# Fileset

[phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/219ccc8f-6181-47b9-90d8-814a7b59b029/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 RbPbIO6 / P6_322 (182) / materials id 616564](https://mdr.nims.go.jp/datasets/63924f18-cc26-4fae-b889-91ce19cd42f2)

## Fulltext

phonopy:  version: 2.17.1  frequency_unit_conversion_factor: 15.633302  symmetry_tolerance: 1.00000e-05  nac_unit_conversion_factor: 14.399652  configuration:    save_params: ".true."physical_unit:  atomic_mass: "AMU"  length: "angstrom"  force_constants: "eV/angstrom^2"space_group:  type: "P6_322"  number: 182  Hall_symbol: "P 6c 2c"supercell_matrix:- [   2,   0,   0 ]- [   0,   2,   0 ]- [   0,   0,   1 ]primitive_cell:  lattice:  - [     5.483978640000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.741989320000000,     4.749264820000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.503274040000001 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800  - symbol: Rb # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800  - symbol: Pb # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 207.200000  - symbol: Pb # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 207.200000  - symbol: I  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 126.904470  - symbol: I  # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 126.904470  - symbol: O  # 7    coordinates: [  0.399937970000000,  0.038564180000000,  0.660255220000000 ]    mass: 15.999400  - symbol: O  # 8    coordinates: [  0.961435820000000,  0.600062030000000,  0.839744780000000 ]    mass: 15.999400  - symbol: O  # 9    coordinates: [  0.399937970000000,  0.361373780000000,  0.839744780000000 ]    mass: 15.999400  - symbol: O  # 10    coordinates: [  0.638626220000000,  0.038564180000000,  0.839744780000000 ]    mass: 15.999400  - symbol: O  # 11    coordinates: [  0.600062030000000,  0.638626220000000,  0.339744780000000 ]    mass: 15.999400  - symbol: O  # 12    coordinates: [  0.961435820000000,  0.361373780000000,  0.660255220000000 ]    mass: 15.999400  - symbol: O  # 13    coordinates: [  0.038564180000000,  0.399937970000000,  0.339744780000000 ]    mass: 15.999400  - symbol: O  # 14    coordinates: [  0.600062030000000,  0.961435820000000,  0.160255220000000 ]    mass: 15.999400  - symbol: O  # 15    coordinates: [  0.638626220000000,  0.600062030000000,  0.660255220000000 ]    mass: 15.999400  - symbol: O  # 16    coordinates: [  0.038564180000000,  0.638626220000000,  0.160255220000000 ]    mass: 15.999400  - symbol: O  # 17    coordinates: [  0.361373780000000,  0.399937970000000,  0.160255220000000 ]    mass: 15.999400  - symbol: O  # 18    coordinates: [  0.361373780000000,  0.961435820000000,  0.339744780000000 ]    mass: 15.999400  reciprocal_lattice: # without 2pi  - [     0.182349360864761,     0.105279452494292,     0.000000000000000 ] # a*  - [     0.000000000000000,     0.210558904988583,     0.000000000000000 ] # b*  - [     0.000000000000000,     0.000000000000000,     0.079979051630864 ] # c*unit_cell:  lattice:  - [     5.483978640000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -2.741989320000000,     4.749264820000000,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.503274040000001 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 2  - symbol: Pb # 3    coordinates: [  0.666666670000000,  0.333333330000000,  0.250000000000000 ]    mass: 207.200000    reduced_to: 3  - symbol: Pb # 4    coordinates: [  0.333333330000000,  0.666666670000000,  0.750000000000000 ]    mass: 207.200000    reduced_to: 4  - symbol: I  # 5    coordinates: [  0.333333330000000,  0.666666670000000,  0.250000000000000 ]    mass: 126.904470    reduced_to: 5  - symbol: I  # 6    coordinates: [  0.666666670000000,  0.333333330000000,  0.750000000000000 ]    mass: 126.904470    reduced_to: 6  - symbol: O  # 7    coordinates: [  0.399937970000000,  0.038564180000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 7  - symbol: O  # 8    coordinates: [  0.961435820000000,  0.600062030000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 8  - symbol: O  # 9    coordinates: [  0.399937970000000,  0.361373780000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 9  - symbol: O  # 10    coordinates: [  0.638626220000000,  0.038564180000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 10  - symbol: O  # 11    coordinates: [  0.600062030000000,  0.638626220000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 11  - symbol: O  # 12    coordinates: [  0.961435820000000,  0.361373780000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 12  - symbol: O  # 13    coordinates: [  0.038564180000000,  0.399937970000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 13  - symbol: O  # 14    coordinates: [  0.600062030000000,  0.961435820000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 14  - symbol: O  # 15    coordinates: [  0.638626220000000,  0.600062030000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 15  - symbol: O  # 16    coordinates: [  0.038564180000000,  0.638626220000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 16  - symbol: O  # 17    coordinates: [  0.361373780000000,  0.399937970000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 17  - symbol: O  # 18    coordinates: [  0.361373780000000,  0.961435820000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 18supercell:  lattice:  - [    10.967957280000000,     0.000000000000000,     0.000000000000000 ] # a  - [    -5.483978640000000,     9.498529639999999,     0.000000000000000 ] # b  - [     0.000000000000000,     0.000000000000000,    12.503274040000001 ] # c  points:  - symbol: Rb # 1    coordinates: [  0.000000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 2    coordinates: [  0.500000000000000,  0.000000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 3    coordinates: [  0.000000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 4    coordinates: [  0.500000000000000,  0.500000000000000,  0.000000000000000 ]    mass: 85.467800    reduced_to: 1  - symbol: Rb # 5    coordinates: [  0.000000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 5  - symbol: Rb # 6    coordinates: [  0.500000000000000,  0.000000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 5  - symbol: Rb # 7    coordinates: [  0.000000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 5  - symbol: Rb # 8    coordinates: [  0.500000000000000,  0.500000000000000,  0.500000000000000 ]    mass: 85.467800    reduced_to: 5  - symbol: Pb # 9    coordinates: [  0.333333335000000,  0.166666665000000,  0.250000000000000 ]    mass: 207.200000    reduced_to: 9  - symbol: Pb # 10    coordinates: [  0.833333335000000,  0.166666665000000,  0.250000000000000 ]    mass: 207.200000    reduced_to: 9  - symbol: Pb # 11    coordinates: [  0.333333335000000,  0.666666665000000,  0.250000000000000 ]    mass: 207.200000    reduced_to: 9  - symbol: Pb # 12    coordinates: [  0.833333335000000,  0.666666665000000,  0.250000000000000 ]    mass: 207.200000    reduced_to: 9  - symbol: Pb # 13    coordinates: [  0.166666665000000,  0.333333335000000,  0.750000000000000 ]    mass: 207.200000    reduced_to: 13  - symbol: Pb # 14    coordinates: [  0.666666665000000,  0.333333335000000,  0.750000000000000 ]    mass: 207.200000    reduced_to: 13  - symbol: Pb # 15    coordinates: [  0.166666665000000,  0.833333335000000,  0.750000000000000 ]    mass: 207.200000    reduced_to: 13  - symbol: Pb # 16    coordinates: [  0.666666665000000,  0.833333335000000,  0.750000000000000 ]    mass: 207.200000    reduced_to: 13  - symbol: I  # 17    coordinates: [  0.166666665000000,  0.333333335000000,  0.250000000000000 ]    mass: 126.904470    reduced_to: 17  - symbol: I  # 18    coordinates: [  0.666666665000000,  0.333333335000000,  0.250000000000000 ]    mass: 126.904470    reduced_to: 17  - symbol: I  # 19    coordinates: [  0.166666665000000,  0.833333335000000,  0.250000000000000 ]    mass: 126.904470    reduced_to: 17  - symbol: I  # 20    coordinates: [  0.666666665000000,  0.833333335000000,  0.250000000000000 ]    mass: 126.904470    reduced_to: 17  - symbol: I  # 21    coordinates: [  0.333333335000000,  0.166666665000000,  0.750000000000000 ]    mass: 126.904470    reduced_to: 21  - symbol: I  # 22    coordinates: [  0.833333335000000,  0.166666665000000,  0.750000000000000 ]    mass: 126.904470    reduced_to: 21  - symbol: I  # 23    coordinates: [  0.333333335000000,  0.666666665000000,  0.750000000000000 ]    mass: 126.904470    reduced_to: 21  - symbol: I  # 24    coordinates: [  0.833333335000000,  0.666666665000000,  0.750000000000000 ]    mass: 126.904470    reduced_to: 21  - symbol: O  # 25    coordinates: [  0.199968985000000,  0.019282090000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 26    coordinates: [  0.699968985000000,  0.019282090000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 27    coordinates: [  0.199968985000000,  0.519282090000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 28    coordinates: [  0.699968985000000,  0.519282090000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 25  - symbol: O  # 29    coordinates: [  0.480717910000000,  0.300031015000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 30    coordinates: [  0.980717910000000,  0.300031015000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 31    coordinates: [  0.480717910000000,  0.800031015000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 32    coordinates: [  0.980717910000000,  0.800031015000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 29  - symbol: O  # 33    coordinates: [  0.199968985000000,  0.180686890000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 34    coordinates: [  0.699968985000000,  0.180686890000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 35    coordinates: [  0.199968985000000,  0.680686890000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 36    coordinates: [  0.699968985000000,  0.680686890000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 33  - symbol: O  # 37    coordinates: [  0.319313110000000,  0.019282090000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 38    coordinates: [  0.819313110000000,  0.019282090000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 39    coordinates: [  0.319313110000000,  0.519282090000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 40    coordinates: [  0.819313110000000,  0.519282090000000,  0.839744780000000 ]    mass: 15.999400    reduced_to: 37  - symbol: O  # 41    coordinates: [  