# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/4c98250a-02bc-402a-b56f-2765b2019707/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 NaGeSbO5 / Pna2_1 (33) / materials id 8341](https://mdr.nims.go.jp/datasets/579ef3e0-4b2b-4e63-ade7-a4cfeac233f1) ## 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: "Pna2_1" number: 33 Hall_symbol: "P 2c -2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 13.044018870000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.438234370000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.764115120000000 ] # c points: - symbol: O # 1 coordinates: [ 0.305510940000000, 0.946087490000000, 0.154304320000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.694489060000000, 0.053912510000000, 0.654304320000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.805510940000000, 0.553912510000000, 0.154304320000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.194489060000000, 0.446087490000000, 0.654304320000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.756705670000000, 0.498717770000000, 0.899904780000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.243294330000000, 0.501282230000000, 0.399904780000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.256705670000000, 0.001282230000000, 0.899904780000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.743294330000000, 0.998717770000000, 0.399904780000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.246422510000000, 0.497028900000000, 0.151257610000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.753577490000000, 0.502971100000000, 0.651257610000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.746422510000000, 0.002971100000000, 0.151257610000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.253577490000000, 0.997028900000000, 0.651257610000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.708069820000000, 0.070003210000000, 0.907364930000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.291930180000000, 0.929996790000000, 0.407364930000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.208069820000000, 0.429996790000000, 0.907364930000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.078999570000000, 0.135066920000000, 0.782693010000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.791930180000000, 0.570003210000000, 0.407364930000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.594698570000000, 0.735705260000000, 0.527923390000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.905301430000000, 0.235705260000000, 0.027923390000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.094698570000000, 0.764294740000000, 0.527923390000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.883915270000000, 0.832112780000000, 0.953978150000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.116084730000000, 0.167887220000000, 0.453978150000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.383915270000000, 0.667887220000000, 0.953978150000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.616084730000000, 0.332112780000000, 0.453978150000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.971278780000000, 0.532872630000000, 0.842174580000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.028721220000000, 0.467127370000000, 0.342174580000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.471278780000000, 0.967127370000000, 0.842174580000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.528721220000000, 0.032872630000000, 0.342174580000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.515734200000000, 0.904694140000000, 0.089242350000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.484265800000000, 0.095305860000000, 0.589242350000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.015734200000000, 0.595305860000000, 0.089242350000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.984265800000000, 0.404694140000000, 0.589242350000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.868399840000000, 0.166167700000000, 0.757343900000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.131600160000000, 0.833832300000000, 0.257343900000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.368399840000000, 0.333832300000000, 0.757343900000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.631600160000000, 0.666167700000000, 0.257343900000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.421000430000000, 0.635066920000000, 0.282693010000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.578999570000000, 0.364933080000000, 0.782693010000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.921000430000000, 0.864933080000000, 0.282693010000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.405301430000000, 0.264294740000000, 0.027923390000000 ] mass: 15.999400 - symbol: Na # 41 coordinates: [ 0.841847640000000, 0.799749300000000, 0.732179890000000 ] mass: 22.989769 - symbol: Na # 42 coordinates: [ 0.399503590000000, 0.272239030000000, 0.410317670000000 ] mass: 22.989769 - symbol: Na # 43 coordinates: [ 0.899503590000000, 0.227760970000000, 0.410317670000000 ] mass: 22.989769 - symbol: Na # 44 coordinates: [ 0.600496410000000, 0.727760970000000, 0.910317670000000 ] mass: 22.989769 - symbol: Na # 45 coordinates: [ 0.658152360000000, 0.299749300000000, 0.232179890000000 ] mass: 22.989769 - symbol: Na # 46 coordinates: [ 0.341847640000000, 0.700250700000000, 0.732179890000000 ] mass: 22.989769 - symbol: Na # 47 coordinates: [ 0.158152360000000, 0.200250700000000, 0.232179890000000 ] mass: 22.989769 - symbol: Na # 48 coordinates: [ 0.100496410000000, 0.772239030000000, 0.910317670000000 ] mass: 22.989769 - symbol: Ge # 49 coordinates: [ 0.018931260000000, 0.686148030000000, 0.244060140000000 ] mass: 72.640000 - symbol: Ge # 50 coordinates: [ 0.481068740000000, 0.186148030000000, 0.744060140000000 ] mass: 72.640000 - symbol: Ge # 51 coordinates: [ 0.518931260000000, 0.813851970000000, 0.244060140000000 ] mass: 72.640000 - symbol: Ge # 52 coordinates: [ 0.687404670000000, 0.541171490000000, 0.510450370000000 ] mass: 72.640000 - symbol: Ge # 53 coordinates: [ 0.312595330000000, 0.458828510000000, 0.010450370000000 ] mass: 72.640000 - symbol: Ge # 54 coordinates: [ 0.187404670000000, 0.958828510000000, 0.510450370000000 ] mass: 72.640000 - symbol: Ge # 55 coordinates: [ 0.981068740000000, 0.313851970000000, 0.744060140000000 ] mass: 72.640000 - symbol: Ge # 56 coordinates: [ 0.812595330000000, 0.041171490000000, 0.010450370000000 ] mass: 72.640000 - symbol: Sb # 57 coordinates: [ 0.725594060000000, 0.279736500000000, 0.773819370000000 ] mass: 121.760000 - symbol: Sb # 58 coordinates: [ 0.274405940000000, 0.720263500000000, 0.273819370000000 ] mass: 121.760000 - symbol: Sb # 59 coordinates: [ 0.225594060000000, 0.220263500000000, 0.773819370000000 ] mass: 121.760000 - symbol: Sb # 60 coordinates: [ 0.885415130000000, 0.534142430000000, 0.999405500000000 ] mass: 121.760000 - symbol: Sb # 61 coordinates: [ 0.114584870000000, 0.465857570000000, 0.499405500000000 ] mass: 121.760000 - symbol: Sb # 62 coordinates: [ 0.385415130000000, 0.965857570000000, 0.999405500000000 ] mass: 121.760000 - symbol: Sb # 63 coordinates: [ 0.614584870000000, 0.034142430000000, 0.499405500000000 ] mass: 121.760000 - symbol: Sb # 64 coordinates: [ 0.774405940000000, 0.779736500000000, 0.273819370000000 ] mass: 121.760000 reciprocal_lattice: # without 2pi - [ 0.076663489218028, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.155322087164093, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.092901273244651 ] # c*unit_cell: lattice: - [ 13.044018870000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 6.438234370000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.764115120000000 ] # c points: - symbol: O # 1 coordinates: [ 0.305510940000000, 0.946087490000000, 0.154304320000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.694489060000000, 0.053912510000000, 0.654304320000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.805510940000000, 0.553912510000000, 0.154304320000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.194489060000000, 0.446087490000000, 0.654304320000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.756705670000000, 0.498717770000000, 0.899904780000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.243294330000000, 0.501282230000000, 0.399904780000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.256705670000000, 0.001282230000000, 0.899904780000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.743294330000000, 0.998717770000000, 0.399904780000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.246422510000000, 0.497028900000000, 0.151257610000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.753577490000000, 0.502971100000000, 0.651257610000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.746422510000000, 0.002971100000000, 0.151257610000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.253577490000000, 0.997028900000000, 0.651257610000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.708069820000000, 0.070003210000000, 0.907364930000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.291930180000000, 0.929996790000000, 0.407364930000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.208069820000000, 0.429996790000000, 0.907364930000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.078999570000000, 0.135066920000000, 0.782693010000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.791930180000000, 0.570003210000000, 0.407364930000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.594698570000000, 0.735705260000000, 0.527923390000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.905301430000000, 0.235705260000000, 0.027923390000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.094698570000000, 0.764294740000000, 0.527923390000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.883915270000000, 0.832112780000000, 0.953978150000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.116084730000000, 0.167887220000000, 0.453978150000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.383915270000000, 0.667887220000000, 0.953978150000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.616084730000000, 0.332112780000000, 0.453978150000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.971278780000000, 0.532872630000000, 0.842174580000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.028721220000000, 0.467127370000000, 0.342174580000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.471278780000000, 0.967127370000000, 0.842174580000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.528721220000000, 0.032872630000000, 0.342174580000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.515734200000000, 0.904694140000000, 0.089242350000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.484265800000000, 0.095305860000000, 0.589242350000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.015734200000000, 0.595305860000000, 0.089242350000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.984265800000000, 0.404694140000000, 0.589242350000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.868399840000000, 0.166167700000000, 0.757343900000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.131600160000000, 0.833832300000000, 0.257343900000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.368399840000000, 0.333832300000000, 0.757343900000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.631600160000000, 0.666167700000000, 