.0038729200000000 ] - [ -0.0009175700000000, 0.0007337800000000, 0.0022681500000000 ] - [ 0.0022255100000000, 0.0044698600000000, -0.0040478800000000 ] - [ -0.0004268500000000, -0.0001788100000000, 0.0020891500000000 ] - [ -0.0017056300000000, -0.0049686600000000, -0.0006532400000000 ] - [ -0.0000057600000000, 0.0000463900000000, 0.0014608000000000 ] - [ 0.0075386500000000, 0.0027921800000000, 0.0050626500000000 ] - [ 0.0006258500000000, 0.0003267800000000, 0.0024244400000000 ] - [ -0.0088608500000000, 0.0000881100000000, -0.0069273900000000 ] - [ -0.0279147200000000, -0.0238411400000000, 0.0390259100000000 ] - [ -0.0002060400000000, -0.0003502000000000, -0.0057940700000000 ] - [ -0.0031713200000000, 0.0018338100000000, 0.0002730300000000 ] - [ 0.0000895900000000, -0.0016106900000000, -0.0066148100000000 ] - [ 0.0044910900000000, -0.0002630500000000, 0.0030328000000000 ] - [ -0.0005452600000000, 0.0031253100000000, -0.0064187000000000 ] - [ -0.0008249200000000, 0.0011004500000000, 0.0076687000000000 ] - [ 0.0022978700000000, -0.0022790200000000, -0.0107071700000000 ] - [ -0.0003992600000000, -0.0017720400000000, -0.0070432500000000 ] - [ 0.0098816900000000, 0.0026197500000000, 0.0194463400000000 ] - [ 0.0004197300000000, -0.0005612500000000, -0.0037524300000000 ] - [ -0.0013630300000000, -0.0001870900000000, 0.0134840900000000 ] - [ -0.0005720500000000, 0.0005032700000000, -0.0054333000000000 ] - [ -0.0003751200000000, -0.0040637500000000, 0.0162564100000000 ] - [ 0.0000019700000000, -0.0000393600000000, -0.0051068000000000 ] - [ -0.0014787700000000, -0.0014855100000000, 0.0017919800000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013267600000000, -0.0015438600000000, 0.0087261500000000 ] - [ -0.0002791300000000, 0.0003953300000000, -0.0034845400000000 ] - [ 0.0100323600000000, 0.0021513700000000, 0.0031137800000000 ] - [ 0.0006315800000000, -0.0017948200000000, -0.0024393600000000 ] - [ 0.0001440500000000, 0.0000951800000000, -0.0011154300000000 ] - [ -0.0013963900000000, 0.0021956600000000, -0.0130994200000000 ] - [ -0.0028782200000000, 0.0038460300000000, -0.0005838700000000 ] - [ -0.0011135100000000, -0.0004611300000000, -0.0049998300000000 ] - [ -0.0292431800000000, -0.0335741900000000, 0.0926035300000000 ] - [ 0.0001203700000000, -0.0007537700000000, -0.0032658900000000 ] - [ -0.0035219000000000, 0.0048217500000000, 0.0011668100000000 ] - [ -0.0013698400000000, -0.0013355700000000, -0.0035543300000000 ] - [ 0.0011314200000000, -0.0033511300000000, -0.0035150200000000 ] - [ -0.0005515600000000, 0.0007256300000000, -0.0017629100000000 ] - [ -0.0002633900000000, -0.0014798600000000, 0.0009212900000000 ] - [ 0.0011254500000000, 0.0006586300000000, -0.0039303700000000 ] - [ 0.0069719400000000, 0.0061357000000000, -0.0116493600000000 ] - [ 0.0012254100000000, -0.0007999300000000, 0.0062616200000000 ] - [ -0.0000259000000000, -0.0002062000000000, -0.0058599400000000 ] - [ -0.0006259900000000, 0.0004017600000000, -0.0038824000000000 ] - [ 0.0006910800000000, -0.0005628200000000, -0.0023678800000000 ] - [ -0.0023373500000000, -0.0046265900000000, 0.0039807600000000 ] - [ 0.0005446600000000, 0.0003638500000000, -0.0021705700000000 ] - [ 0.0014380200000000, 0.0047076800000000, 0.0007350200000000 ] - [ 0.0002567500000000, 0.0001379300000000, -0.0013853200000000 ] - [ -0.0072164600000000, -0.0028987100000000, -0.0050786600000000 ] - [ -0.0005088900000000, -0.0005037800000000, -0.0023511000000000 ] - [ 0.0085943300000000, 0.0001252800000000, 0.0071107900000000 ] - [ 0.0286903100000000, 0.0241526700000000, -0.0391357900000000 ] - [ -0.0000781100000000, 0.0004814700000000, 0.0054213900000000 ] - [ 0.0030334900000000, -0.0015386300000000, 0.0001135800000000 ] - [ -0.0002124400000000, 0.0013445600000000, 0.0062416900000000 ] - [ -0.0043046400000000, 0.0005493300000000, -0.0033266700000000 ] - [ 0.0002569100000000, -0.0032200400000000, 0.0067253400000000 ] - [ 0.0010904800000000, -0.0009654300000000, -0.0072992700000000 ] - [ -0.0021768200000000, 0.0020059800000000, 0.0110117700000000 ] - [ -0.0000937200000000, 0.0017542400000000, 0.0069436800000000 ] - [ -0.0095961400000000, -0.0027107800000000, -0.0193643600000000 ] - [ -0.0004115600000000, 0.0000690700000000, 0.0037401900000000 ] - [ 0.0011133700000000, 0.0002011400000000, -0.0118194900000000 ] - [ 0.0005781300000000, -0.0010029100000000, 0.0053220900000000 ] - [ 0.0008992500000000, 0.0040059200000000, -0.0161951200000000 ] - [ -0.0004864400000000, 0.0000366200000000, 0.0051385400000000 ] - [ 0.0014490100000000, 0.0019673900000000, -0.0016411500000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0043924100000000, -0.0011423500000000, -0.0006687700000000 ] - [ 0.0000149100000000, -0.0003854600000000, -0.0013850500000000 ] - [ 0.0013943600000000, 0.0003408300000000, 0.0000732000000000 ] - [ -0.0022310800000000, -0.0002848600000000, 0.0004020200000000 ] - [ 0.0002340600000000, 0.0002251700000000, -0.0009868100000000 ] - [ -0.0003537400000000, 0.0003912200000000, -0.0005733100000000 ] - [ 0.0105682000000000, -0.0007678100000000, -0.0018759100000000 ] - [ -0.0011305700000000, 0.0004683000000000, 0.0116794400000000 ] - [ -0.0004276800000000, 0.0047442800000000, -0.0067076900000000 ] - [ 0.0012682700000000, 0.0000062200000000, -0.0004420300000000 ] - [ -0.0002643400000000, -0.0002880400000000, 0.0002299000000000 ] - [ 0.0030006400000000, 0.0014724500000000, 0.0009990800000000 ] - [ -0.0000974300000000, -0.0002440600000000, -0.0000182500000000 ] - [ -0.0003949700000000, 0.0002534500000000, -0.0001908700000000 ] - [ 0.0019903400000000, -0.0003074500000000, 0.0010106900000000 ] - [ 0.0020898100000000, 0.0023010800000000, -0.0063270900000000 ] - [ -0.0599742200000000, 0.0317625700000000, 0.0327571900000000 ] - [ 0.0005713900000000, 0.0001117000000000, -0.0007068300000000 ] - [ -0.0006123000000000, -0.0000968200000000, 0.0001837600000000 ] - [ -0.0002398700000000, 0.0003080900000000, -0.0006185900000000 ] - [ 0.0069698300000000, -0.0080908500000000, -0.0075255700000000 ] - [ 0.0009790300000000, -0.0009012100000000, -0.0005436800000000 ] - [ 0.0006622000000000, 0.0000031000000000, 0.0000035900000000 ] - [ -0.0001610900000000, 0.0001019000000000, -0.0001522300000000 ] - [ 0.0023566700000000, -0.0009091100000000, 0.0012088700000000 ] - [ -0.0003217100000000, -0.0000723000000000, -0.0001104300000000 ] - [ -0.0006796600000000, -0.0001067000000000, -0.0005325200000000 ] - [ 0.0024032800000000, -0.0073039700000000, 0.0064856600000000 ] - [ 0.0217661100000000, -0.0111308800000000, 0.0246644300000000 ] - [ -0.0004579800000000, -0.0002305000000000, 0.0020126100000000 ] - [ -0.0000716800000000, 0.0001291000000000, -0.0003455900000000 ] - [ 0.0008006600000000, 0.0004143000000000, -0.0015535000000000 ] - [ -0.0003235300000000, 0.0003114800000000, 0.0005160600000000 ] - [ -0.0000584900000000, -0.0003068000000000, 0.0001396200000000 ] - [ -0.0044830200000000, 0.0028568700000000, 0.0015299200000000 ] - [ 0.0371674800000000, -0.0122627300000000, -0.0502808500000000 ] - [ -0.0003594700000000, 0.0000151200000000, -0.0013508300000000 ] - [ -0.0072114200000000, -0.0017254400000000, 0.0005906700000000 ] - [ -0.0017253700000000, 0.0012879500000000, -0.0009324500000000 ] - [ 0.0000190600000000, -0.0001505300000000, 0.0020891200000000 ] - [ -0.0126501200000000, -0.0019108400000000, -0.0054242700000000 ] - [ 0.0051238700000000, 0.0006377900000000, -0.0003701600000000 ] - [ -0.0008425600000000, 0.0001481700000000, 0.0026345200000000 ] - [ 0.0000845700000000, 0.0003275700000000, 0.0004129400000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0049893000000000, 0.0013028500000000, 0.0006527000000000 ] - [ -0.0005878400000000, 0.0002173000000000, 0.0013798800000000 ] - [ -0.0011944000000000, 0.0002282600000000, -0.0000832100000000 ] - [ 0.0024589100000000, -0.0002879000000000, -0.0003614400000000 ] - [ -0.0004072000000000, 0.0003442200000000, 0.0010055600000000 ] - [ -0.0002115800000000, -0.0001887900000000, 0.0005333400000000 ] - [ -0.0100909600000000, 0.0005708500000000, 0.0018900000000000 ] - [ 0.0009629900000000, -0.0010606800000000, -0.0117403700000000 ] - [ 0.0003762200000000, -0.0042726100000000, 0.0066304900000000 ] - [ -0.0011972800000000, -0.0005237300000000, 0.0003022700000000 ] - [ 0.0007580200000000, 0.0002014700000000, -0.0000967900000000 ] - [ -0.0025266200000000, -0.0014015300000000, -0.0011348700000000 ] - [ -0.0004117300000000, 0.0001727700000000, -0.0001068200000000 ] - [ 0.0004841700000000, 0.0002515900000000, 0.0002990200000000 ] - [ -0.0020763100000000, -0.0001585200000000, -0.0008827000000000 ] - [ -0.0025635200000000, -0.0021996500000000, 0.0063554200000000 ] - [ 0.0615071200000000, -0.0323606700000000, -0.0314251800000000 ] - [ -0.0000201000000000, 0.0004359900000000, 0.0007863000000000 ] - [ 0.0000952900000000, -0.0004289900000000, -0.0002281700000000 ] - [ -0.0002959900000000, 0.0002406200000000, 0.0006640900000000 ] - [ -0.0071250500000000, 0.0081364200000000, 0.0073557600000000 ] - [ -0.0011214200000000, 0.0007292500000000, 0.0005091900000000 ] - [ -0.0005150200000000, 0.0001826600000000, -0.0000749600000000 ] - [ -0.0000399000000000, -0.0002621800000000, 0.0002248400000000 ] - [ -0.0021888900000000, 0.0010634400000000, -0.0011816900000000 ] - [ 0.0004988400000000, -0.0000724300000000, 0.0000588100000000 ] - [ 0.0008391900000000, -0.0001055200000000, 0.0005779200000000 ] - [ -0.0026183000000000, 0.0074866900000000, -0.0063815000000000 ] - [ -0.0220694500000000, 0.0112291300000000, -0.0254354000000000 ] - [ 0.0001728500000000, 0.0003619900000000, -0.0023555000000000 ] - [ -0.0000571300000000, 0.0001470200000000, 0.0007005900000000 ] - [ -0.0009573900000000, -0.0006914600000000, 0.0011978900000000 ] - [ 0.0004554900000000, -0.0000274200000000, -0.0008769700000000 ] - [ -0.0002216100000000, 0.0001764500000000, 0.0002240900000000 ] - [ 0.0047469000000000, -0.0027647400000000, -0.0012086800000000 ] - [ -0.0374335500000000, 0.0119503700000000, 0.0498152700000000 ] - [ -0.0001301500000000, -0.0000114300000000, 0.0012760900000000 ] - [ 0.0077128800000000, 0.0017366300000000, -0.0006871800000000 ] - [ 0.0017405300000000, -0.0018012300000000, 0.0009985900000000 ] - [ -0.0000137600000000, 0.0006417600000000, -0.0021448000000000 ] - [ 0.0126511300000000, 0.0014253500000000, 0.0054289200000000 ] - [ -0.0046328300000000, -0.0006169100000000, 0.0004252000000000 ] - [ 0.0003556300000000, -0.0001609200000000, -0.0025585300000000 ] - [ -0.0000974500000000, 0.0001642200000000, -0.0003274700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0042563600000000, 0.0142516900000000, 0.0338849900000000 ] - [ -0.0004794100000000, -0.0001762800000000, 0.0031964500000000 ] - [ 0.0000203800000000, 0.0000852400000000, 0.0031588500000000 ] - [ -0.0002296000000000, -0.0020603600000000, -0.0083138000000000 ] - [ 0.0003257900000000, 0.0002300300000000, 0.0057108700000000 ] - [ -0.0003346400000000, 0.0005244200000000, 0.0056708600000000 ] - [ -0.0014698700000000, -0.0004489500000000, -0.0083937300000000 ] - [ 0.0136837200000000, 0.0035787200000000, 0.0332042000000000 ] - [ -0.0071902800000000, -0.0117989600000000, 0.0115915100000000 ] - [ 0.0009309200000000, 0.0008046600000000, 0.0037931200000000 ] - [ 0.0013096200000000, 0.0008612500000000, 0.0039175400000000 ] - [ -0.0001934500000000, 0.0015422900000000, -0.0062743400000000 ] - [ -0.0002840700000000, -0.0004610500000000, 0.0058470900000000 ] - [ -0.0003782500000000, 0.0002311700000000, 0.0059634000000000 ] - [ 0.0014492000000000, -0.0007093100000000, -0.0061639700000000 ] - [ -0.0120866100000000, -0.0070047400000000, 0.0115751900000000 ] - [ 0.0294564600000000, 0.0347207400000000, -0.3677183400000000 ] - [ 0.0010448200000000, 0.0004854800000000, 0.0014248200000000 ] - [ -0.0000762100000000, 0.0004864000000000, 0.0014172800000000 ] - [ 0.0003754400000000, 0.0009309000000000, 0.0070690300000000 ] - [ -0.0129652500000000, 0.0116829200000000, 0.0033686200000000 ] - [ -0.0033019100000000, -0.0002754100000000, -0.0028627200000000 ] - [ -0.0002006000000000, -0.0012442800000000, 0.0029136100000000 ] - [ -0.0014360000000000, -0.0003459500000000, 0.0029898900000000 ] - [ -0.0000901800000000, -0.0031389800000000, -0.0027986400000000 ] - [ 0.0009610400000000, -0.0007799200000000, 0.0042143700000000 ] - [ -0.0006241500000000, 0.0007703100000000, 0.0042566900000000 ] - [ 0.0116119300000000, -0.0128914400000000, 0.0034108000000000 ] - [ 0.0254850300000000, -0.0515322100000000, 0.1440150400000000 ] - [ 0.0003642400000000, -0.0028698400000000, -0.0088149800000000 ] - [ -0.0030101200000000, 0.0006354100000000, -0.0084484700000000 ] - [ 0.0002187000000000, 0.0017284200000000, 0.0039930500000000 ] - [ 0.0011049600000000, 0.0008672000000000, -0.0059558200000000 ] - [ 0.0005883000000000, 0.0009595900000000, -0.0056148400000000 ] - [ 0.0020183600000000, 0.0003687200000000, 0.0043991600000000 ] - [ -0.0475121500000000, 0.0233896200000000, 0.1359400100000000 ] - [ -0.0011164500000000, -0.0004869700000000, -0.0152135400000000 ] - [ -0.0004800400000000, 0.0010233100000000, 0.0090633000000000 ] - [ 0.0010459800000000, -0.0010020100000000, 0.0090847900000000 ] - [ 0.0012517400000000, 0.0011018500000000, -0.0108462700000000 ] - [ -0.0044880700000000, -0.0001417100000000, 0.0090798400000000 ] - [ 0.0003278600000000, -0.0045107000000000, 0.0092339500000000 ] - [ 0.0006136400000000, 0.0012469900000000, -0.0107814900000000 ] - [ -0.0004971700000000, -0.0006282700000000, -0.0151873800000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001393100000000, -0.0008528800000000, -0.0027722400000000 ] - [ -0.0027013500000000, -0.0028712300000000, -0.0032429200000000 ] - [ -0.0001188900000000, 0.0002987100000000, 0.0004479800000000 ] - [ 0.0052933300000000, 0.0047141900000000, -0.0016491300000000 ] - [ -0.0003507500000000, 0.0003347300000000, 0.0001092100000000 ] - [ -0.0000133800000000, 0.0001803700000000, -0.0000054300000000 ] - [ 0.0021970600000000, 0.0030468000000000, 0.0057599800000000 ] - [ 0.0202980500000000, -0.0074255100000000, 0.0038416700000000 ] - [ 0.0012513400000000, 0.0013315200000000, -0.0008983000000000 ] - [ 0.0033918700000000, 0.0016375600000000, -0.0074928800000000 ] - [ 0.0000138800000000, -0.0001499000000000, -0.0003400300000000 ] - [ 0.0192776200000000, -0.0099980200000000, 0.0045339400000000 ] - [ 0.0001710600000000, -0.0001031500000000, 0.0002138700000000 ] - [ -0.0002522300000000, -0.0000545500000000, -0.0000261500000000 ] - [ -0.0010925400000000, -0.0005181300000000, 0.0016565100000000 ] - [ -0.0094698000000000, -0.0080184000000000, 0.0000649300000000 ] - [ 0.0073098800000000, -0.0076239500000000, -0.0128584400000000 ] - [ 0.0001932500000000, 0.0003506300000000, 0.0013259100000000 ] - [ 0.0020232700000000, 0.0005272000000000, -0.0002452200000000 ] - [ -0.0006638900000000, 0.0002533100000000, -0.0009069600000000 ] - [ -0.1650521000000000, 0.1065507300000000, 0.0014158900000000 ] - [ 0.0014923100000000, -0.0002117500000000, 0.0005724900000000 ] - [ 0.0011267100000000, 0.0002440300000000, 0.0002215400000000 ] - [ 0.0002043100000000, -0.0000264200000000, 0.0001168600000000 ] - [ 0.0007821700000000, 0.0044511700000000, -0.0002750400000000 ] - [ -0.0000884500000000, 0.0001357700000000, -0.0001898900000000 ] - [ -0.0013529900000000, -0.0005729100000000, 0.0020009500000000 ] - [ -0.0031821700000000, 0.0016806400000000, -0.0006459200000000 ] - [ 0.0018490400000000, -0.0041728800000000, 0.0093020400000000 ] - [ 0.0048810300000000, 0.0001481100000000, 0.0035202100000000 ] - [ 0.0007234700000000, -0.0000025900000000, 0.0007496300000000 ] - [ -0.0106671900000000, 0.0031957600000000, 0.0019577200000000 ] - [ -0.0004319100000000, 0.0000743500000000, -0.0006078300000000 ] - [ -0.0002685300000000, 0.0001359100000000, -0.0004621700000000 ] - [ -0.0001005000000000, -0.0017327000000000, -0.0020121300000000 ] - [ 0.1012306800000000, -0.0819965000000000, -0.0011925100000000 ] - [ -0.0031449600000000, -0.0005598400000000, -0.0040499300000000 ] - [ -0.0004947300000000, 0.0009514000000000, -0.0065284700000000 ] - [ 0.0139499300000000, -0.0079058900000000, 0.0027823800000000 ] - [ -0.0003880300000000, 0.0000825400000000, 0.0002961300000000 ] - [ 0.0103544500000000, 0.0030204800000000, 0.0028577900000000 ] - [ 0.0007167900000000, 0.0010119600000000, 0.0015334400000000 ] - [ 0.0010709200000000, 0.0000119700000000, 0.0002520000000000 ] - [ 0.0001713000000000, 0.0004273400000000, 0.0008685100000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007231600000000, 0.0009849700000000, 0.0028072300000000 ] - [ 0.0020829100000000, 0.0027411300000000, 0.0033179900000000 ] - [ 0.0002369600000000, 0.0002797700000000, -0.0004178400000000 ] - [ -0.0050706700000000, -0.0053595900000000, 