0.300031015000000,  0.319313110000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 42    coordinates: [  0.800031015000000,  0.319313110000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 43    coordinates: [  0.300031015000000,  0.819313110000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 44    coordinates: [  0.800031015000000,  0.819313110000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 41  - symbol: O  # 45    coordinates: [  0.480717910000000,  0.180686890000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 46    coordinates: [  0.980717910000000,  0.180686890000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 47    coordinates: [  0.480717910000000,  0.680686890000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 48    coordinates: [  0.980717910000000,  0.680686890000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 45  - symbol: O  # 49    coordinates: [  0.019282090000000,  0.199968985000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 50    coordinates: [  0.519282090000000,  0.199968985000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 51    coordinates: [  0.019282090000000,  0.699968985000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 52    coordinates: [  0.519282090000000,  0.699968985000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 49  - symbol: O  # 53    coordinates: [  0.300031015000000,  0.480717910000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 54    coordinates: [  0.800031015000000,  0.480717910000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 55    coordinates: [  0.300031015000000,  0.980717910000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 56    coordinates: [  0.800031015000000,  0.980717910000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 53  - symbol: O  # 57    coordinates: [  0.319313110000000,  0.300031015000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 58    coordinates: [  0.819313110000000,  0.300031015000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 59    coordinates: [  0.319313110000000,  0.800031015000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 60    coordinates: [  0.819313110000000,  0.800031015000000,  0.660255220000000 ]    mass: 15.999400    reduced_to: 57  - symbol: O  # 61    coordinates: [  0.019282090000000,  0.319313110000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 62    coordinates: [  0.519282090000000,  0.319313110000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 63    coordinates: [  0.019282090000000,  0.819313110000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 64    coordinates: [  0.519282090000000,  0.819313110000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 61  - symbol: O  # 65    coordinates: [  0.180686890000000,  0.199968985000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 66    coordinates: [  0.680686890000000,  0.199968985000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 67    coordinates: [  0.180686890000000,  0.699968985000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 68    coordinates: [  0.680686890000000,  0.699968985000000,  0.160255220000000 ]    mass: 15.999400    reduced_to: 65  - symbol: O  # 69    coordinates: [  0.180686890000000,  0.480717910000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 70    coordinates: [  0.680686890000000,  0.480717910000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 71    coordinates: [  0.180686890000000,  0.980717910000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 69  - symbol: O  # 72    coordinates: [  0.680686890000000,  0.980717910000000,  0.339744780000000 ]    mass: 15.999400    reduced_to: 69born_effective_charge:- # 1 (Rb)  - [  1.134086200000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  1.134086200000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.727128860000000 ]- # 2 (Rb)  - [  1.134086200000000,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  1.134086200000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.727128860000000 ]- # 3 (Pb)  - [  4.735207450000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  4.735207450000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.754295360000000 ]- # 4 (Pb)  - [  4.735207450000000,  0.000000000000001,  0.000000000000000 ]  - [ -0.000000000000000,  4.735207450000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  1.754295360000000 ]- # 5 (I)  - [  6.112521720000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  6.112521720000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.311959100000000 ]- # 6 (I)  - [  6.112521720000001,  0.000000000000000,  0.000000000000000 ]  - [ -0.000000000000000,  6.112521720000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.311959100000000 ]- # 7 (O)  - [ -1.318594640000000, -0.135810150000000, -0.082008020000000 ]  - [ -0.280696720000000, -2.675343810000000, -0.366869910000000 ]  - [ -0.234182780000000, -0.105505060000000, -0.965563890000000 ]- # 8 (O)  - [ -2.155803752312465, -0.764059627230269, -0.276714652208277 ]  - [ -0.619173055733881, -1.838134697687535, -0.254455983575012 ]  - [  0.025721327888168, -0.255560766777487, -0.965563890000000 ]- # 9 (O)  - [ -2.516509282687535,  0.410919621530116,  0.358722672208277 ]  - [  0.555806191072638, -1.477429167312466, -0.112413926424988 ]  - [  0.208461452111832,  0.150055706777487, -0.965563890000000 ]- # 10 (O)  - [ -1.318594640000000,  0.135810150000000, -0.082008020000000 ]  - [  0.280696720000000, -2.675343810000000,  0.366869910000000 ]  - [ -0.234182780000000,  0.105505060000000, -0.965563890000000 ]- # 11 (O)  - [ -2.516509282687535,  0.410919621530116, -0.358722672208277 ]  - [  0.555806191072638, -1.477429167312466,  0.112413926424988 ]  - [ -0.208461452111832, -0.150055706777487, -0.965563890000000 ]- # 12 (O)  - [ -2.516509282687535, -0.410919621530116,  0.358722672208277 ]  - [ -0.555806191072638, -1.477429167312466,  0.112413926424988 ]  - [  0.208461452111832, -0.150055706777487, -0.965563890000000 ]- # 13 (O)  - [ -2.155803752312465, -0.764059627230269,  0.276714652208277 ]  - [ -0.619173055733881, -1.838134697687535,  0.254455983575012 ]  - [ -0.025721327888168,  0.255560766777487, -0.965563890000000 ]- # 14 (O)  - [ -1.318594640000000, -0.135810150000000,  0.082008020000000 ]  - [ -0.280696720000000, -2.675343810000000,  0.366869910000000 ]  - [  0.234182780000000,  0.105505060000000, -0.965563890000000 ]- # 15 (O)  - [ -2.155803752312465,  0.764059627230269, -0.276714652208277 ]  - [  0.619173055733881, -1.838134697687535,  0.254455983575012 ]  - [  0.025721327888168,  0.255560766777487, -0.965563890000000 ]- # 16 (O)  - [ -2.516509282687535, -0.410919621530116, -0.358722672208277 ]  - [ -0.555806191072638, -1.477429167312466, -0.112413926424988 ]  - [ -0.208461452111832,  0.150055706777487, -0.965563890000000 ]- # 17 (O)  - [ -2.155803752312465,  0.764059627230269,  0.276714652208277 ]  - [  0.619173055733881, -1.838134697687535, -0.254455983575012 ]  - [ -0.025721327888168, -0.255560766777487, -0.965563890000000 ]- # 18 (O)  - [ -1.318594640000000,  0.135810150000000,  0.082008020000000 ]  - [  0.280696720000000, -2.675343810000000, -0.366869910000000 ]  - [  0.234182780000000, -0.105505060000000, -0.965563890000000 ]dielectric_constant:  - [  3.947767320000000,  0.000000000000000,  0.000000000000000 ]  - [  0.000000000000000,  3.947767320000000,  0.000000000000000 ]  - [  0.000000000000000,  0.000000000000000,  2.508901910000000 ]displacements:- atom:    1  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0158104000000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0015995700000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0001970600000000, -0.0008102300000000, -0.0000655300000000 ]  - [   0.0001970600000000,  0.0008102300000000,  0.0000655300000000 ]  - [  -0.0003763500000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0003507800000000,  0.0000000000000000,  0.0000000000000000 ]  - [   0.0000213700000000, -0.0001902200000000,  0.0000585300000000 ]  - [   0.0000213700000000,  0.0001902200000000, -0.0000585300000000 ]  - [   0.0012148300000000,  0.0019522900000000,  0.0021882900000000 ]  - [   0.0011440600000000, -0.0026691400000000, -0.0024571500000000 ]  - [   0.0014841200000000,  0.0001580400000000, -0.0000003900000000 ]  - [  -0.0028121500000000, -0.0002932100000000,  0.0002826300000000 ]  - [  -0.0028121500000000,  0.0002932100000000, -0.0002826300000000 ]  - [   0.0014841200000000, -0.0001580400000000,  0.0000003900000000 ]  - [   0.0012148300000000, -0.0019522900000000, -0.0021882900000000 ]  - [   0.0011440600000000,  0.0026691400000000,  0.0024571500000000 ]  - [  -0.0031909300000000,  0.0008446000000000,  0.0003585500000000 ]  - [   0.0013323900000000, -0.0004104900000000,  0.0000012700000000 ]  - [   0.0016882600000000, -0.0023399000000000,  0.0027778200000000 ]  - [   0.0019992600000000,  0.0034966300000000, -0.0031187000000000 ]  - [   0.0016882600000000,  0.0023399000000000, -0.0027778200000000 ]  - [   0.0019992600000000, -0.0034966300000000,  0.0031187000000000 ]  - [   0.0013323900000000,  0.0004104900000000, -0.0000012700000000 ]  - [  -0.0031909300000000, -0.0008446000000000, -0.0003585500000000 ]  - [   0.0000367500000000,  0.0000507700000000,  0.0007291700000000 ]  - [  -0.0007359600000000,  0.0001571300000000, -0.0012145900000000 ]  - [   0.0000033100000000,  0.0003713400000000,  0.0000185100000000 ]  - [   0.0001383500000000, -0.0004366100000000, -0.0000980800000000 ]  - [  -0.0007869000000000, -0.0006092400000000,  0.0001350200000000 ]  - [   0.0004577800000000,  0.0012353300000000, -0.0007472900000000 ]  - [  -0.0009437000000000, -0.0007094300000000, -0.0003284500000000 ]  - [   0.0019950500000000, -0.0003914400000000, -0.0006998500000000 ]  - [   0.0022335700000000,  0.0008026700000000, -0.0014484400000000 ]  - [  -0.0013969000000000,  0.0008621200000000, -0.0001058000000000 ]  - [  -0.0007376900000000,  0.0002585300000000,  0.0002805700000000 ]  - [   0.0010725400000000, -0.0007877600000000, -0.0009284200000000 ]  - [  -0.0009457600000000, -0.0004168600000000,  0.0017291900000000 ]  - [   0.0031009400000000, -0.0000878500000000,  0.0020853600000000 ]  - [   0.0000383200000000, -0.0005133300000000,  0.0000955500000000 ]  - [   0.0002216800000000,  0.0005423700000000,  0.0000182600000000 ]  - [   0.0002006100000000, -0.0003494400000000, -0.0003987000000000 ]  - [  -0.0001815000000000,  0.0001532100000000,  0.0000368400000000 ]  - [  -0.0007416200000000,  0.0004061900000000, -0.0004227200000000 ]  - [   0.0011082500000000, -0.0006777500000000,  0.0007627300000000 ]  - [  -0.0007416200000000, -0.0004061900000000,  0.0004227200000000 ]  - [   0.0011082500000000,  0.0006777500000000, -0.0007627300000000 ]  - [  -0.0001815000000000, -0.0001532100000000, -0.0000368400000000 ]  - [   0.0002006100000000,  0.0003494400000000,  0.0003987000000000 ]  - [   0.0010384400000000,  0.0004767900000000,  0.0000069100000000 ]  - [  -0.0006151600000000, -0.0003581800000000,  0.0000252500000000 ]  - [  -0.0001738900000000,  0.0004644100000000, -0.0007652600000000 ]  - [  -0.0003465700000000, -0.0004303700000000,  0.0003641000000000 ]  - [   0.0002216800000000, -0.0005423700000000, -0.0000182600000000 ]  - [   0.0000383200000000,  0.0005133300000000, -0.0000955500000000 ]  - [  -0.0009457600000000,  0.0004168600000000, -0.0017291900000000 ]  - [   0.0031009400000000,  0.0000878500000000, -0.0020853600000000 ]  - [  -0.0001738900000000, -0.0004644100000000,  0.0007652600000000 ]  - [  -0.0003465700000000,  0.0004303700000000, -0.0003641000000000 ]  - [  -0.0006151600000000,  0.0003581800000000, -0.0000252500000000 ]  - [   0.0010384400000000, -0.0004767900000000, -0.0000069100000000 ]  - [   0.0010725400000000,  0.0007877600000000,  0.0009284200000000 ]  - [  -0.0007376900000000, -0.0002585300000000, -0.0002805700000000 ]  - [   0.0022335700000000, -0.0008026700000000,  0.0014484400000000 ]  - [  -0.0013969000000000, -0.0008621200000000,  0.0001058000000000 ]  - [   0.0019950500000000,  0.0003914400000000,  0.0006998500000000 ]  - [  -0.0009437000000000,  0.0007094300000000,  0.0003284500000000 ]  - [  -0.0007869000000000,  0.0006092400000000, -0.0001350200000000 ]  - [   0.0004577800000000, -0.0012353300000000,  0.0007472900000000 ]  - [   0.0001383500000000,  0.0004366100000000,  0.0000980800000000 ]  - [   0.0000033100000000, -0.0003713400000000, -0.0000185100000000 ]  - [   0.0000367500000000, -0.0000507700000000, -0.0007291700000000 ]  - [  -0.0007359600000000, -0.0001571300000000,  0.0012145900000000 ]- atom:    1  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0161052000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0016023000000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0001998200000000,  0.0008104800000000,  0.0000668200000000 ]  - [  -0.0001998200000000, -0.0008104800000000, -0.0000668200000000 ]  - [   0.0003762200000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0003518700000000,  0.0000000000000000,  0.0000000000000000 ]  - [  -0.0000231100000000,  0.0001911800000000, -0.0000594200000000 ]  - [  -0.0000231100000000, -0.0001911800000000,  0.0000594200000000 ]  - [  -0.0012253900000000, -0.0019372600000000, -0.0021768600000000 ]  - [  -0.0011432900000000,  0.0026836800000000,  0.0024792800000000 ]  - [  -0.0014861800000000, -0.0001634000000000,  0.0000002800000000 ]  - [   0.0028224200000000,  0.0003025600000000, -0.0002896900000000 ]  - [   0.0028224200000000, -0.0003025600000000,  0.0002896900000000 ]  - [  -0.0014861800000000,  0.0001634000000000, -0.0000002800000000 ]  - [  -0.0012253900000000,  0.0019372600000000,  0.0021768600000000 ]  - [  -0.0011432900000000, -0.0026836800000000, -0.0024792800000000 ]  - [   0.0032013100000000, -0.0008614800000000, -0.0003666200000000 ]  - [  -0.0013226300000000,  0.0004189200000000, -0.0000000200000000 ]  - [  -0.0017123100000000,  0.0023147900000000, -0.0027614200000000 ]  - [  -0.0020113300000000, -0.0035030400000000,  0.0031453900000000 ]  - [  -0.0017123100000000, -0.0023147900000000,  0.0027614200000000 ]  - [  -0.0020113300000000,  0.0035030400000000, -0.0031453900000000 ]  - [  -0.0013226300000000, -0.0004189200000000,  0.0000000200000000 ]  - [   0.0032013100000000,  0.0008614800000000,  0.0003666200000000 ]  - [  -0.0000646100000000, -0.0001337300000000, -0.0007797000000000 ]  - [   0.0007040100000000, -0.0002320000000000,  0.0011629100000000 ]  - [  -0.0000477600000000, -0.0004500300000000, -0.0000747800000000 ]  - [  -0.0001640600000000,  0.0003610300000000,  0.0000604800000000 ]  - [   0.0008435000000000,  0.0006752000000000, -0.0000828000000000 ]  - [  -0.0004181700000000, -0.0011867900000000,  0.0007822600000000 ]  - [   0.0009907100000000,  0.0007925700000000,  0.0003979800000000 ]  - [  -0.0019523300000000,  0.0004396100000000,  0.0007312200000000 ]  - [  -0.0022926900000000, -0.0007522600000000,  0.0014391500000000 ]  - [   0.0013193300000000, -0.0008488000000000,  0.0001513400000000 ]  - [   0.0006604400000000, -0.0002375000000000, -0.0002535600000000 ]  - [  -0.0011546600000000,  0.0008012900000000,  0.0009692700000000 ]  - [   0.0009761400000000,  0.0003343200000000, -0.0016637100000000 ]  - [  -0.0031903500000000,  0.0000377000000000, -0.0021741600000000 ]  - [  -0.0000030800000000,  0.0004296600000000, -0.0000291400000000 ]  - [  -0.0001934400000000, -0.0006279500000000,  0.0000274100000000 ]  - [  -0.0001155200000000,  0.0003438400000000,  0.0004556900000000 ]  - [   0.0002741400000000, -0.0001580300000000,  0.0000385900000000 ]  - [   0.0008247500000000, -0.0004152100000000,  0.0004695100000000 ]  - [  -0.0010419500000000,  0.0006609900000000, -0.0007367900000000 ]  - [   0.0008247500000000,  0.0004152100000000, -0.0004695100000000 ]  - [  -0.0010419500000000, -0.0006609900000000,  0.0007367900000000 ]  - [   0.0002741400000000,  0.0001580300000000, -0.0000385900000000 ]  - [  -0.0001155200000000, -0.0003438400000000, -0.0004556900000000 ]  - [  -0.0010936200000000, -0.0005433900000000,  0.0000449900000000 ]  - [   0.0005561900000000,  0.0003040800000000, -0.0000037200000000 ]  - [   0.0001242700000000, -0.0005369500000000,  0.0008292900000000 ]  - [   0.0002954500000000,  0.0003682800000000, -0.0003256200000000 ]  - [  -0.0001934400000000,  0.0006279500000000, -0.0000274100000000 ]  - [  -0.0000030800000000, -0.0004296600000000,  0.0000291400000000 ]  - [   0.0009761400000000, -0.0003343200000000,  0.0016637100000000 ]  - [  -0.0031903500000000, -0.0000377000000000,  0.0021741600000000 ]  - [   0.0001242700000000,  0.0005369500000000, -0.0008292900000000 ]  - [   0.0002954500000000, -0.0003682800000000,  0.0003256200000000 ]  - [   0.0005561900000000, -0.0003040800000000,  0.0000037200000000 ]  - [  -0.0010936200000000,  0.0005433900000000, -0.0000449900000000 ]  - [  -0.0011546600000000, -0.0008012900000000, -0.0009692700000000 ]  - [   0.0006604400000000,  0.0002375000000000,  0.0002535600000000 ]  - [  -0.0022926900000000,  0.0007522600000000, -0.0014391500000000 ]  - [   0.0013193300000000,  0.0008488000000000, -0.0001513400000000 ]  - [  -0.0019523300000000, -0.0004396100000000, -0.0007312200000000 ]  - [   0.0009907100000000, -0.0007925700000000, -0.0003979800000000 ]  - [   0.0008435000000000, -0.0006752000000000,  0.0000828000000000 ]  - [  -0.0004181700000000,  0.0011867900000000, -0.0007822600000000 ]  - [  -0.0001640600000000, -0.0003610300000000, -0.0000604800000000 ]  - [  -0.0000477600000000,  0.0004500300000000,  0.0000747800000000 ]  - [  -0.0000646100000000,  0.0001337300000000,  0.0007797000000000 ]  - [   0.0007040100000000,  0.0002320000000000, -0.0011629100000000 ]- atom:    1  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0000000000000000,  0.0000000000000000, -0.0291468300000000 ]  - [  -0.0000000400000000,  0.0000754500000000, -0.0017738200000000 ]  - [  -0.0000653200000000, -0.0000377600000000, -0.0017738200000000 ]  - [   0.0000653600000000, -0.0000376900000000, -0.0017738200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021039900000000 ]  - [   0.0000002000000000,  0.0000675200000000,  0.0015555300000000 ]  - [  -0.0000585700000000, -0.0000335900000000,  0.0015555300000000 ]  - [   0.0000583800000000, -0.0000339300000000,  0.0015555300000000 ]  - [   0.0032728900000000,  0.0011808100000000,  0.0020807400000000 ]  - [  -0.0026590600000000,  0.0022440000000000,  0.0020807400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006051400000000 ]  - [  -0.0006138300000000, -0.0034248100000000,  0.0020807400000000 ]  - [   0.0006156200000000, -0.0034044900000000,  0.0020772700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006081100000000 ]  - [  -0.0032561800000000,  0.0011691100000000,  0.0020772700000000 ]  - [   0.0026405700000000,  0.0022353900000000,  0.0020772700000000 ]  - [  -0.0009607600000000,  0.0042867000000000,  0.0029603200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007401500000000 ]  - [   0.0041927700000000, -0.0013113100000000,  0.0029603200000000 ]  - [  -0.0032320100000000, -0.0029754000000000,  0.0029603200000000 ]  - [  -0.0041726700000000, -0.0012905900000000,  0.0029552200000000 ]  - [   0.0032040200000000, -0.0029683500000000,  0.0029552200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007423600000000 ]  - [   0.0009686600000000,  0.0042589400000000,  0.0029552200000000 ]  - [   0.0005277000000000, -0.0001437400000000, -0.0010689700000000 ]  - [  -0.0008783900000000,  0.0000242400000000, -0.0014630200000000 ]  - [  -0.0000827900000000,  0.0001381500000000, -0.0003500600000000 ]  - [  -0.0001566300000000, -0.0004243800000000, -0.0006027600000000 ]  - [   0.0008919400000000,  0.0006019300000000,  0.0002264100000000 ]  - [  -0.0006222300000000,  0.0011114100000000, -0.0002901400000000 ]  - [  -0.0004596000000000, -0.0001990500000000,  0.0001008300000000 ]  - [  -0.0009171300000000,  0.0018596900000000,  0.0025084100000000 ]  - [  -0.0011519700000000, -0.0017241100000000,  0.0025084100000000 ]  - [  -0.0009672500000000,  0.0004714800000000,  0.0002264100000000 ]  - [   0.0004021900000000, -0.0002985000000000,  0.0001008300000000 ]  - [  -0.0006513900000000, -0.0010945800000000, -0.0002901400000000 ]  - [   0.0012736300000000, -0.0000168400000000, -0.0002901400000000 ]  - [   0.0020691100000000, -0.0001355800000000,  0.0025084100000000 ]  - [   0.0000574200000000,  0.0004975500000000,  0.0001008300000000 ]  - [   0.0000753100000000, -0.0010734100000000,  0.0002264100000000 ]  - [  -0.0003443200000000, -0.0007866600000000, -0.0014279300000000 ]  - [   0.0001508600000000, -0.0001547300000000, -0.0003226400000000 ]  - [  -0.0003747000000000,  0.0000631400000000, -0.0005753900000000 ]  - [   0.0002175000000000,  0.0005208600000000, -0.0010400700000000 ]  - [   0.0004458400000000,  0.0000765500000000, -0.0006027600000000 ]  - [  -0.0001393700000000,  0.0005288700000000, -0.0010689700000000 ]  - [  -0.0000782500000000, -0.0001407700000000, -0.0003500600000000 ]  - [   0.0004182000000000, -0.0007728300000000, -0.0014630200000000 ]  - [   0.0003423300000000, -0.0004487900000000, -0.0010400700000000 ]  - [  -0.0002094300000000, -0.0000532900000000, -0.0003226400000000 ]  - [  -0.0005091100000000,  0.0006915200000000, -0.0014279300000000 ]  - [   0.0002420300000000,  0.0002929300000000, -0.0005753900000000 ]  - [  -0.0000517600000000, -0.0010020500000000,  0.0002001800000000 ]  - [  -0.0000332700000000,  0.0005666100000000,  0.0000747000000000 ]  - [  -0.0012541300000000,  0.0000513900000000, -0.0003117000000000 ]  - [  -0.0021862500000000, -0.0000897700000000,  0.0026026000000000 ]  - [   0.0004601900000000,  0.0007485900000000, -0.0014630200000000 ]  - [  -0.0002892100000000,  0.0003478400000000, -0.0006027600000000 ]  - [   0.0001610400000000,  0.0000026200000000, -0.0003500600000000 ]  - [  -0.0003883300000000, -0.0003851300000000, -0.0010689700000000 ]  - [   0.0005825600000000, -0.0011118000000000, -0.0003117000000000 ]  - [  -0.0004740600000000, -0.0003121200000000,  0.0000747000000000 ]  - [   0.0011708700000000, -0.0018484700000000,  0.0026026000000000 ]  - [   0.0008936800000000,  0.0004562000000000,  0.0002001800000000 ]  - [   0.0010153800000000,  0.0019382300000000,  0.0026026000000000 ]  - [   0.0005073400000000, -0.0002544900000000,  0.0000747000000000 ]  - [  -0.0008419200000000,  0.0005458500000000,  0.0002001800000000 ]  - [   0.0006715700000000,  0.0010604100000000, -0.0003117000000000 ]  - [   0.0001326700000000, -0.0003560600000000, -0.0005753900000000 ]  - [   0.0000585700000000,  0.0002080200000000, -0.0003226400000000 ]  - [  -0.0005598300000000, -0.0000720700000000, -0.0010400700000000 ]  - [   0.0008534300000000,  0.0000951400000000, -0.0014279300000000 ]- atom:    9  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0012238300000000,  0.0026272500000000,  0.0032572900000000 ]  - [   0.0011415300000000, -0.0019962300000000, -0.0026560600000000 ]  - [   0.0014837100000000, -0.0001569200000000,  0.0000003200000000 ]  - [  -0.0028174000000000,  0.0003856100000000, -0.0006118500000000 ]  - [   0.0011474900000000,  0.0019855400000000, -0.0026432300000000 ]  - [   0.0012214500000000, -0.0026360100000000,  0.0032713800000000 ]  - [   0.0014848900000000,  0.0001632700000000, -0.0000005100000000 ]  - [  -0.0028212100000000, -0.0003903200000000, -0.0006174800000000 ]  - [  -0.2370942300000000, -0.0018348500000000, -0.0000216900000000 ]  - [   0.0222036800000000, -0.0000095900000000,  0.0023027200000000 ]  - [   0.0023580300000000, -0.0114350800000000, -0.0011474200000000 ]  - [   0.0023916300000000,  0.0114597800000000, -0.0011562300000000 ]  - [   0.0002390200000000, -0.0004530000000000,  0.0000519000000000 ]  - [   0.0002359400000000,  0.0004547900000000,  0.0000554000000000 ]  - [  -0.0005497800000000,  0.0000003400000000, -0.0001059700000000 ]  - [   0.0004150500000000, -0.0000027900000000, -0.0000012900000000 ]  - [   0.0674458600000000, -0.0476963900000000, -0.0063613000000000 ]  - [   0.0680941600000000,  0.0484009300000000, -0.0064502700000000 ]  - [  -0.0154508200000000,  0.0001315200000000,  0.0128124000000000 ]  - [  -0.0026522100000000, -0.0000207500000000,  0.0000003400000000 ]  - [  -0.0031903700000000, -0.0000006700000000,  0.0000000300000000 ]  - [   0.0022662700000000,  0.0000011200000000,  0.0000794100000000 ]  - [   0.0001277700000000, -0.0012334100000000, -0.0000395000000000 ]  - [   0.0001302800000000,  0.0012338700000000, -0.0000400000000000 ]  - [   0.0006340700000000, -0.0001973100000000,  0.0002725300000000 ]  - [  -0.0006285600000000,  0.0000268000000000, -0.0003636200000000 ]  - [  -0.0000772100000000,  0.0003719800000000,  0.0002752700000000 ]  - [   0.0000855200000000, -0.0004660500000000, -0.0001664900000000 ]  - [   0.0008596500000000,  0.0002009500000000,  0.0004354200000000 ]  - [  -0.0006443200000000, -0.0000671400000000, -0.0002391700000000 ]  - [  -0.0000509100000000,  0.0004047300000000,  0.0002601200000000 ]  - [   0.0001089500000000, -0.0004102600000000, -0.0002607700000000 ]  - [   0.0007105400000000,  0.0000116000000000, -0.0006926300000000 ]  - [  -0.0006946200000000,  0.0000142700000000,  0.0004379500000000 ]  - [  -0.0001322100000000,  0.0002794500000000, -0.0000238800000000 ]  - [  -0.0000023800000000, -0.0003047700000000,  0.0001146400000000 ]  - [   0.0006586400000000,  0.0001292300000000,  0.0002963500000000 ]  - [  -0.0006041200000000, -0.0000957500000000, -0.0003364000000000 ]  - [   0.0001102200000000,  0.0003948600000000, -0.0001392500000000 ]  - [  -0.0000528200000000, -0.0004432300000000,  0.0003013600000000 ]  - [   0.0212901300000000, -0.0162302100000000, -0.0123037700000000 ]  - [  -0.0129047100000000, -0.0008013400000000, -0.0021754200000000 ]  - [   0.0017662000000000,  0.0016594900000000, -0.0012327100000000 ]  - [   0.0010275200000000, -0.0018693200000000, -0.0000743200000000 ]  - [   0.0007868000000000,  0.0000033900000000, -0.0007220900000000 ]  - [  -0.0006236300000000, -0.0000009900000000,  0.0004121600000000 ]  - [   0.0000684000000000,  0.0003197800000000,  0.0000910300000000 ]  - [  -0.0000611000000000, -0.0002662600000000, -0.0000478300000000 ]  - [  -0.0132200700000000, -0.0020363400000000,  0.0039712300000000 ]  - [   0.0419129800000000,  0.0004281400000000,  0.0288026500000000 ]  - [  -0.0033187200000000, -0.0047608100000000,  0.0002823700000000 ]  - [   0.0026016400000000,  0.0026279100000000, -0.0003707000000000 ]  - [  -0.0025722200000000,  0.0131039600000000, -0.0027252800000000 ]  - [  -0.0046996900000000, -0.0055867300000000,  0.0019153400000000 ]  - [   0.0165201300000000, -0.0084946600000000, -0.0154359700000000 ]  - [  -0.0020892000000000, -0.0017584600000000,  0.0004560500000000 ]  - [   0.0008100000000000, -0.0001445000000000,  0.0004117600000000 ]  - [  -0.0006927900000000,  0.0001210500000000, -0.0002639300000000 ]  - [   0.0000617600000000,  0.0004671500000000, -0.0002872600000000 ]  - [  -0.0000995800000000, -0.0003485800000000,  0.0002351500000000 ]  - [  -0.0129878700000000,  0.0007851800000000, -0.0021943000000000 ]  - [   0.0216687900000000,  0.0169859600000000, -0.0128251300000000 ]  - [   0.0016476500000000, -0.0016820600000000, -0.0012804300000000 ]  - [   0.0009676700000000,  0.0018694900000000, -0.0001006400000000 ]  - [   0.0395749100000000,  0.0000181600000000,  0.0271341100000000 ]  - [  -0.0132345900000000,  0.0019345600000000,  0.0039414800000000 ]  - [  -0.0032578400000000,  0.0046693700000000,  0.0002508000000000 ]  - [   0.0026441400000000, -0.0026782500000000, -0.0003961100000000 ]  - [  -0.0047432600000000,  0.0056326400000000,  0.0019220200000000 ]  - [  -0.0026154500000000, -0.0130759600000000, -0.0026733100000000 ]  - [   0.0165797000000000,  0.0084408300000000, -0.0153518900000000 ]  - [  -0.0021227100000000,  0.0018400000000000,  0.0004851000000000 ]- atom:    9  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0021716200000000,  0.0015856100000000,  0.0020814700000000 ]  - [  -0.0024589900000000,  0.0010878700000000,  0.0020814700000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006132400000000 ]  - [   0.0002873700000000, -0.0026734800000000,  0.0020814700000000 ]  - [  -0.0024775300000000, -0.0011010300000000,  0.0020772600000000 ]  - [   0.0021922800000000, -0.0015950900000000,  0.0020772600000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0006030900000000 ]  - [   0.0002852500000000,  0.0026961200000000,  0.0020772600000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.1318871600000000 ]  - [   0.0023041200000000,  0.0000023600000000, -0.0056896700000000 ]  - [  -0.0011541000000000,  0.0019942500000000, -0.0056896700000000 ]  - [  -0.0011500200000000, -0.0019966100000000, -0.0056896700000000 ]  - [  -0.0000614500000000, -0.0000866500000000,  0.0018368200000000 ]  - [  -0.0000443200000000,  0.0000965400000000,  0.0018368200000000 ]  - [   0.0001057700000000, -0.0000098900000000,  0.0018368200000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0011346700000000 ]  - [  -0.0104541500000000, -0.0182330600000000, -0.0418482700000000 ]  - [  -0.0105632100000000,  0.0181700900000000, -0.0418482700000000 ]  - [   0.0210173700000000,  0.0000629600000000, -0.0418482700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044990500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044219700000000 ]  - [  -0.0001130600000000, -0.0000002200000000,  0.0016540000000000 ]  - [   0.0000567200000000, -0.0000978100000000,  0.0016540000000000 ]  - [   0.0000563400000000,  0.0000980200000000,  0.0016540000000000 ]  - [  -0.0003049300000000,  0.0000887300000000, -0.0017853700000000 ]  - [  -0.0002340400000000, -0.0001208600000000, -0.0007038300000000 ]  - [  -0.0001085700000000, -0.0002045000000000, -0.0006486700000000 ]  - [  -0.0002458100000000, -0.0001601500000000, -0.0007245400000000 ]  - [   0.0002708800000000, -0.0001670600000000, -0.0017552700000000 ]  - [  -0.0000746800000000, -0.0001389200000000, -0.0006253300000000 ]  - [   0.0000564400000000, -0.0002077300000000, -0.0006797900000000 ]  - [   0.0000338300000000, -0.0002320900000000, -0.0006992100000000 ]  - [   0.0000092400000000,  0.0003181200000000, -0.0017552700000000 ]  - [   0.0001840800000000,  0.0001453400000000, -0.0006992100000000 ]  - [   0.0001576500000000,  0.0000047900000000, -0.0006253300000000 ]  - [   0.0001516800000000,  0.0001527500000000, -0.0006797900000000 ]  - [  -0.0002801200000000, -0.0001510600000000, -0.0017552700000000 ]  - [  -0.0002081300000000,  0.0000549800000000, -0.0006797900000000 ]  - [  -0.0002179100000000,  0.0000867500000000, -0.0006992100000000 ]  - [  -0.0000829700000000,  0.0001341400000000, -0.0006253300000000 ]  - [  -0.0036038300000000,  0.0218212900000000,  0.0365162400000000 ]  - [  -0.0054944000000000, -0.0015669500000000,  0.0025158700000000 ]  - [  -0.0022842000000000,  0.0013407500000000,  0.0052116200000000 ]  - [   0.0007817400000000, -0.0000776900000000,  0.0012836900000000 ]  - [   0.0000756200000000, -0.0003084400000000, -0.0017853700000000 ]  - [   0.0002615900000000, -0.0001328000000000, -0.0007245400000000 ]  - [   0.0002216900000000, -0.0001422500000000, -0.0007038300000000 ]  - [   0.0002313900000000,  0.0000082200000000, -0.0006486700000000 ]  - [   0.0023032200000000,  0.0013078000000000,  0.0052116200000000 ]  - [   0.0206997100000000, -0.0077896400000000,  0.0365162400000000 ]  - [   0.0013901800000000,  0.0055417600000000,  0.0025158700000000 ]  - [  -0.0004581500000000, -0.0006381700000000,  0.0012836900000000 ]  - [   0.0000161900000000,  0.0027391100000000,  0.0051686600000000 ]  - [   0.0041414200000000,  0.0040513100000000,  0.0024934500000000 ]  - [  -0.0167787100000000,  0.0133944600000000,  