0.0016917200000000 ] - [ 0.0001639600000000, 0.0002414600000000, -0.0000626200000000 ] - [ -0.0005579900000000, -0.0000695100000000, 0.0000109100000000 ] - [ -0.0016338300000000, -0.0031557700000000, -0.0057053900000000 ] - [ -0.0206040800000000, 0.0069730600000000, -0.0039820100000000 ] - [ -0.0012529100000000, -0.0007808200000000, 0.0007722600000000 ] - [ -0.0033668700000000, -0.0021557900000000, 0.0072926100000000 ] - [ 0.0005419200000000, 0.0001306600000000, 0.0004966000000000 ] - [ -0.0184891500000000, 0.0098749700000000, -0.0045578900000000 ] - [ -0.0006892200000000, 0.0000455500000000, -0.0003324600000000 ] - [ 0.0002853200000000, 0.0006108500000000, 0.0001668800000000 ] - [ 0.0010644600000000, -0.0000152600000000, -0.0015507400000000 ] - [ 0.0089994700000000, 0.0079676100000000, 0.0000796800000000 ] - [ -0.0068037200000000, 0.0071969700000000, 0.0130277800000000 ] - [ 0.0003186100000000, 0.0001853300000000, -0.0013192900000000 ] - [ -0.0025504200000000, -0.0010894100000000, 0.0001663500000000 ] - [ 0.0001321500000000, 0.0002543600000000, 0.0008833100000000 ] - [ 0.1666496600000000, -0.1123188000000000, -0.0014034300000000 ] - [ -0.0016536900000000, -0.0000199400000000, -0.0006559500000000 ] - [ -0.0009773900000000, 0.0000057800000000, -0.0003364500000000 ] - [ -0.0003789300000000, -0.0000818300000000, -0.0000066700000000 ] - [ -0.0006561600000000, -0.0042054500000000, 0.0003650100000000 ] - [ 0.0003258400000000, -0.0002914900000000, 0.0001093700000000 ] - [ 0.0015102300000000, 0.0003654400000000, -0.0019001200000000 ] - [ 0.0030333300000000, -0.0014508900000000, 0.0007012300000000 ] - [ -0.0015988600000000, 0.0040692300000000, -0.0096700900000000 ] - [ -0.0051198700000000, 0.0000260200000000, -0.0039595700000000 ] - [ -0.0008643300000000, 0.0002811200000000, -0.0004042000000000 ] - [ 0.0105310500000000, -0.0034461400000000, -0.0023072900000000 ] - [ 0.0005723500000000, 0.0002125700000000, 0.0002508700000000 ] - [ -0.0000173000000000, -0.0002756200000000, 0.0008231900000000 ] - [ 0.0004078000000000, 0.0018472000000000, 0.0023508400000000 ] - [ -0.1044602700000000, 0.0865334200000000, 0.0013353500000000 ] - [ 0.0026700700000000, 0.0005362300000000, 0.0040704300000000 ] - [ 0.0009966200000000, -0.0009208600000000, 0.0064834000000000 ] - [ -0.0140378900000000, 0.0075315300000000, -0.0027333700000000 ] - [ 0.0003656400000000, 0.0003779800000000, -0.0003210700000000 ] - [ -0.0088913400000000, -0.0026253800000000, -0.0029890900000000 ] - [ -0.0002731700000000, -0.0010537000000000, -0.0015004900000000 ] - [ -0.0015236200000000, -0.0000010300000000, -0.0002582800000000 ] - [ -0.0001398500000000, 0.0000440400000000, -0.0008286800000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008273100000000, 0.0012782100000000, 0.0018449500000000 ] - [ -0.0019082900000000, 0.0091326100000000, 0.0124827000000000 ] - [ -0.0000222600000000, 0.0002089000000000, -0.0003332900000000 ] - [ 0.0073864900000000, 0.0067402700000000, -0.0041920700000000 ] - [ 0.0000916100000000, 0.0003334000000000, -0.0008456500000000 ] - [ -0.0002206000000000, -0.0006530600000000, 0.0004944100000000 ] - [ 0.0014951900000000, 0.0013263400000000, 0.0041080700000000 ] - [ -0.0016836400000000, -0.0012316300000000, -0.0041023000000000 ] - [ -0.0002004700000000, -0.0012442800000000, 0.0005990400000000 ] - [ 0.0004263600000000, -0.0027699300000000, -0.0028748400000000 ] - [ 0.0002922900000000, 0.0000628200000000, -0.0004700700000000 ] - [ -0.0103522600000000, -0.0009367300000000, -0.0023355600000000 ] - [ -0.0004004800000000, 0.0000027300000000, -0.0005572300000000 ] - [ -0.0000903300000000, 0.0012701800000000, 0.0000913500000000 ] - [ -0.0011063300000000, 0.0020204100000000, -0.0047347800000000 ] - [ 0.0054277800000000, 0.0550332100000000, -0.0088436600000000 ] - [ -0.0078385200000000, 0.0021877400000000, 0.0116556700000000 ] - [ 0.0001123700000000, 0.0008855500000000, -0.0002326300000000 ] - [ 0.0006898700000000, 0.0007674800000000, 0.0031791100000000 ] - [ -0.0002976900000000, -0.0004647200000000, 0.0007174300000000 ] - [ 0.1113567400000000, -0.2490075600000000, 0.0120488200000000 ] - [ -0.0001650200000000, 0.0009453700000000, -0.0009122700000000 ] - [ 0.0001753600000000, 0.0016554400000000, 0.0002411800000000 ] - [ -0.0001111800000000, 0.0001364300000000, -0.0000539800000000 ] - [ -0.0041844200000000, 0.0076601100000000, 0.0013824300000000 ] - [ 0.0003092400000000, -0.0004377400000000, -0.0001979400000000 ] - [ 0.0003224000000000, -0.0015196400000000, -0.0019839200000000 ] - [ 0.0017660200000000, -0.0029925400000000, -0.0015403500000000 ] - [ -0.0025135000000000, 0.0050280700000000, -0.0080314900000000 ] - [ 0.0009414600000000, 0.0080374300000000, -0.0051256000000000 ] - [ -0.0003820500000000, 0.0003409700000000, 0.0003099800000000 ] - [ -0.0024148100000000, -0.0030993100000000, -0.0035340900000000 ] - [ -0.0000683800000000, -0.0000059500000000, 0.0001373000000000 ] - [ -0.0001787800000000, -0.0016238300000000, -0.0022466300000000 ] - [ 0.0022093400000000, -0.0050855600000000, -0.0001729300000000 ] - [ -0.0948546400000000, 0.1143749400000000, -0.0025398500000000 ] - [ 0.0002202000000000, 0.0005849400000000, 0.0035332900000000 ] - [ 0.0018103600000000, 0.0032035100000000, 0.0035896000000000 ] - [ -0.0078442000000000, 0.0367582200000000, -0.0101702100000000 ] - [ 0.0001033200000000, 0.0004878500000000, -0.0000620700000000 ] - [ 0.0039986200000000, 0.0164713100000000, -0.0002984400000000 ] - [ -0.0007814800000000, -0.0016389300000000, 0.0041586300000000 ] - [ -0.0023660700000000, -0.0041870800000000, 0.0059594800000000 ] - [ 0.0000231000000000, -0.0000359400000000, -0.0001415900000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002591700000000, -0.0010934600000000, -0.0018090500000000 ] - [ 0.0013589300000000, -0.0093110300000000, -0.0126768700000000 ] - [ 0.0002277900000000, 0.0003586500000000, 0.0003239800000000 ] - [ -0.0072976200000000, -0.0073273600000000, 0.0042992700000000 ] - [ -0.0002796100000000, 0.0002323100000000, 0.0008684400000000 ] - [ -0.0003448700000000, 0.0008536600000000, -0.0005310600000000 ] - [ -0.0009320400000000, -0.0015767700000000, -0.0041820500000000 ] - [ 0.0015525300000000, 0.0006074500000000, 0.0040896200000000 ] - [ 0.0001408600000000, 0.0017582900000000, -0.0007078700000000 ] - [ -0.0003952700000000, 0.0022488300000000, 0.0028246000000000 ] - [ 0.0002143900000000, -0.0001371600000000, 0.0006119100000000 ] - [ 0.0109684800000000, 0.0010998200000000, 0.0022529900000000 ] - [ -0.0001077600000000, -0.0000724500000000, 0.0004442700000000 ] - [ 0.0001562100000000, -0.0007655000000000, 0.0000176500000000 ] - [ 0.0010454300000000, -0.0025355200000000, 0.0049685300000000 ] - [ -0.0059461400000000, -0.0542672900000000, 0.0086076500000000 ] - [ 0.0083742200000000, -0.0028359900000000, -0.0116486700000000 ] - [ 0.0004681400000000, -0.0003170800000000, 0.0002928700000000 ] - [ -0.0012566500000000, -0.0013206900000000, -0.0032460300000000 ] - [ -0.0002749100000000, 0.0010486200000000, -0.0007023500000000 ] - [ -0.1075235800000000, 0.2478304600000000, -0.0119761100000000 ] - [ 0.0000206900000000, -0.0011414500000000, 0.0008725000000000 ] - [ -0.0000050600000000, -0.0014719000000000, -0.0003206900000000 ] - [ -0.0000874900000000, -0.0002947800000000, 0.0001304900000000 ] - [ 0.0045202900000000, -0.0076377700000000, -0.0013659200000000 ] - [ -0.0001208300000000, 0.0002924000000000, 0.0001476900000000 ] - [ -0.0001622900000000, 0.0012959900000000, 0.0020969700000000 ] - [ -0.0019305600000000, 0.0032255400000000, 0.0015678200000000 ] - [ 0.0027771600000000, -0.0051637200000000, 0.0077506200000000 ] - [ -0.0011907700000000, -0.0080439900000000, 0.0046529200000000 ] - [ 0.0002549300000000, -0.0000752100000000, 0.0000389900000000 ] - [ 0.0022785300000000, 0.0027898200000000, 0.0032334300000000 ] - [ 0.0001918600000000, 0.0002893600000000, -0.0005111300000000 ] - [ -0.0000888300000000, 0.0014972400000000, 0.0026305500000000 ] - [ -0.0019795200000000, 0.0052884200000000, 0.0005045800000000 ] - [ 0.0896510500000000, -0.1106176300000000, 0.0026866400000000 ] - [ -0.0007127100000000, -0.0005757300000000, -0.0036453200000000 ] - [ -0.0013040800000000, -0.0032659800000000, -0.0036595900000000 ] - [ 0.0084786000000000, -0.0406456400000000, 0.0105922100000000 ] - [ -0.0001047200000000, -0.0000042400000000, -0.0000067500000000 ] - [ -0.0035043500000000, -0.0166430200000000, 0.0002749900000000 ] - [ 0.0012848300000000, 0.0016367100000000, -0.0041506800000000 ] - [ 0.0018754400000000, 0.0042571000000000, -0.0058338400000000 ] - [ -0.0000315400000000, 0.0005306600000000, 0.0001917900000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003044500000000, 0.0011291100000000, 0.0033502900000000 ] - [ -0.0026394000000000, 0.0092390700000000, 0.0051321100000000 ] - [ 0.0000191700000000, 0.0001514400000000, 0.0028622400000000 ] - [ -0.0026755600000000, -0.0035883500000000, -0.0024382700000000 ] - [ -0.0005057300000000, 0.0000559900000000, 0.0026969900000000 ] - [ -0.0002482900000000, 0.0005392000000000, 0.0017224600000000 ] - [ 0.0028579000000000, 0.0028096800000000, 0.0009993500000000 ] - [ 0.0047597400000000, -0.0024715000000000, -0.0032449300000000 ] - [ -0.0011109700000000, -0.0003968800000000, 0.0022358300000000 ] - [ -0.0057005800000000, -0.0022495900000000, 0.0049634500000000 ] - [ 0.0005123400000000, -0.0001530000000000, 0.0024747400000000 ] - [ 0.0052485000000000, -0.0026606100000000, -0.0041078200000000 ] - [ -0.0001858100000000, -0.0001603100000000, 0.0020498500000000 ] - [ 0.0006265900000000, -0.0003855100000000, 0.0014939800000000 ] - [ 0.0003708400000000, -0.0009057400000000, -0.0006158800000000 ] - [ -0.0008486400000000, -0.0130421500000000, -0.0068974400000000 ] - [ -0.0072167000000000, 0.0062032200000000, 0.0033980000000000 ] - [ 0.0004593100000000, 0.0003092400000000, 0.0029752200000000 ] - [ 0.0009251500000000, 0.0002580800000000, -0.0028109100000000 ] - [ -0.0001914100000000, 0.0008261700000000, 0.0042311500000000 ] - [ 0.0010304600000000, 0.0124009400000000, -0.0396748600000000 ] - [ -0.0003585400000000, 0.0001974500000000, 0.0005136600000000 ] - [ -0.0008170000000000, -0.0005259200000000, 0.0005036100000000 ] - [ -0.0001498300000000, -0.0001765500000000, 0.0014769000000000 ] - [ -0.0002484100000000, -0.0013028900000000, -0.0020386100000000 ] - [ 0.0002378800000000, 0.0000975100000000, 0.0023946100000000 ] - [ 0.0020975000000000, -0.0020171300000000, 0.0069801900000000 ] - [ -0.0016462500000000, -0.0005893400000000, 0.0079224300000000 ] - [ 0.0028232100000000, -0.0010538100000000, -0.0076539800000000 ] - [ 0.0031271700000000, -0.0038879700000000, -0.0135163500000000 ] - [ -0.0008099000000000, 0.0003136100000000, -0.0054780500000000 ] - [ 0.0009840300000000, 0.0007363300000000, 0.0067175800000000 ] - [ 0.0000981200000000, 0.0001982000000000, -0.0041018200000000 ] - [ 0.0002190800000000, 0.0003638400000000, 0.0001082300000000 ] - [ 0.0007890500000000, -0.0014348500000000, -0.0022510700000000 ] - [ 0.0020327700000000, -0.0030785900000000, 0.0232054800000000 ] - [ -0.0011792400000000, 0.0004385900000000, -0.0025837300000000 ] - [ -0.0042423300000000, 0.0019812000000000, -0.0047266700000000 ] - [ 0.0016168600000000, -0.0019297300000000, 0.0113909100000000 ] - [ 0.0001190600000000, 0.0003020600000000, -0.0043146500000000 ] - [ -0.0014621000000000, 0.0001411800000000, 0.0138884000000000 ] - [ 0.0011402100000000, 0.0014342700000000, -0.0024168100000000 ] - [ 0.0000655500000000, 0.0014518300000000, -0.0021248000000000 ] - [ -0.0002282200000000, 0.0004322200000000, -0.0046910300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002699600000000, -0.0009217400000000, -0.0033119000000000 ] - [ 0.0021078000000000, -0.0095960900000000, -0.0051374600000000 ] - [ 0.0001959000000000, 0.0004145500000000, -0.0028848500000000 ] - [ 0.0029159600000000, 0.0030196900000000, 0.0024430100000000 ] - [ 0.0003001200000000, 0.0005222200000000, -0.0026560000000000 ] - [ -0.0003201100000000, -0.0003213000000000, -0.0017697800000000 ] - [ -0.0022534100000000, -0.0030180700000000, -0.0010547400000000 ] - [ -0.0049967400000000, 0.0019087400000000, 0.0032294900000000 ] - [ 0.0010339200000000, 0.0008868300000000, -0.0023502000000000 ] - [ 0.0058833000000000, 0.0017911900000000, -0.0051452300000000 ] - [ -0.0000213800000000, 0.0000577200000000, -0.0023451800000000 ] - [ -0.0047865700000000, 0.0027555600000000, 0.0039517100000000 ] - [ -0.0003094600000000, 0.0000818600000000, -0.0021644900000000 ] - [ -0.0005357200000000, 0.0008832800000000, -0.0013800800000000 ] - [ -0.0004643400000000, 0.0004227900000000, 0.0007036100000000 ] - [ 0.0003761200000000, 0.0130757700000000, 0.0070875800000000 ] - [ 0.0076602700000000, -0.0066688700000000, -0.0033597800000000 ] - [ 0.0000654500000000, 0.0002129400000000, -0.0029060000000000 ] - [ -0.0014508000000000, -0.0007810900000000, 0.0028173100000000 ] - [ -0.0003482400000000, -0.0002989100000000, -0.0042149800000000 ] - [ -0.0017898200000000, -0.0116307700000000, 0.0395542600000000 ] - [ 0.0002233000000000, -0.0003567700000000, -0.0005668300000000 ] - [ 0.0009588400000000, 0.0007018000000000, -0.0005631200000000 ] - [ -0.0000330800000000, 0.0000294600000000, -0.0014103200000000 ] - [ 0.0003781100000000, 0.0014266400000000, 0.0020677800000000 ] - [ -0.0000660000000000, -0.0002397900000000, -0.0024390000000000 ] - [ -0.0019932300000000, 0.0018803000000000, -0.0070636200000000 ] - [ 0.0014677000000000, 0.0007739800000000, -0.0077598200000000 ] - [ -0.0025042700000000, 0.0008900100000000, 0.0073109600000000 ] - [ -0.0034595200000000, 0.0040937800000000, 0.0132536600000000 ] - [ 0.0006727400000000, -0.0000370300000000, 0.0058239500000000 ] - [ -0.0011091900000000, -0.0010066300000000, -0.0070895300000000 ] - [ 0.0000368500000000, 0.0000799000000000, 0.0037470500000000 ] - [ -0.0004987800000000, -0.0004958000000000, 0.0002223600000000 ] - [ -0.0005049300000000, 0.0015621700000000, 0.0026160700000000 ] - [ -0.0011676600000000, 0.0019953500000000, -0.0227114700000000 ] - [ 0.0006992000000000, -0.0004484400000000, 0.0024817400000000 ] - [ 0.0046989400000000, -0.0019656300000000, 0.0046610700000000 ] - [ -0.0016380800000000, 0.0016739800000000, -0.0113893100000000 ] - [ -0.0001140400000000, 0.0001924000000000, 0.0042604300000000 ] - [ 0.0013864500000000, -0.0007035100000000, -0.0139471700000000 ] - [ -0.0006425100000000, -0.0014143200000000, 0.0024998000000000 ] - [ -0.0005482000000000, -0.0014801000000000, 0.0021299800000000 ] - [ 0.0002251500000000, 0.0000519300000000, 0.0047590300000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0202105100000000, 0.0035839400000000, -0.0003827000000000 ] - [ -0.0003787200000000, 0.0001254600000000, 0.0003628700000000 ] - [ -0.0083808800000000, 0.0006067400000000, -0.0025904200000000 ] - [ 0.0030980200000000, 0.0004800600000000, 0.0013462800000000 ] - [ -0.0005854300000000, 0.0001890500000000, -0.0006488700000000 ] - [ 0.0002646700000000, -0.0005189500000000, 0.0028279300000000 ] - [ -0.0125554000000000, 0.0001792700000000, -0.0003826600000000 ] - [ -0.0009376300000000, -0.0003531300000000, -0.0005417100000000 ] - [ 0.0848191900000000, 0.0498909900000000, -0.0274483000000000 ] - [ -0.0003575300000000, -0.0003987800000000, 0.0000142000000000 ] - [ 0.0032908700000000, 0.0010242500000000, -0.0016371700000000 ] - [ -0.0019565400000000, -0.0007270000000000, -0.0004507600000000 ] - [ -0.0007344500000000, 0.0012830300000000, 0.0014100100000000 ] - [ 0.0004721700000000, 0.0000871400000000, -0.0003584900000000 ] - [ -0.0038639000000000, 0.0038077000000000, 0.0010046900000000 ] - [ 0.0021125900000000, 0.0009053400000000, -0.0021054000000000 ] - [ 0.0223850400000000, -0.0124481100000000, 0.0246700700000000 ] - [ -0.0043649600000000, -0.0003310700000000, -0.0018912000000000 ] - [ -0.0001575100000000, -0.0004001600000000, 0.0007497900000000 ] - [ -0.0005426200000000, 0.0002349600000000, -0.0004620900000000 ] - [ 0.0016375400000000, -0.0025516000000000, 0.0026307800000000 ] - [ -0.0030544800000000, -0.0034525600000000, -0.0009096900000000 ] - [ -0.0000767500000000, 0.0001558800000000, 0.0000162000000000 ] - [ -0.0003802500000000, -0.0022042800000000, -0.0006164700000000 ] - [ -0.0000336100000000, 0.0001162700000000, 0.0004016400000000 ] - [ 0.0051073200000000, 0.0009874100000000, -0.0033171400000000 ] - [ 0.0003095100000000, -0.0002501600000000, -0.0001415700000000 ] - [ 0.1143208000000000, -0.0866911100000000, -0.0025820500000000 ] - [ -0.2652252800000000, 0.0436523600000000, 0.0127506000000000 ] - [ 0.0001362100000000, 0.0002366600000000, -0.0001350600000000 ] - [ 0.0020867800000000, -0.0036880800000000, 0.0100158500000000 ] - [ -0.0005333000000000, 0.0010136100000000, 0.0005453300000000 ] - [ 0.0027333300000000, -0.0010051400000000, 0.0012059600000000 ] - [ -0.0003235200000000, 0.0007349600000000, -0.0001633500000000 ] - [ 0.0148887600000000, -0.0004350700000000, 0.0004625600000000 ] - [ -0.0032893400000000, 0.0047902400000000, 0.0012967000000000 ] - [ -0.0007041400000000, -0.0002988600000000, -0.0000027500000000 ] - [ 0.0524894100000000, -0.0000368500000000, 0.0025308900000000 ] - [ 0.0007843200000000, -0.0029761300000000, -0.0050789900000000 ] - [ 0.0008254600000000, 0.0064147300000000, -0.0180847000000000 ] - [ 0.0023484700000000, -0.0002315300000000, -0.0006836300000000 ] - [ -0.0234217000000000, -0.0025147200000000, 0.0028599100000000 ] - [ -0.0001751700000000, -0.0000126200000000, 0.0008459900000000 ] - [ -0.0022878500000000, 0.0010258400000000, 0.0026669300000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0197557400000000, -0.0044354800000000, -0.0002258600000000 ] - [ -0.0001824100000000, -0.0002971800000000, -0.0003484400000000 ] - [ 0.0085952400000000, -0.0000198200000000, 0.0025490700000000 ] - [ -0.0029170800000000, -0.0010372800000000, -0.0013483900000000 ] - [ 0.0004415700000000, 0.0003799200000000, 0.0006345300000000 ] - [ -0.0008312800000000, 0.0007061100000000, -0.0028556000000000 ] - [ 0.0131275400000000, -0.0004052800000000, 0.0004706600000000 ] - [ 0.0007239600000000, -0.0002224700000000, 0.0004719700000000 ] - [ -0.0879083100000000, -0.0528951500000000, 0.0291638300000000 ] - [ 0.0004311700000000, -0.0001057300000000, -0.0001276200000000 ] - [ -0.0027922900000000, -0.0011172100000000, 0.0017624100000000 ] - [ 0.0024577300000000, 0.0008303500000000, 0.0003487900000000 ] - [ 0.0002047400000000, -0.0013389000000000, -0.0015600000000000 ] - [ -0.0003826600000000, 0.0004190900000000, 0.0004715200000000 ] - [ 0.0038383100000000, -0.0043972500000000, -0.0008863800000000 ] - [ -0.0025908700000000, -0.0008219500000000, 0.0022053100000000 ] - [ -0.0214115100000000, 0.0117263700000000, -0.0241420700000000 ] - [ 0.0048994200000000, 0.0008210400000000, 0.0018292000000000 ] - [ -0.0003767500000000, -0.0001219000000000, -0.0007426800000000 ] - [ 0.0000333100000000, 0.0002933600000000, 0.0005169700000000 ] - [ -0.0017998100000000, 0.0027168200000000, -0.0026919700000000 ] - [ 0.0028375200000000, 0.0031907500000000, 0.0008460900000000 ] - [ 0.0002218300000000, 0.0000378600000000, -0.0000893600000000 ] - [ 0.0001421300000000, 0.0020117500000000, 0.0006666000000000 ] - [ 0.0002111200000000, 0.0000246100000000, -0.0003298300000000 ] - [ -0.0049001800000000, -0.0011397000000000, 0.0032704600000000 ] - [ -0.0001272000000000, 0.0000356300000000, 0.0001949600000000 ] - [ -0.1106720200000000, 0.0818464700000000, 0.0024913800000000 ] - [ 0.2643888000000000, -0.0337851100000000, -0.0146386300000000 ] - [ -0.0004215600000000, -0.0001085500000000, -0.0002324500000000 ] - [ -0.0022687900000000, 0.0039660600000000, -0.0096595300000000 ] - [ 0.0004573100000000, -0.0012889300000000, -0.0008993400000000 ] - [ -0.0025701500000000, 0.0012978900000000, -0.0014798300000000 ] - [ 0.0000451000000000, -0.0008649000000000, 0.0005136400000000 ] - [ -0.0146194100000000, 0.0008026900000000, -0.0000936000000000 ] - [ 0.0033373600000000, -0.0050556600000000, -0.0008692900000000 ] - [ 0.0002293400000000, 0.0002895200000000, -0.0000358400000000 ] - [ -0.0520384800000000, -0.0002380800000000, -0.0025357700000000 ] - [ -0.0008196000000000, 0.0024833600000000, 0.0051360800000000 ] - [ -0.0008143200000000, -0.0059325400000000, 0.0179912400000000 ] - [ -0.0023248400000000, -0.0002753200000000, 0.0005065200000000 ] - [ 0.0239323100000000, 0.0025628700000000, -0.0028277800000000 ] - [ -0.0003193300000000, 0.0000249700000000, -0.0007764500000000 ] - [ 0.0022887900000000, -0.0005630900000000, -0.0026445000000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0040040200000000, 0.1472646400000000, 0.0801822600000000 ] - [ -0.0004427500000000, -0.0005545700000000, 0.0003973400000000 ] - [ -0.0008361400000000, -0.0015793200000000, 0.0076920800000000 ] - [ -0.0003220200000000, -0.0052044700000000, -0.0029143900000000 ] - [ -0.0019941700000000, 0.0004427700000000, -0.0005204400000000 ] - [ -0.0000765900000000, -0.0006941600000000, 0.0034616600000000 ] - [ 0.0013523400000000, 0.0058836300000000, -0.0022322200000000 ] - [ 0.0030190200000000, -0.0000018600000000, 0.0065738000000000 ] - [ 0.0570690100000000, 0.0686094400000000, -0.0233705500000000 ] - [ 0.0003476400000000, 0.0003439400000000, 0.0003387700000000 ] - [ -0.0002526100000000, -0.0096171100000000, 0.0031603700000000 ] - [ 0.0002135600000000, -0.0004437200000000, -0.0044693900000000 ] - [ 0.0002900400000000, 0.0031473900000000, 0.0000777200000000 ] - [ 0.0008916700000000, -0.0013140100000000, -0.0031040700000000 ] - [ -0.0023516500000000, -0.0093407200000000, 0.0011066000000000 ] - [ -0.0022430300000000, -0.0013331800000000, 0.0022918900000000 ] - [ -0.0109680300000000, 0.0368874600000000, -0.0498483000000000 ] - [ -0.0025281700000000, 0.0011709000000000, 0.0003072800000000 ] - [ -0.0000471500000000, -0.0006779700000000, -0.0010407600000000 ] - [ -0.0005827900000000, 0.0002765700000000, 0.0029379900000000 ] - [ -0.0042164800000000, 0.0051563400000000, -0.0010198100000000 ] - [ 0.0022938500000000, -0.0107203600000000, 0.0010016600000000 ] - [ 0.0002044500000000, -0.0003994000000000, -0.0000748500000000 ] - [ 0.0016789900000000, -0.0052689100000000, -0.0014526900000000 ] - [ -0.0000998800000000, -0.0014752300000000, -0.0003913300000000 ] - [ 0.0001689300000000, 0.0079542100000000, 0.0039550400000000 ] - [ -0.0002338100000000, 0.0006852800000000, 0.0007764400000000 ] - [ -0.0899097500000000, 0.1012769400000000, 0.0015744600000000 ] - [ 0.0378889600000000, -0.4297181800000000, -0.0111591200000000 ] - [ 0.0000371200000000, -0.0008715700000000, -0.0018808400000000 ] - [ 0.0008330000000000, 0.0023248400000000, -0.0120178000000000 ] - [ 0.0006211400000000, 0.0025101400000000, 0.0024554300000000 ] - [ -0.0006457400000000, -0.0003609500000000, 0.0021202300000000 ] - [ -0.0009427000000000, 0.0027204200000000, 0.0002254700000000 ] - [ 0.0007538800000000, 0.0030475200000000, -0.0035793100000000 ] - [ 0.0063464300000000, -0.0034441800000000, -0.0109197700000000 ] - [ -0.0004145900000000, -0.0014675700000000, -0.0020499100000000 ] - [ -0.0011416700000000, 0.0066584100000000, 0.0070328500000000 ] - [ -0.0005058500000000, 0.0034849900000000, 0.0035945800000000 ] - [ 0.0012102500000000, 0.0051962000000000, -0.0185906200000000 ] - [ -0.0023453600000000, -0.0022402000000000, 0.0010546500000000 ] - [ 0.0018653800000000, 0.0779658900000000, -0.0054104500000000 ] - [ 0.0003751100000000, 0.0001984000000000, -0.0002862000000000 ] - [ 0.0016361400000000, 0.0035213100000000, 0.0240142500000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0031951200000000, -0.1394824500000000, -0.0745888300000000 ] - [ -0.0001268700000000, 0.0003656700000000, -0.0003793700000000 ] - [ 0.0009924200000000, 0.0021424000000000, -0.0076970700000000 ] - [ 0.0005292500000000, 0.0046457400000000, 0.0030035000000000 ] - [ 0.0018109400000000, 0.0001289300000000, 0.0005341200000000 ] - [ -0.0004922600000000, 0.0008579000000000, -0.0034689200000000 ] - [ -0.0007956800000000, -0.0060388300000000, 0.0022209700000000 ] - [ -0.0032136900000000, -0.0005832300000000, -0.0066504500000000 ] - [ -0.0601046100000000, -0.0699749100000000, 0.0246511800000000 ] - [ -0.0002879800000000, -0.0008730600000000, -0.0004775100000000 ] - [ 0.0007741400000000, 0.0095782600000000, -0.0030527000000000 ] - [ 0.0003058500000000, 0.0004837800000000, 0.0043413200000000 ] - [ -0.0008188400000000, -0.0032068700000000, -0.0002124300000000 ] - [ -0.0008291000000000, 0.0018410800000000, 0.0032293900000000 ] - [ 0.0022456300000000, 0.0087806700000000, -0.0009603400000000 ] - [ 0.0017465300000000, 0.0014171100000000, -0.0021888300000000 ] - [ 0.0113818100000000, -0.0376981000000000, 0.0490990300000000 ] - [ 0.0030634100000000, -0.0006048700000000, -0.0003141200000000 ] - [ -0.0004987100000000, 0.0001274700000000, 0.0010029800000000 ] - [ 0.0000387200000000, 0.0002587200000000, -0.0029604800000000 ] - [ 0.0040216800000000, -0.0050252700000000, 0.0009507400000000 ] - [ -0.0024021000000000, 0.0104852700000000, -0.0010680600000000 ] - [ -0.0000548900000000, 0.0006028300000000, 0.0000060200000000 ] - [ -0.0018794700000000, 0.0051131800000000, 