0.0362683000000000 ]  - [  -0.0002975400000000, -0.0006510600000000,  0.0012569700000000 ]  - [   0.0002293000000000,  0.0002197100000000, -0.0017853700000000 ]  - [  -0.0001228200000000,  0.0001962800000000, -0.0006486700000000 ]  - [  -0.0000157900000000,  0.0002929500000000, -0.0007245400000000 ]  - [   0.0000123500000000,  0.0002631100000000, -0.0007038300000000 ]  - [  -0.0055792500000000,  0.0015609200000000,  0.0024934500000000 ]  - [  -0.0032105900000000, -0.0212280200000000,  0.0362683000000000 ]  - [  -0.0023802300000000, -0.0013555300000000,  0.0051686600000000 ]  - [   0.0007126000000000,  0.0000678500000000,  0.0012569700000000 ]  - [   0.0199893000000000,  0.0078335600000000,  0.0362683000000000 ]  - [   0.0023640400000000, -0.0013835800000000,  0.0051686600000000 ]  - [   0.0014378300000000, -0.0056122300000000,  0.0024934500000000 ]  - [  -0.0004150600000000,  0.0005832000000000,  0.0012569700000000 ]  - [   0.0041042200000000, -0.0039748200000000,  0.0025158700000000 ]  - [  -0.0000190300000000, -0.0026485500000000,  0.0052116200000000 ]  - [  -0.0170958800000000, -0.0140316600000000,  0.0365162400000000 ]  - [  -0.0003235900000000,  0.0007158600000000,  0.0012836900000000 ]- atom:   17  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0031957900000000, -0.0005042600000000, -0.0009649800000000 ]  - [   0.0013324000000000,  0.0004088300000000,  0.0000025500000000 ]  - [   0.0016935700000000, -0.0036695100000000,  0.0041682300000000 ]  - [   0.0020066000000000,  0.0021611700000000, -0.0032310000000000 ]  - [  -0.0031991700000000,  0.0004950000000000, -0.0009645200000000 ]  - [   0.0013326200000000, -0.0004183200000000, -0.0000025100000000 ]  - [   0.0020028700000000, -0.0021429400000000, -0.0032053300000000 ]  - [   0.0017065100000000,  0.0036882300000000,  0.0041972900000000 ]  - [   0.0681532100000000, -0.0484500600000000, -0.0105389000000000 ]  - [   0.0673725800000000,  0.0476397900000000, -0.0104774300000000 ]  - [  -0.0154513000000000,  0.0000054600000000,  0.0210162600000000 ]  - [  -0.0026531700000000,  0.0000388200000000,  0.0000009300000000 ]  - [  -0.0031865400000000,  0.0000008400000000, -0.0000009300000000 ]  - [   0.0022714600000000, -0.0000032800000000,  0.0001153300000000 ]  - [   0.0001312800000000, -0.0012347900000000, -0.0000564600000000 ]  - [   0.0001299500000000,  0.0012351200000000, -0.0000573800000000 ]  - [  -0.4915836500000000,  0.0019063900000000, -0.0000633500000000 ]  - [   0.0345647300000000,  0.0000083300000000,  0.0031698800000000 ]  - [   0.0074616700000000, -0.0156929500000000, -0.0016061800000000 ]  - [   0.0073748600000000,  0.0156535000000000, -0.0015640600000000 ]  - [   0.0007285000000000, -0.0010560700000000,  0.0001886300000000 ]  - [   0.0007282000000000,  0.0010471600000000,  0.0001874800000000 ]  - [  -0.0010935200000000,  0.0000041700000000, -0.0003759400000000 ]  - [   0.0006127900000000,  0.0000058500000000, -0.0000002700000000 ]  - [   0.0001229300000000,  0.0006480300000000, -0.0000161500000000 ]  - [  -0.0001616400000000, -0.0004220100000000,  0.0001285800000000 ]  - [   0.0006832500000000,  0.0002153000000000,  0.0005665100000000 ]  - [  -0.0007448200000000, -0.0003071600000000, -0.0005842800000000 ]  - [  -0.0005844400000000,  0.0000410400000000,  0.0002528100000000 ]  - [   0.0003240900000000, -0.0001984500000000, -0.0008723200000000 ]  - [   0.0000257000000000, -0.0002658700000000, -0.0000021300000000 ]  - [  -0.0000022300000000,  0.0004652300000000,  0.0002610100000000 ]  - [   0.0004814800000000,  0.0001122000000000,  0.0003217900000000 ]  - [  -0.0007009000000000, -0.0000743100000000, -0.0001150000000000 ]  - [   0.0003253000000000,  0.0003149700000000, -0.0002207500000000 ]  - [  -0.0002683700000000, -0.0002492900000000,  0.0003311700000000 ]  - [  -0.0001389100000000,  0.0003542400000000,  0.0001544600000000 ]  - [   0.0001472800000000, -0.0007167100000000,  0.0000100400000000 ]  - [   0.0007067600000000, -0.0002883200000000,  0.0005932900000000 ]  - [  -0.0007165900000000,  0.0002312500000000, -0.0005513000000000 ]  - [   0.0950419300000000,  0.0012252000000000,  0.0535419700000000 ]  - [  -0.0160154400000000,  0.0018964300000000,  0.0002135000000000 ]  - [  -0.0072901300000000,  0.0062980200000000, -0.0010826500000000 ]  - [   0.0027225300000000, -0.0029373600000000,  0.0007594500000000 ]  - [  -0.0006278100000000,  0.0000931600000000, -0.0001408700000000 ]  - [   0.0005544200000000, -0.0000948800000000,  0.0002948700000000 ]  - [   0.0004003100000000, -0.0003019400000000, -0.0002476400000000 ]  - [  -0.0001963800000000,  0.0002601800000000,  0.0003044400000000 ]  - [   0.0608668000000000,  0.0302970700000000, -0.0210913700000000 ]  - [  -0.0141956900000000, -0.0036884500000000,  0.0014587700000000 ]  - [   0.0001114100000000,  0.0041977000000000, -0.0003863300000000 ]  - [   0.0011428600000000, -0.0027761400000000, -0.0012630000000000 ]  - [   0.0512969500000000,  0.0111504100000000, -0.0298887900000000 ]  - [  -0.0047802500000000,  0.0015548800000000, -0.0003519100000000 ]  - [  -0.0021071200000000,  0.0047074300000000, -0.0003610300000000 ]  - [  -0.0034286400000000, -0.0144108500000000,  0.0010729300000000 ]  - [   0.0002738200000000,  0.0002574200000000, -0.0009037100000000 ]  - [  -0.0006338700000000,  0.0000186900000000,  0.0002242300000000 ]  - [  -0.0000244900000000,  0.0003209400000000, -0.0000265200000000 ]  - [  -0.0000523000000000, -0.0004122900000000,  0.0002374000000000 ]  - [   0.0898510400000000, -0.0016359400000000,  0.0492633300000000 ]  - [  -0.0161198600000000, -0.0018551200000000,  0.0001424700000000 ]  - [   0.0026260000000000,  0.0029205500000000,  0.0007349400000000 ]  - [  -0.0073115300000000, -0.0062718200000000, -0.0011096400000000 ]  - [   0.0613921500000000, -0.0315925200000000, -0.0223278600000000 ]  - [  -0.0142071100000000,  0.0036635900000000,  0.0014263200000000 ]  - [   0.0010897400000000,  0.0027493300000000, -0.0013121200000000 ]  - [   0.0001851800000000, -0.0042831800000000, -0.0004290500000000 ]  - [   0.0511410800000000, -0.0106580900000000, -0.0294329900000000 ]  - [  -0.0048157500000000, -0.0015085600000000, -0.0003275600000000 ]  - [  -0.0034879100000000,  0.0144647100000000,  0.0011446100000000 ]  - [  -0.0021414600000000, -0.0046351300000000, -0.0003312600000000 ]- atom:   17  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0003618300000000,  0.0033776100000000,  0.0029545500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007568500000000 ]  - [   0.0027441800000000, -0.0020021600000000,  0.0029545500000000 ]  - [  -0.0031060100000000, -0.0013754500000000,  0.0029545500000000 ]  - [   0.0003625200000000, -0.0034388400000000,  0.0029615400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0007238200000000 ]  - [  -0.0031593800000000,  0.0014054700000000,  0.0029615400000000 ]  - [   0.0027968600000000,  0.0020333700000000,  0.0029615400000000 ]  - [  -0.0062405900000000, -0.0111901600000000, -0.0418492700000000 ]  - [  -0.0065706700000000,  0.0109995900000000, -0.0418492700000000 ]  - [   0.0128112600000000,  0.0001905700000000, -0.0418492700000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.0044982500000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0044228800000000 ]  - [  -0.0000795300000000,  0.0000000200000000,  0.0016564900000000 ]  - [   0.0000397400000000, -0.0000688800000000,  0.0016564900000000 ]  - [   0.0000397800000000,  0.0000688600000000,  0.0016564900000000 ]  - [   0.0000000000000000,  0.0000000000000000, -0.3846536000000000 ]  - [   0.0031702400000000, -0.0000298100000000, -0.0141640000000000 ]  - [  -0.0015593100000000,  0.0027604100000000, -0.0141640000000000 ]  - [  -0.0016109300000000, -0.0027306000000000, -0.0141640000000000 ]  - [  -0.0001651800000000, -0.0003392300000000,  0.0032765400000000 ]  - [  -0.0002111900000000,  0.0003126600000000,  0.0032765400000000 ]  - [   0.0003763700000000,  0.0000265700000000,  0.0032765400000000 ]  - [   0.0000000000000000,  0.0000000000000000,  0.0021909200000000 ]  - [  -0.0003207000000000, -0.0000433300000000, -0.0011272300000000 ]  - [  -0.0000788300000000,  0.0000501400000000, -0.0009039400000000 ]  - [  -0.0004625200000000, -0.0006092200000000, -0.0020403300000000 ]  - [  -0.0003379100000000, -0.0001494900000000, -0.0009698900000000 ]  - [   0.0001590600000000, -0.0002430100000000, -0.0011039600000000 ]  - [  -0.0002310400000000, -0.0006405100000000, -0.0020021000000000 ]  - [   0.0001311000000000,  0.0000027200000000, -0.0008856300000000 ]  - [   0.0000888500000000, -0.0003085600000000, -0.0009452200000000 ]  - [   0.0006702200000000,  0.0001201700000000, -0.0020021000000000 ]  - [  -0.0000679100000000,  0.0001121700000000, -0.0008856300000000 ]  - [   0.0001309300000000,  0.0002592500000000, -0.0011039600000000 ]  - [   0.0002228000000000,  0.0002312300000000, -0.0009452200000000 ]  - [  -0.0000631900000000, -0.0001148900000000, -0.0008856300000000 ]  - [  -0.0002899800000000, -0.0000162400000000, -0.0011039600000000 ]  - [  -0.0004391800000000,  0.0005203400000000, -0.0020021000000000 ]  - [  -0.0003116500000000,  0.0000773300000000, -0.0009452200000000 ]  - [   0.0403569100000000,  0.0128531000000000,  0.0811188100000000 ]  - [   0.0008160000000000, -0.0009903800000000,  0.0057649400000000 ]  - [   0.0064971300000000, -0.0058890800000000,  0.0030706200000000 ]  - [  -0.0006868900000000,  0.0008888500000000,  0.0019440900000000 ]  - [  -0.0000040000000000, -0.0000933400000000, -0.0009039400000000 ]  - [   0.0007588600000000, -0.0000959500000000, -0.0020403300000000 ]  - [   0.0001978800000000, -0.0002560700000000, -0.0011272300000000 ]  - [   0.0002984200000000, -0.0002179000000000, -0.0009698900000000 ]  - [  -0.0090473500000000, -0.0413766600000000,  0.0811188100000000 ]  - [  -0.0083486500000000, -0.0026821400000000,  0.0030706200000000 ]  - [   0.0011132100000000,  0.0001504400000000,  0.0019440900000000 ]  - [  -0.0012656900000000, -0.0002114800000000,  0.0057649400000000 ]  - [  -0.0302427600000000, -0.0263981200000000,  0.0796151100000000 ]  - [  -0.0003863700000000,  0.0011325500000000,  0.0019109800000000 ]  - [   0.0018736800000000, -0.0085424000000000,  0.0030388900000000 ]  - [   0.0005128400000000, -0.0012238100000000,  0.0056981300000000 ]  - [  -0.0002963400000000,  0.0007051600000000, -0.0020403300000000 ]  - [   0.0001228300000000,  0.0002994000000000, -0.0011272300000000 ]  - [   0.0000828300000000,  0.0000432000000000, -0.0009039400000000 ]  - [   0.0000394900000000,  0.0003673900000000, -0.0009698900000000 ]  - [   0.0379828200000000, -0.0129919300000000,  0.0796151100000000 ]  - [   0.0008034300000000,  0.0010560400000000,  0.0056981300000000 ]  - [  -0.0007876300000000, -0.0009008800000000,  0.0019109800000000 ]  - [   0.0064611000000000,  0.0058938500000000,  0.0030388900000000 ]  - [  -0.0077400700000000,  0.0393900600000000,  0.0796151100000000 ]  - [  -0.0083347800000000,  0.0026485500000000,  0.0030388900000000 ]  - [  -0.0013162700000000,  0.0001677700000000,  0.0056981300000000 ]  - [   0.0011740000000000, -0.0002316700000000,  0.0019109800000000 ]  - [  -0.0313095600000000,  0.0285235600000000,  0.0811188100000000 ]  - [  -0.0004263200000000, -0.0010392900000000,  0.0019440900000000 ]  - [   0.0004497000000000,  0.0012018600000000,  0.0057649400000000 ]  - [   0.0018515300000000,  0.0085712200000000,  0.0030706200000000 ]- atom:   25  displacement:    [   0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [   0.0000461800000000, -0.0000822400000000,  0.0005429700000000 ]  - [  -0.0007208000000000,  0.0001652600000000, -0.0008656300000000 ]  - [   0.0000178500000000,  0.0000236400000000, -0.0000725300000000 ]  - [   0.0001535500000000, -0.0001265700000000, -0.0001451900000000 ]  - [   0.0030969000000000,  0.0002553900000000,  0.0020587800000000 ]  - [  -0.0009597500000000,  0.0004039900000000,  0.0012667200000000 ]  - [   0.0000248400000000, -0.0001680300000000,  0.0000471200000000 ]  - [   0.0002102700000000, -0.0000474300000000,  0.0000633900000000 ]  - [   0.0006465500000000,  0.0000632500000000, -0.0002906200000000 ]  - [  -0.0006173200000000,  0.0000637900000000, -0.0002210800000000 ]  - [  -0.0000659000000000,  0.0002561700000000, -0.0000966900000000 ]  - [   0.0000987400000000, -0.0004291200000000, -0.0002304200000000 ]  - [  -0.0026144000000000,  0.0041579500000000, -0.0000038800000000 ]  - [  -0.0047152300000000, -0.0055398900000000, -0.0041395900000000 ]  - [   0.0164312900000000, -0.0138421700000000,  0.0169571200000000 ]  - [  -0.0020986100000000, -0.0000758200000000,  0.0003089900000000 ]  - [   0.0001358900000000,  0.0004396000000000, -0.0003034700000000 ]  - [  -0.0001500000000000, -0.0003798000000000, -0.0000711800000000 ]  - [   0.0006948700000000,  0.0000008800000000, -0.0004492000000000 ]  - [  -0.0007280000000000,  0.0000326400000000, -0.0003226800000000 ]  - [   0.0511331900000000,  0.0255431700000000,  0.0309905100000000 ]  - [  -0.0048047100000000,  0.0013868700000000,  0.0004019200000000 ]  - [  -0.0021284200000000,  0.0032971100000000, -0.0018564500000000 ]  - [  -0.0034586500000000, -0.0054054000000000, -0.0004889100000000 ]  - [  -0.0756684900000000, -0.0205364100000000, -0.0636882900000000 ]  - [   0.0008329100000000, -0.0003812300000000, -0.0000693700000000 ]  - [   0.0001873100000000, -0.0012368700000000, -0.0001033000000000 ]  - [   0.0008024500000000,  0.0030823100000000,  0.0005584100000000 ]  - [  -0.0009342800000000,  0.0032890200000000,  0.0033308400000000 ]  - [   0.0010054200000000, -0.0000367600000000, -0.0001031500000000 ]  - [   0.0006400000000000, -0.0002464200000000,  0.0002095900000000 ]  - [   0.0005362200000000,  0.0031369100000000, -0.0018835200000000 ]  - [  -0.0022847300000000, -0.0066531600000000, -0.0069509000000000 ]  - [   0.0018437000000000, -0.0002806400000000,  0.0002487800000000 ]  - [   0.0005451500000000, -0.0010743300000000,  0.0004754000000000 ]  - [   0.0004655200000000,  0.0005158200000000, -0.0001738400000000 ]  - [   0.0013522000000000,  0.0018442600000000,  0.0166135100000000 ]  - [   0.0009493300000000, -0.0002443000000000, -0.0001013500000000 ]  - [   0.0003690500000000, -0.0009957500000000,  0.0002410100000000 ]  - [   0.0003671300000000,  0.0012093900000000, -0.0001789200000000 ]  - [  -0.0000834200000000, -0.0001038900000000,  0.0001248700000000 ]  - [   0.0001855000000000,  0.0000293200000000,  0.0000290600000000 ]  - [  -0.0001363900000000, -0.0000722200000000, -0.0000653300000000 ]  - [   0.0003715900000000,  0.0002965400000000,  0.0004944200000000 ]  - [   0.0120508100000000,  0.0159415200000000,  0.0050890400000000 ]  - [   0.0024599700000000, -0.0009558400000000, -0.0006489100000000 ]  - [   0.0011444400000000, -0.0002972300000000, -0.0000080900000000 ]  - [   0.0014332900000000,  0.0032507800000000, -0.0002918700000000 ]  - [   0.0000769900000000, -0.0003834800000000,  0.0004114400000000 ]  - [  -0.0000911500000000,  0.0000719700000000, -0.0001512100000000 ]  - [  -0.0001630200000000,  0.0000309400000000,  0.0001852100000000 ]  - [   0.0001584400000000, -0.0000237700000000,  0.0000385300000000 ]  - [  -0.0000079000000000, -0.0000739200000000,  0.0000573800000000 ]  - [   0.0000294800000000,  0.0001608400000000, -0.0000050100000000 ]  - [  -0.0002657000000000, -0.0000595500000000,  0.0004429000000000 ]  - [   0.0001797400000000,  0.0000114000000000,  0.0000297200000000 ]  - [  -0.0033228500000000, -0.0069983600000000, -0.0001031200000000 ]  - [   0.0027462900000000, -0.0006228600000000,  0.0003322500000000 ]  - [   0.0013593900000000, -0.0032243600000000,  0.0014312100000000 ]  - [   0.0014098200000000,  0.0015617300000000, -0.0002465500000000 ]  - [   0.0000783200000000, -0.0000993600000000,  0.0001616500000000 ]  - [  -0.0000729800000000,  0.0000807800000000,  0.0000497300000000 ]  - [  -0.0001929900000000, -0.0000121300000000,  0.0000540300000000 ]  - [   0.0001294300000000, -0.0000880400000000,  0.0001682500000000 ]  - [  -0.0001002400000000, -0.0000419600000000,  0.0000358000000000 ]  - [   0.0001450900000000,  0.0000600200000000,  0.0001111100000000 ]  - [  -0.0000572500000000, -0.0000901100000000,  0.0000703600000000 ]  - [   0.0001404600000000,  0.0000814400000000,  0.0001766900000000 ]  - [  -0.0000121300000000, -0.0001568100000000,  0.0000233400000000 ]  - [  -0.0000124700000000,  0.0002589000000000,  0.0000412800000000 ]  - [  -0.0004864400000000,  0.0000864000000000,  0.0004639000000000 ]  - [   0.0002686500000000, -0.0000037900000000, -0.0000069800000000 ]- atom:   25  displacement:    [  -0.0100000000000000,  0.0000000000000000,  0.0000000000000000 ]  forces:  - [  -0.0000483700000000,  0.0000790100000000, -0.0005416800000000 ]  - [   0.0007231800000000, -0.0001657200000000,  0.0008689800000000 ]  - [  -0.0000186600000000, -0.0000231200000000,  0.0000721000000000 ]  - [  -0.0001520600000000,  0.0001281000000000,  0.0001477200000000 ]  - [  -0.0032023000000000, -0.0002752400000000, -0.0021996600000000 ]  - [   0.0009597700000000, -0.0004024100000000, -0.0012641400000000 ]  - [  -0.0000264300000000,  0.0001675700000000, -0.0000468700000000 ]  - [  -0.0002069700000000,  0.0000498300000000, -0.0000663600000000 ]  - [  -0.0006496800000000, -0.0000627400000000,  0.0002944800000000 ]  - [   0.0006170600000000, -0.0000638900000000,  0.0002212800000000 ]  - [   0.0000639500000000, -0.0002544400000000,  0.0000945400000000 ]  - [  -0.0001006500000000,  0.0004331000000000,  0.0002344000000000 ]  - [   0.0025721300000000, -0.0041501500000000, -0.0000065000000000 ]  - [   0.0047273000000000,  0.0055461400000000,  0.0041082500000000 ]  - [  -0.0166711000000000,  0.0136741700000000, -0.0169163900000000 ]  - [   0.0021145000000000,  0.0000794000000000, -0.0003121600000000 ]  - [  -0.0001356500000000, -0.0004424000000000,  0.0003074700000000 ]  - [   0.0001525000000000,  0.0003808100000000,  0.0000697700000000 ]  - [  -0.0006981200000000, -0.0000015900000000,  0.0004524900000000 ]  - [   0.0007342800000000, -0.0000324000000000,  0.0003253600000000 ]  - [  -0.0513063300000000, -0.0248930200000000, -0.0305492400000000 ]  - [   0.0047924200000000, -0.0013834700000000, -0.0004093600000000 ]  - [   0.0021239000000000, -0.0032996200000000,  0.0018692000000000 ]  - [   0.0034577400000000,  0.0054035200000000,  0.0004731200000000 ]  - [   0.0760174500000000,  0.0198497100000000,  0.0630910700000000 ]  - [  -0.0008560200000000,  0.0003072200000000,  0.0000441200000000 ]  - [  -0.0002087000000000,  0.0011634000000000,  0.0000779700000000 ]  - [  -0.0008314100000000, -0.0031386400000000, -0.0005865300000000 ]  - [   0.0009311300000000, -0.0032833800000000, -0.0033198300000000 ]  - [  -0.0009476800000000,  0.0000946900000000,  0.0001321500000000 ]  - [  -0.0005936100000000,  0.0002994700000000, -0.0001870800000000 ]  - [  -0.0004970400000000, -0.0030952800000000,  0.0019373900000000 ]  - [   0.0022059700000000,  0.0066643400000000,  0.0070244900000000 ]  - [  -0.0019091700000000,  0.0002903000000000, -0.0002183600000000 ]  - [  -0.0006182300000000,  0.0011003400000000, -0.0004647500000000 ]  - [  -0.0005402500000000, -0.0005003500000000,  0.0002006200000000 ]  - [  -0.0013615800000000, -0.0019245700000000, -0.0163708200000000 ]  - [  -0.0009257100000000,  0.0001770300000000,  0.0001278000000000 ]  - [  -0.0003426200000000,  0.0009189700000000, -0.0002180800000000 ]  - [  -0.0003442700000000, -0.0012893800000000,  0.0002090700000000 ]  - [   0.0001555900000000,  0.0000893800000000, -0.0001016900000000 ]  - [  -0.0001137800000000, -0.0000441300000000, -0.0000053700000000 ]  - [   0.0002134800000000,  0.0000573400000000,  0.0000917100000000 ]  - [  -0.0003021000000000, -0.0003129200000000, -0.0004733400000000 ]  - [  -0.0117367100000000, -0.0156637400000000, -0.0050913500000000 ]  - [  -0.0023857100000000,  0.0009778700000000,  0.0006262100000000 ]  - [  -0.0010823900000000,  0.0003105000000000, -0.0000143800000000 ]  - [  -0.0013641200000000, -0.0032651400000000,  0.0002673800000000 ]  - [  -0.0001258700000000,  0.0003284300000000, -0.0003885800000000 ]  - [   0.0000400200000000, -0.0001307000000000,  0.0001784100000000 ]  - [   0.0001149200000000, -0.0000873700000000, -0.0001627700000000 ]  - [  -0.0002099300000000, -0.0000339900000000, -0.0000130100000000 ]  - [   0.0000329800000000,  0.0001460100000000, -0.0000829500000000 ]  - [  -0.0000068100000000, -0.0000911300000000, -0.0000202500000000 ]  - [   0.0002928000000000,  0.0001312200000000, -0.0004706900000000 ]  - [  -0.0001565500000000,  0.0000590000000000, -0.0000549000000000 ]  - [   0.0032803700000000,  0.0070582100000000,  0.0000557600000000 ]  - [  -0.0027735200000000,  0.0006707400000000, -0.0003542900000000 ]  - [  -0.0013980000000000,  0.0032692500000000, -0.0014575900000000 ]  - [  -0.0014640100000000, -0.0015097100000000,  0.0002244700000000 ]  - [  -0.0001485100000000,  0.0000860500000000, -0.0001877100000000 ]  - [  -0.0000005900000000, -0.0000953800000000, -0.0000777400000000 ]  - [   0.0001236900000000, -0.0000010400000000, -0.0000798400000000 ]  - [  -0.0002019100000000,  0.0000737300000000, -0.0001947500000000 ]  - [   