0.0015189000000000 ] - [ 0.0002914100000000, 0.0016388800000000, 0.0004601700000000 ] - [ 0.0000317400000000, -0.0081225100000000, -0.0040108100000000 ] - [ 0.0003907400000000, -0.0008886100000000, -0.0007145600000000 ] - [ 0.0945930700000000, -0.1044238600000000, -0.0016341800000000 ] - [ -0.0395513600000000, 0.4278900900000000, 0.0045922600000000 ] - [ -0.0003088500000000, 0.0010066400000000, 0.0015245400000000 ] - [ -0.0009449900000000, -0.0020262500000000, 0.0124084700000000 ] - [ -0.0007986900000000, -0.0027779900000000, -0.0028552700000000 ] - [ 0.0007730700000000, 0.0006330000000000, -0.0024633200000000 ] - [ 0.0006611900000000, -0.0028514100000000, 0.0001276100000000 ] - [ -0.0004838700000000, -0.0029978600000000, 0.0039248700000000 ] - [ -0.0062437200000000, 0.0031853800000000, 0.0113207000000000 ] - [ -0.0000776000000000, 0.0014744700000000, 0.0019962600000000 ] - [ 0.0016547000000000, -0.0066563400000000, -0.0070927900000000 ] - [ 0.0005378200000000, -0.0039829400000000, -0.0035817100000000 ] - [ -0.0012212900000000, -0.0046860700000000, 0.0185328800000000 ] - [ 0.0023516800000000, 0.0017439300000000, -0.0011187900000000 ] - [ -0.0013465400000000, -0.0782731300000000, 0.0056136900000000 ] - [ -0.0008748200000000, -0.0002087200000000, 0.0003548700000000 ] - [ -0.0016447400000000, -0.0030181300000000, -0.0239239400000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009809000000000, 0.0791810300000000, 0.0726797400000000 ] - [ -0.0000895000000000, 0.0001995800000000, -0.0058715000000000 ] - [ 0.0005741000000000, 0.0014814200000000, 0.0031510400000000 ] - [ -0.0001144300000000, 0.0011793700000000, 0.0042565600000000 ] - [ -0.0014299600000000, -0.0004098700000000, -0.0057200600000000 ] - [ 0.0001077800000000, 0.0007626300000000, -0.0064638000000000 ] - [ -0.0007674700000000, 0.0014739900000000, 0.0095218000000000 ] - [ -0.0061557000000000, -0.0008865500000000, -0.0163509200000000 ] - [ -0.0285709000000000, -0.0257916600000000, 0.0388962500000000 ] - [ -0.0002060000000000, -0.0010593900000000, -0.0056746100000000 ] - [ -0.0013876300000000, 0.0002664700000000, 0.0001702900000000 ] - [ -0.0013159400000000, -0.0023650900000000, 0.0031120400000000 ] - [ 0.0018297200000000, -0.0002137300000000, -0.0064889500000000 ] - [ 0.0004249000000000, -0.0002832800000000, -0.0065395400000000 ] - [ -0.0007356700000000, 0.0017351000000000, 0.0075063700000000 ] - [ 0.0063674200000000, 0.0045958300000000, -0.0108400400000000 ] - [ 0.0245022300000000, -0.0484910200000000, 0.1357742800000000 ] - [ -0.0011003600000000, -0.0011244400000000, 0.0042542500000000 ] - [ -0.0003045300000000, -0.0009515200000000, -0.0057718200000000 ] - [ -0.0024650000000000, 0.0008054700000000, -0.0086304600000000 ] - [ 0.0093653500000000, -0.0077998900000000, -0.0075057500000000 ] - [ 0.0033074100000000, 0.0020413400000000, 0.0068570100000000 ] - [ 0.0003855500000000, 0.0005156400000000, -0.0039736900000000 ] - [ 0.0020829100000000, -0.0004216300000000, -0.0023863000000000 ] - [ -0.0005391400000000, 0.0025275900000000, -0.0000337600000000 ] - [ -0.0036806700000000, 0.0048638800000000, -0.0135284400000000 ] - [ -0.0000529000000000, -0.0006818600000000, -0.0056288000000000 ] - [ -0.0031260100000000, -0.0007576900000000, 0.0230085900000000 ] - [ 0.0153221700000000, -0.0115584700000000, -0.2927200300000000 ] - [ -0.0001782900000000, 0.0017715100000000, 0.0118807400000000 ] - [ 0.0122283000000000, -0.0098060000000000, 0.0056825100000000 ] - [ 0.0022244300000000, -0.0014900300000000, 0.0034955100000000 ] - [ -0.0025969300000000, 0.0008718100000000, 0.0034477500000000 ] - [ -0.0004767700000000, -0.0001197100000000, 0.0094526700000000 ] - [ -0.0001339700000000, -0.0036900500000000, -0.0166197800000000 ] - [ -0.0111040700000000, 0.0010552400000000, 0.0518531200000000 ] - [ -0.0002050800000000, 0.0004344400000000, 0.0146133700000000 ] - [ -0.0063831700000000, 0.0037745300000000, -0.0147871200000000 ] - [ -0.0030970400000000, 0.0010117700000000, -0.0014186200000000 ] - [ -0.0099713600000000, -0.0084765300000000, 0.0129494700000000 ] - [ 0.0031172800000000, -0.0004790400000000, 0.0039246000000000 ] - [ 0.0033126000000000, 0.0039189800000000, -0.0267114800000000 ] - [ -0.0007659200000000, -0.0004004400000000, 0.0124316400000000 ] - [ 0.0008213500000000, 0.0127902800000000, 0.0247458600000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003672000000000, -0.0761034200000000, -0.0719830500000000 ] - [ -0.0004743800000000, -0.0003946500000000, 0.0058781500000000 ] - [ -0.0003972300000000, -0.0009072500000000, -0.0031167300000000 ] - [ 0.0003263000000000, -0.0017256600000000, -0.0042588700000000 ] - [ 0.0012094400000000, 0.0009582400000000, 0.0057609100000000 ] - [ -0.0006642200000000, -0.0005313800000000, 0.0064024500000000 ] - [ 0.0013373200000000, -0.0017115400000000, -0.0096304700000000 ] - [ 0.0059027300000000, 0.0002828000000000, 0.0162096100000000 ] - [ 0.0280939000000000, 0.0259481900000000, -0.0392794800000000 ] - [ 0.0002761900000000, 0.0005458200000000, 0.0055289500000000 ] - [ 0.0019014900000000, -0.0002855800000000, 0.0000268600000000 ] - [ 0.0018249800000000, 0.0024522700000000, -0.0032613500000000 ] - [ -0.0023072100000000, 0.0001185800000000, 0.0063579800000000 ] - [ -0.0003210700000000, 0.0007719300000000, 0.0066299300000000 ] - [ 0.0006441100000000, -0.0022334200000000, -0.0074432000000000 ] - [ -0.0068335600000000, -0.0045098300000000, 0.0109023400000000 ] - [ -0.0256449000000000, 0.0516921700000000, -0.1441923900000000 ] - [ 0.0016449000000000, 0.0016473300000000, -0.0041516000000000 ] - [ -0.0002330400000000, 0.0004233800000000, 0.0057593000000000 ] - [ 0.0018935500000000, -0.0002287500000000, 0.0086221600000000 ] - [ -0.0095865200000000, 0.0079645100000000, 0.0074554600000000 ] - [ -0.0034745000000000, -0.0022240100000000, -0.0069474900000000 ] - [ -0.0002427300000000, -0.0003379800000000, 0.0038784600000000 ] - [ -0.0022791100000000, 0.0002568000000000, 0.0024855300000000 ] - [ 0.0007235700000000, -0.0023587700000000, 0.0000740900000000 ] - [ 0.0037977800000000, -0.0049238300000000, 0.0132541200000000 ] - [ 0.0002236100000000, 0.0004745800000000, 0.0056682300000000 ] - [ 0.0021038800000000, 0.0017577500000000, -0.0229114200000000 ] - [ -0.0119880300000000, 0.0040335600000000, 0.3011720400000000 ] - [ -0.0000758400000000, -0.0016424800000000, -0.0122157700000000 ] - [ -0.0121915600000000, 0.0098721600000000, -0.0053897000000000 ] - [ -0.0023605000000000, 0.0012070200000000, -0.0038338900000000 ] - [ 0.0027146800000000, -0.0005765400000000, -0.0038800400000000 ] - [ 0.0002078400000000, -0.0000081400000000, -0.0090670300000000 ] - [ 0.0004070800000000, 0.0038067400000000, 0.0169617500000000 ] - [ 0.0111223900000000, -0.0010901700000000, -0.0518290300000000 ] - [ -0.0002898200000000, -0.0004454500000000, -0.0146343800000000 ] - [ 0.0069091800000000, -0.0037352900000000, 0.0147465300000000 ] - [ 0.0031010200000000, -0.0015386000000000, 0.0015143900000000 ] - [ 0.0098291600000000, 0.0088367600000000, -0.0130330400000000 ] - [ -0.0030850200000000, 0.0000200800000000, -0.0039509900000000 ] - [ -0.0028387000000000, -0.0038865000000000, 0.0267749600000000 ] - [ 0.0002846500000000, 0.0004127400000000, -0.0123722300000000 ] - [ -0.0008246100000000, -0.0120841800000000, -0.0246820300000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006912600000000, -0.0000943000000000, 0.0006168300000000 ] - [ -0.0074527800000000, -0.0005751300000000, -0.0013273900000000 ] - [ -0.0010091500000000, 0.0000518100000000, 0.0001684700000000 ] - [ 0.0004580600000000, -0.0003245400000000, 0.0000202100000000 ] - [ -0.0059883300000000, 0.0008292100000000, -0.0000133700000000 ] - [ 0.0123281800000000, 0.0026380700000000, 0.0008519000000000 ] - [ -0.0000108300000000, -0.0000091600000000, 0.0013284100000000 ] - [ 0.0102544600000000, -0.0005787500000000, 0.0007785400000000 ] - [ 0.0005732400000000, 0.0003212700000000, -0.0002200100000000 ] - [ 0.0137244800000000, 0.0023760500000000, -0.0093856500000000 ] - [ 0.0001969800000000, 0.0004689100000000, 0.0003916200000000 ] - [ 0.0006447300000000, -0.0002473000000000, 0.0006846700000000 ] - [ 0.0082327500000000, 0.0001747000000000, 0.0000708000000000 ] - [ 0.0096606300000000, -0.0073678200000000, -0.0006035300000000 ] - [ -0.0004231700000000, -0.0000227700000000, -0.0001880400000000 ] - [ -0.0035829900000000, -0.0008718600000000, -0.0016967900000000 ] - [ 0.0001789500000000, -0.0002075700000000, -0.0008926600000000 ] - [ -0.0003198500000000, 0.0006965300000000, -0.0008422000000000 ] - [ 0.0045987300000000, 0.0013750400000000, 0.0001021500000000 ] - [ -0.0077496900000000, 0.0018595500000000, 0.0007763600000000 ] - [ -0.0030050700000000, 0.0005411400000000, -0.0009901100000000 ] - [ 0.0001627400000000, 0.0000394300000000, -0.0000842900000000 ] - [ 0.0164118300000000, -0.0024255800000000, 0.0004140000000000 ] - [ 0.0011822100000000, 0.0020418100000000, -0.0002767000000000 ] - [ 0.0005820500000000, 0.0011068600000000, 0.0009156200000000 ] - [ -0.0006219700000000, 0.0014855500000000, 0.0044843500000000 ] - [ 0.0405657000000000, -0.0081573100000000, 0.0019928000000000 ] - [ -0.0003503400000000, 0.0002896600000000, 0.0002242500000000 ] - [ -0.0003411100000000, -0.0002240400000000, -0.0001374800000000 ] - [ 0.0521740700000000, -0.0015132500000000, 0.0064803600000000 ] - [ 0.0036643100000000, -0.0025979700000000, -0.0011400000000000 ] - [ -0.0020348800000000, -0.0001570000000000, -0.0004469600000000 ] - [ 0.0050792200000000, -0.0060627700000000, 0.0084643500000000 ] - [ -0.0238351700000000, -0.0016717600000000, 0.0032109200000000 ] - [ 0.0002069500000000, -0.0005630000000000, 0.0007235400000000 ] - [ 0.0032728600000000, 0.0006517800000000, 0.0126650200000000 ] - [ -0.1591369400000000, 0.0085251700000000, 0.0003989700000000 ] - [ 0.0006829100000000, 0.0001541100000000, -0.0001208500000000 ] - [ 0.0013622100000000, -0.0000310800000000, 0.0003434200000000 ] - [ -0.0047684900000000, 0.0026689100000000, 0.0007072500000000 ] - [ 0.0003204000000000, -0.0026303700000000, -0.0166626700000000 ] - [ -0.0001050200000000, -0.0000327600000000, 0.0000025000000000 ] - [ 0.0343892700000000, 0.0032343900000000, 0.0003378400000000 ] - [ -0.0008633900000000, 0.0048361500000000, -0.0121264200000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001193000000000, 0.0002635200000000, -0.0005949500000000 ] - [ 0.0068798700000000, 0.0004251400000000, 0.0013221800000000 ] - [ 0.0011768000000000, 0.0005066800000000, -0.0001624300000000 ] - [ -0.0002393400000000, -0.0002388800000000, 0.0000047600000000 ] - [ 0.0057817600000000, -0.0002899600000000, 0.0001093500000000 ] - [ -0.0128172100000000, -0.0024808200000000, -0.0008699100000000 ] - [ 0.0005731500000000, -0.0002005200000000, -0.0013974400000000 ] - [ -0.0104488200000000, -0.0000267500000000, -0.0011123600000000 ] - [ -0.0006236000000000, 0.0002072000000000, 0.0000813200000000 ] - [ -0.0157997800000000, -0.0033344900000000, 0.0101262900000000 ] - [ 0.0003457200000000, -0.0005284700000000, -0.0002408400000000 ] - [ -0.0001548400000000, 0.0003188800000000, -0.0008260000000000 ] - [ -0.0087584100000000, -0.0002203400000000, -0.0002953300000000 ] - [ -0.0092126700000000, 0.0081374900000000, 0.0006773300000000 ] - [ 0.0003454400000000, -0.0004787400000000, 0.0002895500000000 ] - [ 0.0030947800000000, 0.0009361200000000, 0.0017545000000000 ] - [ 0.0004168400000000, -0.0003773800000000, 0.0008853700000000 ] - [ 0.0008758400000000, -0.0001101900000000, 0.0008754600000000 ] - [ -0.0051691800000000, -0.0019733200000000, -0.0000844300000000 ] - [ 0.0071825400000000, -0.0012469600000000, -0.0006991900000000 ] - [ 0.0028451900000000, -0.0004043100000000, 0.0008866900000000 ] - [ -0.0003197100000000, -0.0002229300000000, 0.0000192600000000 ] - [ -0.0166924200000000, 0.0031976500000000, -0.0004303100000000 ] - [ -0.0014036700000000, -0.0021985400000000, 0.0003357100000000 ] - [ -0.0004201500000000, -0.0009535600000000, -0.0008740900000000 ] - [ 0.0008452600000000, -0.0016238000000000, -0.0044673200000000 ] - [ -0.0368473200000000, 0.0073036400000000, -0.0016135300000000 ] - [ 0.0001961900000000, -0.0000891600000000, -0.0001584200000000 ] - [ 0.0006089300000000, 0.0000977800000000, -0.0002086900000000 ] - [ -0.0523483100000000, 0.0013000400000000, -0.0068049500000000 ] - [ -0.0038092700000000, 0.0028604300000000, 0.0013888700000000 ] - [ 0.0019370000000000, -0.0001154300000000, 0.0000544300000000 ] - [ -0.0047933400000000, 0.0062896500000000, -0.0088399100000000 ] - [ 0.0235359500000000, 0.0015295600000000, -0.0029613700000000 ] - [ 0.0000637100000000, 0.0006968100000000, -0.0003388800000000 ] - [ -0.0032677400000000, -0.0009320300000000, -0.0122192800000000 ] - [ 0.1570996200000000, -0.0082770900000000, -0.0015176700000000 ] - [ -0.0001996700000000, -0.0001565700000000, 0.0000809600000000 ] - [ -0.0013601400000000, -0.0004549400000000, -0.0002528600000000 ] - [ 0.0047816800000000, -0.0021367200000000, -0.0006273500000000 ] - [ -0.0002620400000000, 0.0021759600000000, 0.0167622100000000 ] - [ 0.0005784400000000, 0.0000419000000000, 0.0000601200000000 ] - [ -0.0348207700000000, -0.0028909600000000, -0.0002915100000000 ] - [ 0.0007229900000000, -0.0043256000000000, 0.0121746500000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003100800000000, 0.0006394300000000, 0.0015968000000000 ] - [ 0.0003643800000000, -0.0038977100000000, -0.0002312400000000 ] - [ -0.0005303700000000, 0.0002892200000000, -0.0008869300000000 ] - [ 0.0006722800000000, -0.0004183700000000, 0.0011920800000000 ] - [ 0.0003816200000000, 0.0013682700000000, 0.0035951800000000 ] - [ 0.0002183400000000, 0.0238812700000000, 0.0113034000000000 ] - [ 0.0002110900000000, 0.0002848100000000, 0.0003647600000000 ] - [ 0.0000180700000000, 0.0065384600000000, 0.0016201900000000 ] - [ 0.0003213500000000, 0.0009811600000000, -0.0018043600000000 ] - [ 0.0073777100000000, 0.0136859100000000, -0.0027301300000000 ] - [ 0.0002027100000000, -0.0021982500000000, -0.0003378500000000 ] - [ 0.0000050300000000, -0.0000315400000000, 0.0005112200000000 ] - [ -0.0018014400000000, 0.0102516200000000, -0.0012238500000000 ] - [ -0.0050717200000000, -0.0069595800000000, 0.0040365900000000 ] - [ 0.0000877200000000, -0.0005293900000000, 0.0000435600000000 ] - [ -0.0007246700000000, 0.0011249900000000, -0.0014022500000000 ] - [ 0.0002953400000000, -0.0001795900000000, -0.0004589700000000 ] - [ 0.0001129900000000, 0.0002882600000000, 0.0012888300000000 ] - [ -0.0008809200000000, -0.0128557900000000, 0.0043972000000000 ] - [ -0.0019780300000000, -0.0014810200000000, -0.0010481300000000 ] - [ -0.0006265000000000, 0.0006344000000000, 0.0004256800000000 ] - [ -0.0001781700000000, -0.0004592100000000, 0.0001063900000000 ] - [ -0.0040845600000000, 0.0104379400000000, 0.0014171800000000 ] - [ -0.0001006700000000, -0.0042859700000000, 0.0015057900000000 ] - [ -0.0009511100000000, -0.0015573400000000, -0.0014223700000000 ] - [ 0.0010139700000000, 0.0031566900000000, -0.0019965500000000 ] - [ -0.0080791200000000, 0.0139738200000000, -0.0016308000000000 ] - [ -0.0000401800000000, 0.0002298400000000, -0.0001818800000000 ] - [ -0.0001331100000000, -0.0015245500000000, 0.0002337900000000 ] - [ -0.0000708600000000, 0.0068582800000000, -0.0039053600000000 ] - [ -0.0005708600000000, 0.0009614600000000, 0.0032848400000000 ] - [ 0.0022506500000000, 0.0021873400000000, -0.0031991800000000 ] - [ -0.0011721800000000, 0.0009384300000000, -0.0100999200000000 ] - [ 0.0023944400000000, 0.0781394100000000, -0.0037326100000000 ] - [ 0.0001661300000000, 0.0002604800000000, -0.0002279600000000 ] - [ 0.0016449100000000, -0.0024706800000000, 0.0009309500000000 ] - [ 0.0084105600000000, -0.1286698500000000, -0.0098432100000000 ] - [ 0.0003776900000000, 0.0000375200000000, 0.0003928200000000 ] - [ -0.0008230300000000, 0.0011342600000000, 0.0003200800000000 ] - [ 0.0014911800000000, 0.0005522200000000, 0.0182892000000000 ] - [ -0.0014653300000000, -0.0050383300000000, -0.0001253100000000 ] - [ 0.0002891800000000, 0.0007473700000000, -0.0001100400000000 ] - [ -0.0033203400000000, -0.0064301100000000, 0.0041737900000000 ] - [ 0.0039857400000000, -0.0005955800000000, -0.0144314200000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002594100000000, -0.0003992900000000, -0.0015038900000000 ] - [ -0.0009455400000000, 0.0036453300000000, 0.0002550800000000 ] - [ 0.0007822400000000, 0.0002670200000000, 0.0008627700000000 ] - [ -0.0004569100000000, -0.0001534100000000, -0.0011846200000000 ] - [ -0.0005756300000000, -0.0007772200000000, -0.0035506200000000 ] - [ -0.0007726800000000, -0.0261270100000000, -0.0123703500000000 ] - [ 0.0003538000000000, -0.0004928900000000, -0.0003636500000000 ] - [ -0.0002725100000000, -0.0071853700000000, -0.0017764300000000 ] - [ -0.0003985500000000, -0.0004846300000000, 0.0017191200000000 ] - [ -0.0073315800000000, -0.0140870000000000, 0.0026269900000000 ] - [ 0.0002758100000000, 0.0021002600000000, 0.0004750500000000 ] - [ 0.0005031900000000, 0.0000766800000000, -0.0006358600000000 ] - [ 0.0013442800000000, -0.0104081000000000, 0.0012538400000000 ] - [ 0.0054331700000000, 0.0082010500000000, -0.0040237800000000 ] - [ -0.0001713600000000, 0.0000304800000000, 0.0000970200000000 ] - [ 0.0002703700000000, -0.0009610600000000, 0.0014988800000000 ] - [ 0.0002630600000000, -0.0003732400000000, 0.0005757000000000 ] - [ 0.0004395300000000, 0.0002654500000000, -0.0012418500000000 ] - [ 0.0003415400000000, 0.0124082100000000, -0.0046145700000000 ] - [ 0.0014779300000000, 0.0019805100000000, 0.0010048700000000 ] - [ 0.0005228500000000, -0.0005763000000000, -0.0004455000000000 ] - [ 0.0000418700000000, 0.0003055200000000, -0.0001266300000000 ] - [ 0.0034409900000000, -0.0087934400000000, -0.0014215200000000 ] - [ -0.0000618700000000, 0.0041733500000000, -0.0014256100000000 ] - [ 0.0011205900000000, 0.0017365800000000, 0.0014251500000000 ] - [ -0.0008828400000000, -0.0032960400000000, 0.0019531500000000 ] - [ 0.0082125100000000, -0.0139895000000000, 0.0016180100000000 ] - [ -0.0000994200000000, -0.0000793000000000, 0.0002626600000000 ] - [ 0.0004159500000000, 0.0014192700000000, -0.0006491600000000 ] - [ -0.0002348600000000, -0.0064661400000000, 0.0036123800000000 ] - [ 0.0004688000000000, -0.0006686100000000, -0.0029156300000000 ] - [ -0.0024514000000000, -0.0024532200000000, 0.0030135800000000 ] - [ 0.0012623000000000, -0.0007271500000000, 0.0097006300000000 ] - [ -0.0026582600000000, -0.0780941200000000, 0.0040738500000000 ] - [ 0.0001036900000000, -0.0001493100000000, 0.0005701600000000 ] - [ -0.0016331900000000, 0.0021383900000000, -0.0007179600000000 ] - [ -0.0083922600000000, 0.1285798200000000, 0.0111781600000000 ] - [ 0.0000745800000000, 0.0000083300000000, -0.0004368200000000 ] - [ 0.0008023300000000, -0.0015811800000000, -0.0002902700000000 ] - [ -0.0015363700000000, -0.0000347900000000, -0.0185052500000000 ] - [ 0.0015631400000000, 0.0045144100000000, -0.0000377300000000 ] - [ 0.0002007600000000, -0.0007830700000000, 0.0001542800000000 ] - [ 0.0028181200000000, 0.0063024800000000, -0.0040951400000000 ] - [ -0.0039175900000000, 0.0009882400000000, 0.0144014900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006507400000000, -0.0009276800000000, -0.0083669700000000 ] - [ 0.0005897200000000, 0.0012905000000000, 0.0050943800000000 ] - [ -0.0013473900000000, -0.0014501900000000, -0.0051877100000000 ] - [ -0.0005060500000000, -0.0004395400000000, -0.0046076900000000 ] - [ -0.0045792100000000, 0.0030675800000000, 0.0057369000000000 ] - [ -0.0005207300000000, 0.0098700700000000, 0.0204191600000000 ] - [ 0.0004929700000000, -0.0014892200000000, -0.0080596900000000 ] - [ 0.0027971900000000, 0.0020059200000000, 0.0462059700000000 ] - [ 0.0006955200000000, 0.0009083500000000, -0.0070449800000000 ] - [ -0.0117033200000000, -0.0033605600000000, 0.0193421600000000 ] - [ 0.0015854900000000, -0.0004142300000000, -0.0036956600000000 ] - [ 0.0012319100000000, 0.0025428000000000, -0.0054450600000000 ] - [ -0.0001918200000000, 0.0014713200000000, 0.0116582400000000 ] - [ 0.0016166500000000, 0.0004841500000000, 0.0162475800000000 ] - [ -0.0002381400000000, 0.0003338200000000, -0.0050635200000000 ] - [ -0.0063963200000000, -0.0046476300000000, 0.0017863800000000 ] - [ -0.0010443400000000, 0.0000974900000000, -0.0151928800000000 ] - [ -0.0023265200000000, 0.0023860300000000, -0.0108088300000000 ] - [ -0.0006668900000000, 0.0051924400000000, 0.0092205000000000 ] - [ -0.0009023900000000, 0.0012345000000000, 0.0090400700000000 ] - [ -0.0041666100000000, 0.0036725700000000, -0.0025732700000000 ] - [ -0.0000473400000000, 0.0002054000000000, -0.0043198900000000 ] - [ -0.0001984000000000, -0.0028905500000000, 0.0139056200000000 ] - [ -0.0003629000000000, 0.0057999900000000, -0.0020910900000000 ] - [ 0.0016300700000000, -0.0040895500000000, -0.0024251700000000 ] - [ 0.0065584900000000, -0.0036782700000000, -0.0047098300000000 ] - [ 0.0103822700000000, -0.0028647500000000, 0.0113755100000000 ] - [ -0.0002471100000000, 0.0009526100000000, -0.0046801000000000 ] - [ 0.0001520100000000, -0.0020884100000000, 0.0144484900000000 ] - [ -0.0027069900000000, -0.0069483700000000, -0.0149514300000000 ] - [ -0.0036379000000000, 0.0052138000000000, -0.0012384600000000 ] - [ 0.0010318700000000, 0.0004704000000000, 0.0037348600000000 ] - [ 0.0185575500000000, -0.0178407500000000, 0.0127634000000000 ] - [ 0.0027064600000000, 0.0053990100000000, -0.0266244700000000 ] - [ -0.0006827300000000, -0.0002546200000000, 0.0125842900000000 ] - [ 0.0241529500000000, 0.0025343300000000, 0.0250190800000000 ] - [ 0.0008707200000000, -0.0104744200000000, -0.1587713300000000 ] - [ 0.0003475100000000, -0.0004064300000000, 0.0113596700000000 ] - [ -0.0003159900000000, -0.0005422000000000, 0.0026880400000000 ] - [ -0.0000513500000000, 0.0168451800000000, 0.0184250400000000 ] - [ -0.0185132700000000, 0.0004208400000000, 0.0185559300000000 ] - [ 0.0002113000000000, 0.0001306100000000, 0.0103466500000000 ] - [ -0.0005688700000000, 0.0041091800000000, -0.0178012600000000 ] - [ -0.0143388300000000, -0.0118315200000000, 0.0137013700000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000745600000000, 0.0010829800000000, 0.0083931800000000 ] - [ -0.0011626500000000, -0.0014851700000000, -0.0050281000000000 ] - [ 0.0015328500000000, 0.0020388600000000, 0.0051737400000000 ] - [ 0.0006646000000000, -0.0001377800000000, 0.0046233500000000 ] - [ 0.0044524800000000, -0.0025124100000000, -0.0057801300000000 ] - [ -0.0000485700000000, -0.0100092700000000, -0.0204453900000000 ] - [ 0.0000843700000000, 0.0013130800000000, 0.0080311800000000 ] - [ -0.0025430900000000, -0.0024138400000000, -0.0428251100000000 ] - [ -0.0007255200000000, -0.0003577400000000, 0.0069217000000000 ] - [ 0.0115959800000000, 0.0027600100000000, -0.0194798400000000 ] - [ -0.0010746400000000, 0.0003601500000000, 0.0038171900000000 ] - [ -0.0006990000000000, -0.0024779500000000, 0.0053081900000000 ] - [ -0.0007900800000000, -0.0013012900000000, -0.0136750400000000 ] - [ -0.0014555000000000, 0.0001211300000000, -0.0161871400000000 ] - [ 0.0001905200000000, -0.0008665000000000, 0.0051927800000000 ] - [ 0.0058252900000000, 0.0046791300000000, -0.0016346800000000 ] - [ 0.0015762200000000, -0.0006408300000000, 0.0152069600000000 ] - [ 0.0028623000000000, -0.0018506000000000, 0.0107974500000000 ] - [ 0.0001260400000000, -0.0056654100000000, -0.0090984600000000 ] - [ 0.0003808700000000, -0.0007098500000000, -0.0091379300000000 ] - [ 0.0039575500000000, -0.0035088700000000, 0.0024959200000000 ] - [ -0.0001135600000000, -0.0004129800000000, 0.0042460700000000 ] - [ 0.0003813300000000, 0.0029642700000000, -0.0139380200000000 ] - [ 0.0001623000000000, -0.0060018900000000, 0.0021651900000000 ] - [ -0.0014046300000000, 0.0042238500000000, 0.0025036200000000 ] - [ -0.0064469500000000, 0.0035767500000000, 0.0046734900000000 ] - [ -0.0103813100000000, 0.0026706300000000, -0.0114010100000000 ] - [ 0.0000843000000000, -0.0007430800000000, 0.0047684200000000 ] - [ 0.0001279000000000, 0.0019521700000000, -0.0147961900000000 ] - [ 0.0023543000000000, 0.0071831800000000, 0.0145790800000000 ] - [ 0.0035429800000000, -0.0049959800000000, 0.0016961800000000 ] - [ -0.0011501700000000, -0.0007387700000000, -0.0041313100000000 ] - [ -0.0185595100000000, 0.0182460600000000, -0.0132198100000000 ] - [ -0.0029960200000000, -0.0056249200000000, 0.0268630600000000 ] - [ 0.0009494400000000, 0.0003881400000000, -0.0122184800000000 ] - [ -0.0237879100000000, -0.0027945300000000, -0.0244158300000000 ] - [ -0.0010210600000000, 0.0105333500000000, 0.1572641300000000 ] - [ 0.0001358500000000, 0.0004099300000000, -0.0113983000000000 ] - [ 0.0003079200000000, 0.0000589900000000, -0.0027016900000000 ] - [ 0.0000375400000000, -0.0165774000000000, -0.0185866700000000 ] - [ 0.0182755000000000, -0.0009059200000000, -0.0184500000000000 ] - [ 0.0002700100000000, -0.0001326800000000, -0.0102948400000000 ] - [ 0.0000714500000000, -0.0041655400000000, 0.0178065400000000 ] - [ 0.0144848300000000, 0.0124685400000000, -0.0136834400000000 ]