0.0001492500000000, -0.0000142800000000, -0.0000628800000000 ]  - [  -0.0000980400000000, -0.0001152900000000, -0.0001353600000000 ]  - [   0.0001092400000000,  0.0000315400000000, -0.0000968100000000 ]  - [  -0.0000931100000000, -0.0001368400000000, -0.0002018800000000 ]  - [  -0.0000117200000000,  0.0002263700000000,  0.0000037200000000 ]  - [  -0.0000124100000000, -0.0001919700000000, -0.0000165400000000 ]  - [   0.0004642000000000, -0.0000174400000000, -0.0004405900000000 ]  - [  -0.0002914400000000,  0.0000700700000000,  0.0000315500000000 ]- atom:   25  displacement:    [  -0.0049999999968821,  0.0086602540396445,  0.0000000000000000 ]  forces:  - [   0.0000521500000000,  0.0012590100000000, -0.0003654500000000 ]  - [   0.0005328100000000,  0.0001304000000000,  0.0004888300000000 ]  - [   0.0003419200000000, -0.0004828200000000,  0.0001834900000000 ]  - [  -0.0004236200000000, -0.0006149000000000, -0.0002642900000000 ]  - [  -0.0015148100000000,  0.0013889300000000, -0.0009687000000000 ]  - [   0.0008090000000000,  0.0009623900000000, -0.0006468400000000 ]  - [   0.0004007500000000, -0.0008824000000000, -0.0004801200000000 ]  - [  -0.0006099400000000, -0.0012886200000000,  0.0008678300000000 ]  - [  -0.0004668300000000,  0.0006986600000000,  0.0002501600000000 ]  - [   0.0003621500000000,  0.0001233500000000,  0.0000337900000000 ]  - [   0.0003843700000000, -0.0005498700000000, -0.0000986400000000 ]  - [  -0.0004209500000000, -0.0001429700000000,  0.0000110500000000 ]  - [   0.0126338100000000, -0.0079679100000000, -0.0023472900000000 ]  - [  -0.0024695200000000, -0.0051997900000000, -0.0013895400000000 ]  - [  -0.0152586700000000,  0.0368916300000000, -0.0195954100000000 ]  - [  -0.0005060900000000,  0.0027241000000000,  0.0004333300000000 ]  - [   0.0005245800000000, -0.0004000300000000,  0.0001420000000000 ]  - [  -0.0002580300000000, -0.0001464700000000,  0.0001050000000000 ]  - [  -0.0001298300000000,  0.0002655500000000, -0.0002606700000000 ]  - [   0.0001342300000000,  0.0000431300000000,  0.0000637200000000 ]  - [  -0.0157305100000000,  0.0618588500000000,  0.0090128800000000 ]  - [   0.0037385900000000,  0.0023119100000000, -0.0011430900000000 ]  - [   0.0050920200000000, -0.0134098500000000,  0.0082906500000000 ]  - [  -0.0107220900000000, -0.0049056100000000,  0.0012828300000000 ]  - [   0.0197135700000000, -0.1215125600000000,  0.0058193100000000 ]  - [  -0.0007332100000000, -0.0015481100000000, -0.0002213000000000 ]  - [  -0.0011502600000000,  0.0050935900000000,  0.0001665800000000 ]  - [   0.0022590600000000,  0.0028376400000000,  0.0002061900000000 ]  - [   0.0060613900000000,  0.0024282800000000,  0.0053863200000000 ]  - [  -0.0010518300000000,  0.0001176500000000,  0.0001001100000000 ]  - [  -0.0010445300000000,  0.0005382600000000, -0.0010749500000000 ]  - [   0.0040408400000000,  0.0029494300000000, -0.0012795400000000 ]  - [   0.0002947500000000,  0.0051939800000000,  0.0103147500000000 ]  - [   0.0001430600000000, -0.0003179200000000,  0.0003059600000000 ]  - [  -0.0008392700000000,  0.0019011100000000, -0.0017476900000000 ]  - [   0.0015220800000000,  0.0004693700000000, -0.0000283200000000 ]  - [  -0.0023333900000000, -0.0148029900000000, -0.0114942100000000 ]  - [  -0.0002756200000000, -0.0016804100000000,  0.0003238900000000 ]  - [  -0.0012482700000000,  0.0041149800000000, -0.0005398000000000 ]  - [   0.0006601700000000,  0.0029969000000000, -0.0007735600000000 ]  - [  -0.0000756600000000,  0.0000204200000000, -0.0003860100000000 ]  - [   0.0000144200000000,  0.0000537100000000,  0.0000196200000000 ]  - [  -0.0000185800000000,  0.0000543600000000,  0.0002937300000000 ]  - [   0.0000500500000000, -0.0001243700000000, -0.0000837600000000 ]  - [   0.0055876500000000, -0.0006410000000000,  0.0022324000000000 ]  - [  -0.0038062400000000, -0.0005513700000000,  0.0006411300000000 ]  - [  -0.0019796500000000,  0.0020160300000000, -0.0006465200000000 ]  - [   0.0061517100000000,  0.0050997300000000, -0.0022533800000000 ]  - [  -0.0002486300000000, -0.0000422300000000, -0.0000951500000000 ]  - [   0.0000886900000000, -0.0001239500000000, -0.0000681100000000 ]  - [   0.0000902200000000, -0.0000374100000000,  0.0002780700000000 ]  - [  -0.0001128800000000,  0.0001337600000000, -0.0000773500000000 ]  - [  -0.0000721200000000,  0.0002732900000000,  0.0000143900000000 ]  - [   0.0001113700000000,  0.0001788400000000, -0.0001220500000000 ]  - [   0.0000710100000000, -0.0001222600000000, -0.0000752500000000 ]  - [  -0.0000929500000000, -0.0000786200000000,  0.0000437200000000 ]  - [  -0.0023228700000000,  0.0242924100000000,  0.0049985700000000 ]  - [  -0.0007632600000000,  0.0007888500000000, -0.0000372900000000 ]  - [  -0.0074865500000000,  0.0083945900000000, -0.0043413900000000 ]  - [   0.0023665700000000, -0.0009224000000000,  0.0006129400000000 ]  - [  -0.0001649600000000,  0.0000582600000000, -0.0000200200000000 ]  - [   0.0001419400000000, -0.0000008500000000,  0.0000110200000000 ]  - [   0.0000599700000000, -0.0000952500000000, -0.0000087500000000 ]  - [  -0.0001764800000000,  0.0000477700000000, -0.0001307300000000 ]  - [   0.0000555400000000, -0.0001430600000000,  0.0000707500000000 ]  - [   0.0000314100000000, -0.0000602800000000, -0.0000560700000000 ]  - [  -0.0000691400000000,  0.0000930200000000,  0.0000396100000000 ]  - [   0.0000474600000000, -0.0000258400000000, -0.0000831500000000 ]  - [  -0.0002066400000000,  0.0003282600000000,  0.0000799000000000 ]  - [   0.0001536400000000,  0.0001192000000000, -0.0000682500000000 ]  - [   0.0001800900000000, -0.0004272000000000,  0.0000756500000000 ]  - [  -0.0001191400000000, -0.0000022700000000,  0.0000724800000000 ]- atom:   25  displacement:    [   0.0049999999968821, -0.0086602540396445,  0.0000000000000000 ]  forces:  - [  -0.0000546600000000, -0.0012628100000000,  0.0003649700000000 ]  - [  -0.0005246100000000, -0.0001338300000000, -0.0004809500000000 ]  - [  -0.0003425900000000,  0.0004860600000000, -0.0001869800000000 ]  - [   0.0004231700000000,  0.0006189000000000,  0.0002646900000000 ]  - [   0.0015213400000000, -0.0014191500000000,  0.0009644000000000 ]  - [  -0.0008066200000000, -0.0009778900000000,  0.0006474600000000 ]  - [  -0.0004008400000000,  0.0008916700000000,  0.0004868800000000 ]  - [   0.0006073200000000,  0.0012939500000000, -0.0008650400000000 ]  - [   0.0004620200000000, -0.0006953400000000, -0.0002502000000000 ]  - [  -0.0003626500000000, -0.0001222800000000, -0.0000348300000000 ]  - [  -0.0003867500000000,  0.0005510400000000,  0.0000985100000000 ]  - [   0.0004217500000000,  0.0001462500000000, -0.0000075800000000 ]  - [  -0.0126316300000000,  0.0079924800000000,  0.0023207900000000 ]  - [   0.0025279300000000,  0.0052775800000000,  0.0014378400000000 ]  - [   0.0159722000000000, -0.0391725300000000,  0.0211132300000000 ]  - [   0.0005058900000000, -0.0027508300000000, -0.0004405300000000 ]  - [  -0.0005239300000000,  0.0004035000000000, -0.0001397900000000 ]  - [   0.0002618900000000,  0.0001526400000000, -0.0001075900000000 ]  - [   0.0001289300000000, -0.0002766300000000,  0.0002659400000000 ]  - [  -0.0001315200000000, -0.0000459800000000, -0.0000625800000000 ]  - [   0.0165957900000000, -0.0606514000000000, -0.0077638600000000 ]  - [  -0.0037125900000000, -0.0023330500000000,  0.0011429600000000 ]  - [  -0.0051252600000000,  0.0134921800000000, -0.0083956400000000 ]  - [   0.0108274800000000,  0.0049594500000000, -0.0013009700000000 ]  - [  -0.0211548100000000,  0.1220505500000000, -0.0085991300000000 ]  - [   0.0007081000000000,  0.0014899200000000,  0.0001995700000000 ]  - [   0.0011237000000000, -0.0051832400000000, -0.0001863600000000 ]  - [  -0.0023114300000000, -0.0029630200000000, -0.0002432600000000 ]  - [  -0.0060103800000000, -0.0023873000000000, -0.0053977600000000 ]  - [   0.0010949000000000, -0.0000670500000000, -0.0000800900000000 ]  - [   0.0011018400000000, -0.0004764400000000,  0.0011149600000000 ]  - [  -0.0040648100000000, -0.0029227500000000,  0.0013474600000000 ]  - [  -0.0003660300000000, -0.0051510500000000, -0.0101491000000000 ]  - [  -0.0002364700000000,  0.0003361900000000, -0.0002853900000000 ]  - [   0.0006807400000000, -0.0018221500000000,  0.0017539700000000 ]  - [  -0.0016042800000000, -0.0004615200000000,  0.0000491400000000 ]  - [   0.0022850100000000,  0.0149288500000000,  0.0114793900000000 ]  - [   0.0002976000000000,  0.0016202100000000, -0.0002994600000000 ]  - [   0.0012728900000000, -0.0041858900000000,  0.0005752600000000 ]  - [  -0.0006416900000000, -0.0030964000000000,  0.0008109200000000 ]  - [   0.0001502500000000, -0.0000373600000000,  0.0004100400000000 ]  - [   0.0000579600000000, -0.0000700600000000,  0.0000028800000000 ]  - [   0.0000956800000000, -0.0000672500000000, -0.0002712300000000 ]  - [   0.0000229600000000,  0.0001119100000000,  0.0001074800000000 ]  - [  -0.0056098200000000,  0.0005181000000000, -0.0023107400000000 ]  - [   0.0038684500000000,  0.0005599400000000, -0.0006661700000000 ]  - [   0.0020840600000000, -0.0020095500000000,  0.0006276600000000 ]  - [  -0.0061992800000000, -0.0052149000000000,  0.0022361100000000 ]  - [   0.0001995800000000, -0.0000176200000000,  0.0001202000000000 ]  - [  -0.0001408600000000,  0.0000643400000000,  0.0000958300000000 ]  - [  -0.0001399300000000, -0.0000181600000000, -0.0002590700000000 ]  - [   0.0000630200000000, -0.0001899600000000,  0.0000998500000000 ]  - [   0.0000982200000000, -0.0002006600000000, -0.0000378700000000 ]  - [  -0.0000888900000000, -0.0001097300000000,  0.0000987100000000 ]  - [  -0.0000434000000000,  0.0001967700000000,  0.0000481100000000 ]  - [   0.0001164500000000,  0.0001505400000000, -0.0000668800000000 ]  - [   0.0022729200000000, -0.0236976500000000, -0.0050264400000000 ]  - [   0.0006920500000000, -0.0007297500000000,  0.0000118800000000 ]  - [   0.0076222000000000, -0.0084607000000000,  0.0043361600000000 ]  - [  -0.0024331900000000,  0.0009848300000000, -0.0006386400000000 ]  - [   0.0000935800000000, -0.0000729600000000, -0.0000030900000000 ]  - [  -0.0002154100000000, -0.0000152200000000, -0.0000377900000000 ]  - [  -0.0001290700000000,  0.0000837000000000, -0.0000142800000000 ]  - [   0.0001036600000000, -0.0000603400000000,  0.0001048200000000 ]  - [  -0.0000049500000000,  0.0000858500000000, -0.0000944300000000 ]  - [   0.0000159400000000,  0.0000030900000000,  0.0000318900000000 ]  - [   0.0001221100000000, -0.0001512900000000, -0.0000660400000000 ]  - [   0.0000015100000000, -0.0000289400000000,  0.0000619500000000 ]  - [   0.0001837800000000, -0.0002610300000000, -0.0000557600000000 ]  - [  -0.0001784900000000, -0.0000525700000000,  0.0000912200000000 ]  - [  -0.0002052000000000,  0.0005028700000000, -0.0000498600000000 ]  - [   0.0000971600000000,  0.0000708800000000, -0.0000477600000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000,  0.0100000000000000 ]  forces:  - [   0.0007434000000000,  0.0004393500000000, -0.0010582800000000 ]  - [  -0.0012034900000000,  0.0002112300000000, -0.0014550500000000 ]  - [   0.0000341300000000,  0.0000057300000000, -0.0003414300000000 ]  - [  -0.0000842600000000, -0.0004551400000000, -0.0005932400000000 ]  - [   0.0020737100000000,  0.0004139000000000,  0.0025088600000000 ]  - [   0.0017034500000000,  0.0001038000000000, -0.0002999400000000 ]  - [   0.0000807300000000, -0.0003526700000000,  0.0000912400000000 ]  - [   0.0000032000000000,  0.0001395000000000,  0.0002156000000000 ]  - [   0.0002816700000000,  0.0006501200000000, -0.0017702500000000 ]  - [  -0.0003503300000000,  0.0000824000000000, -0.0006925600000000 ]  - [   0.0002873600000000, -0.0001233300000000, -0.0006393600000000 ]  - [  -0.0001530200000000, -0.0004011000000000, -0.0007116300000000 ]  - [   0.0026968400000000, -0.0030086500000000,  0.0052056700000000 ]  - [  -0.0019026700000000, -0.0014101500000000,  0.0025226100000000 ]  - [   0.0155720500000000, -0.0238125600000000,  0.0364738800000000 ]  - [  -0.0004734100000000,  0.0001724700000000,  0.0012705600000000 ]  - [  -0.0000025400000000,  0.0002704200000000, -0.0011157700000000 ]  - [   0.0001420800000000,  0.0000628200000000, -0.0008972000000000 ]  - [   0.0005796900000000, -0.0006875000000000, -0.0020195900000000 ]  - [  -0.0005650200000000, -0.0000401900000000, -0.0009570800000000 ]  - [   0.0302353300000000,  0.0434249800000000,  0.0810168000000000 ]  - [   0.0003423600000000,  0.0006656600000000,  0.0019332800000000 ]  - [   0.0003468600000000, -0.0014796800000000,  0.0030809500000000 ]  - [  -0.0011257300000000,  0.0008383200000000,  0.0057328500000000 ]  - [  -0.0642789400000000, -0.0291457700000000, -0.1382696600000000 ]  - [  -0.0000679600000000, -0.0003112100000000, -0.0005989500000000 ]  - [  -0.0001016700000000,  0.0001168100000000, -0.0005255500000000 ]  - [   0.0005608300000000,  0.0005509100000000, -0.0005389400000000 ]  - [   0.0054226100000000,  0.0069875800000000,  0.0018367700000000 ]  - [  -0.0010734200000000, -0.0003778900000000, -0.0006766300000000 ]  - [   0.0001164100000000, -0.0000566600000000, -0.0006772200000000 ]  - [  -0.0012818800000000, -0.0029308000000000, -0.0021861600000000 ]  - [  -0.0033058200000000,  0.0100225200000000,  0.0021084600000000 ]  - [   0.0001889600000000,  0.0000940300000000, -0.0007173500000000 ]  - [   0.0012506300000000, -0.0012779700000000, -0.0001782900000000 ]  - [  -0.0005610600000000,  0.0000425100000000, -0.0007156500000000 ]  - [   0.0167585100000000,  0.0037123300000000,  0.0206764900000000 ]  - [  -0.0001022100000000, -0.0003294700000000, -0.0003419300000000 ]  - [  -0.0001822200000000,  0.0009953000000000, -0.0007743200000000 ]  - [   0.0002406000000000,  0.0004790500000000, -0.0007711900000000 ]  - [   0.0002400300000000, -0.0002148400000000,  0.0005612700000000 ]  - [   0.0000614400000000, -0.0000020500000000,  0.0002360300000000 ]  - [  -0.0002458700000000,  0.0002868100000000,  0.0005625700000000 ]  - [   0.0004233100000000,  0.0003256400000000,  0.0006669100000000 ]  - [  -0.0049302800000000, -0.0029808100000000, -0.0047449300000000 ]  - [  -0.0003545500000000, -0.0004906600000000, -0.0011442700000000 ]  - [  -0.0002864300000000,  0.0002209700000000, -0.0005416300000000 ]  - [   0.0029335400000000,  0.0033439400000000, -0.0023877200000000 ]  - [   0.0000827000000000, -0.0004273800000000,  0.0006062000000000 ]  - [  -0.0002929400000000, -0.0003842400000000,  0.0005244900000000 ]  - [   0.0000573600000000,  0.0002082200000000,  0.0005232800000000 ]  - [   0.0000631300000000, -0.0000078200000000,  0.0002249600000000 ]  - [  -0.0000579500000000, -0.0000343400000000,  0.0003305900000000 ]  - [   0.0000036300000000,  0.0001579700000000,  0.0001991700000000 ]  - [  -0.0004439700000000, -0.0001579600000000,  0.0011781500000000 ]  - [  -0.0000304900000000, -0.0000530800000000,  0.0004290200000000 ]  - [   0.0022436000000000, -0.0071616800000000, -0.0047265900000000 ]  - [  -0.0006670700000000,  0.0003943700000000, -0.0005418300000000 ]  - [  -0.0022774600000000,  0.0016605700000000, -0.0024028300000000 ]  - [   0.0006323700000000,  0.0003834200000000, -0.0011401600000000 ]  - [   0.0000437100000000, -0.0001033300000000,  0.0004189500000000 ]  - [   0.0001009600000000, -0.0000239900000000,  0.0004796400000000 ]  - [   0.0000961600000000,  0.0000112200000000,  0.0006318400000000 ]  - [   0.0000814200000000, -0.0001590700000000,  0.0004202000000000 ]  - [   0.0000214100000000,  0.0000510900000000,  0.0006324000000000 ]  - [   0.0000324500000000,  0.0001697900000000,  0.0004206600000000 ]  - [   0.0000009700000000,  0.0000581900000000,  0.0004801600000000 ]  - [   0.0001420000000000,  0.0001133600000000,  0.0004191300000000 ]  - [  -0.0000409700000000, -0.0000408500000000,  0.0001879400000000 ]  - [  -0.0000219100000000,  0.0001171900000000,  0.0001873100000000 ]  - [  -0.0004640000000000,  0.0003668000000000,  0.0017496500000000 ]  - [   0.0000079100000000,  0.0000915600000000,  0.0004086000000000 ]- atom:   25  displacement:    [   0.0000000000000000,  0.0000000000000000, -0.0100000000000000 ]  forces:  - [  -0.0007411700000000, -0.0004358100000000,  0.0010636300000000 ]  - [   0.0011944700000000, -0.0002119600000000,  0.0014503200000000 ]  - [  -0.0000321500000000, -0.0000058300000000,  0.0003450000000000 ]  - [   0.0000825300000000,  0.0004537400000000,  0.0005982700000000 ]  - [  -0.0022124200000000, -0.0004313900000000, -0.0026129600000000 ]  - [  -0.0017083300000000, -0.0001051200000000,  0.0002908900000000 ]  - [  -0.0000792400000000,  0.0003526300000000, -0.0000971200000000 ]  - [  -0.0000035600000000, -0.0001393000000000, -0.0002229600000000 ]  - [  -0.0002864300000000, -0.0006550900000000,  0.0017765500000000 ]  - [   0.0003504700000000, -0.0000838800000000,  0.0006919800000000 ]  - [  -0.0002899200000000,  0.0001265500000000,  0.0006367600000000 ]  - [   0.0001518000000000,  0.0004073100000000,  0.0007152000000000 ]  - [  -0.0027026800000000,  0.0030100200000000, -0.0051740800000000 ]  - [   0.0019338200000000,  0.0014210600000000, -0.0024865100000000 ]  - [  -0.0152174500000000,  0.0229753300000000, -0.0363119700000000 ]  - [   0.0004679200000000, -0.0001682100000000, -0.0012675800000000 ]  - [   0.0000055700000000, -0.0002763000000000,  0.0011181900000000 ]  - [  -0.0001420600000000, -0.0000672400000000,  0.0008951700000000 ]  - [  -0.0005803900000000,  0.0006947500000000,  0.0020236800000000 ]  - [   0.0005690400000000,  0.0000410700000000,  0.0009585500000000 ]  - [  -0.0290983400000000, -0.0409791100000000, -0.0797127900000000 ]  - [  -0.0003370500000000, -0.0006674700000000, -0.0019218200000000 ]  - [  -0.0003430300000000,  0.0014502900000000, -0.0030284900000000 ]  - [   0.0010896000000000, -0.0008573100000000, -0.0057303400000000 ]  - [   0.0625150000000000,  0.0274362200000000,  0.1362470700000000 ]  - [   0.0000436400000000,  0.0002411800000000,  0.0005742700000000 ]  - [   0.0000772600000000, -0.0001843600000000,  0.0004975300000000 ]  - [  -0.0005866100000000, -0.0006274200000000,  0.0005062600000000 ]  - [  -0.0053640900000000, -0.0069170200000000, -0.0018100300000000 ]  - [   0.0011145700000000,  0.0004299000000000,  0.0006972000000000 ]  - [  -0.0000643500000000,  0.0001119300000000,  0.0006957400000000 ]  - [   0.0013422700000000,  0.0029993700000000,  0.0022014600000000 ]  - [   0.0031822900000000, -0.0098663600000000, -0.0020053400000000 ]  - [  -0.0002625400000000, -0.0000785500000000,  0.0007367900000000 ]  - [  -0.0013123300000000,  0.0012850900000000,  0.0001987000000000 ]  - [   0.0004970400000000, -0.0000300000000000,  0.0007384200000000 ]  - [  -0.0162296400000000, -0.0037750500000000, -0.0200837000000000 ]  - [   0.0001288300000000,  0.0002584600000000,  0.0003667100000000 ]  - [   0.0002070300000000, -0.0010563200000000,  0.0007925900000000 ]  - [  -0.0002162500000000, -0.0005410100000000,  0.0007960800000000 ]  - [  -0.0001682300000000,  0.0002029000000000, -0.0005379600000000 ]  - [   0.0000111600000000, -0.0000107500000000, -0.0002103200000000 ]  - [   0.0003248300000000, -0.0003029500000000, -0.0005361500000000 ]  - [  -0.0003529500000000, -0.0003421400000000, -0.0006451200000000 ]  - [   0.0049350300000000,  0.0028955300000000,  0.0046613200000000 ]  - [   0.0004268800000000,  0.0005019900000000,  0.0011190400000000 ]  - [   0.0003518800000000, -0.0002042700000000,  0.0005126300000000 ]  - [  -0.0028536400000000, -0.0033335100000000,  0.0023715100000000 ]  - [  -0.0001324100000000,  0.0003714900000000, -0.0005830000000000 ]  - [   0.0002456200000000,  0.0003275500000000, -0.0004984800000000 ]  - [  -0.0001061600000000, -0.0002679500000000, -0.0004997000000000 ]  - [  -0.0001133600000000, -0.0000517000000000, -0.0001977600000000 ]  - [   0.0000835700000000,  0.0001071500000000, -0.0003553900000000 ]  - [   0.0000204900000000, -0.0000877000000000, -0.0002241000000000 ]  - [   0.0004712800000000,  0.0002275500000000, -0.0012037300000000 ]  - [   0.0000554000000000,  0.0001231600000000, -0.0004538600000000 ]  - [  -0.0022984200000000,  0.0072159100000000,  0.0046795800000000 ]  - [   0.0006087300000000, -0.0003338000000000,  0.0005131500000000 ]  - [   0.0022132700000000, -0.0015753500000000,  0.0023564700000000 ]  - [  -0.0006720300000000, -0.0003328900000000,  0.0011235900000000 ]  - [  -0.0001155800000000,  0.0000911900000000, -0.0004449800000000 ]  - [  -0.0001730300000000,  0.0000124400000000, -0.0005062700000000 ]  - [  -0.0001684300000000, -0.0000258900000000, -0.0006584600000000 ]  - [  -0.0001524200000000,  0.0001444000000000, -0.0004444100000000 ]  - [   0.0000252800000000, -0.0001072200000000, -0.0006573100000000 ]  - [   0.0000155800000000, -0.0002244000000000, -0.0004434400000000 ]  - [   0.0000495000000000, -0.0001190600000000, -0.0005059500000000 ]  - [  -0.0000943800000000, -0.0001704800000000, -0.0004451400000000 ]  - [   0.0000152400000000,  0.0001103100000000, -0.0001600800000000 ]  - [  -0.0000035300000000, -0.0000498800000000, -0.0001605800000000 ]  - [   0.0004395500000000, -0.0003011300000000, -0.0017292400000000 ]  - [  -0.0000318400000000, -0.0000252400000000, -0.0003831400000000 ]