0.257343900000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.421000430000000, 0.635066920000000, 0.282693010000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.578999570000000, 0.364933080000000, 0.782693010000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.921000430000000, 0.864933080000000, 0.282693010000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.405301430000000, 0.264294740000000, 0.027923390000000 ] mass: 15.999400 reduced_to: 40 - symbol: Na # 41 coordinates: [ 0.841847640000000, 0.799749300000000, 0.732179890000000 ] mass: 22.989769 reduced_to: 41 - symbol: Na # 42 coordinates: [ 0.399503590000000, 0.272239030000000, 0.410317670000000 ] mass: 22.989769 reduced_to: 42 - symbol: Na # 43 coordinates: [ 0.899503590000000, 0.227760970000000, 0.410317670000000 ] mass: 22.989769 reduced_to: 43 - symbol: Na # 44 coordinates: [ 0.600496410000000, 0.727760970000000, 0.910317670000000 ] mass: 22.989769 reduced_to: 44 - symbol: Na # 45 coordinates: [ 0.658152360000000, 0.299749300000000, 0.232179890000000 ] mass: 22.989769 reduced_to: 45 - symbol: Na # 46 coordinates: [ 0.341847640000000, 0.700250700000000, 0.732179890000000 ] mass: 22.989769 reduced_to: 46 - symbol: Na # 47 coordinates: [ 0.158152360000000, 0.200250700000000, 0.232179890000000 ] mass: 22.989769 reduced_to: 47 - symbol: Na # 48 coordinates: [ 0.100496410000000, 0.772239030000000, 0.910317670000000 ] mass: 22.989769 reduced_to: 48 - symbol: Ge # 49 coordinates: [ 0.018931260000000, 0.686148030000000, 0.244060140000000 ] mass: 72.640000 reduced_to: 49 - symbol: Ge # 50 coordinates: [ 0.481068740000000, 0.186148030000000, 0.744060140000000 ] mass: 72.640000 reduced_to: 50 - symbol: Ge # 51 coordinates: [ 0.518931260000000, 0.813851970000000, 0.244060140000000 ] mass: 72.640000 reduced_to: 51 - symbol: Ge # 52 coordinates: [ 0.687404670000000, 0.541171490000000, 0.510450370000000 ] mass: 72.640000 reduced_to: 52 - symbol: Ge # 53 coordinates: [ 0.312595330000000, 0.458828510000000, 0.010450370000000 ] mass: 72.640000 reduced_to: 53 - symbol: Ge # 54 coordinates: [ 0.187404670000000, 0.958828510000000, 0.510450370000000 ] mass: 72.640000 reduced_to: 54 - symbol: Ge # 55 coordinates: [ 0.981068740000000, 0.313851970000000, 0.744060140000000 ] mass: 72.640000 reduced_to: 55 - symbol: Ge # 56 coordinates: [ 0.812595330000000, 0.041171490000000, 0.010450370000000 ] mass: 72.640000 reduced_to: 56 - symbol: Sb # 57 coordinates: [ 0.725594060000000, 0.279736500000000, 0.773819370000000 ] mass: 121.760000 reduced_to: 57 - symbol: Sb # 58 coordinates: [ 0.274405940000000, 0.720263500000000, 0.273819370000000 ] mass: 121.760000 reduced_to: 58 - symbol: Sb # 59 coordinates: [ 0.225594060000000, 0.220263500000000, 0.773819370000000 ] mass: 121.760000 reduced_to: 59 - symbol: Sb # 60 coordinates: [ 0.885415130000000, 0.534142430000000, 0.999405500000000 ] mass: 121.760000 reduced_to: 60 - symbol: Sb # 61 coordinates: [ 0.114584870000000, 0.465857570000000, 0.499405500000000 ] mass: 121.760000 reduced_to: 61 - symbol: Sb # 62 coordinates: [ 0.385415130000000, 0.965857570000000, 0.999405500000000 ] mass: 121.760000 reduced_to: 62 - symbol: Sb # 63 coordinates: [ 0.614584870000000, 0.034142430000000, 0.499405500000000 ] mass: 121.760000 reduced_to: 63 - symbol: Sb # 64 coordinates: [ 0.774405940000000, 0.779736500000000, 0.273819370000000 ] mass: 121.760000 reduced_to: 64supercell: lattice: - [ 13.044018870000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.876468740000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.764115120000000 ] # c points: - symbol: O # 1 coordinates: [ 0.305510940000000, 0.473043745000000, 0.154304320000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.305510940000000, 0.973043745000000, 0.154304320000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.694489060000000, 0.026956255000000, 0.654304320000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.694489060000000, 0.526956255000000, 0.654304320000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.805510940000000, 0.276956255000000, 0.154304320000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.805510940000000, 0.776956255000000, 0.154304320000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.194489060000000, 0.223043745000000, 0.654304320000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.194489060000000, 0.723043745000000, 0.654304320000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.756705670000000, 0.249358885000000, 0.899904780000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.756705670000000, 0.749358885000000, 0.899904780000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.243294330000000, 0.250641115000000, 0.399904780000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.243294330000000, 0.750641115000000, 0.399904780000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.256705670000000, 0.000641115000000, 0.899904780000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.256705670000000, 0.500641115000000, 0.899904780000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.743294330000000, 0.499358885000000, 0.399904780000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.743294330000000, 0.999358885000000, 0.399904780000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.246422510000000, 0.248514450000000, 0.151257610000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.246422510000000, 0.748514450000000, 0.151257610000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.753577490000000, 0.251485550000000, 0.651257610000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.753577490000000, 0.751485550000000, 0.651257610000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.746422510000000, 0.001485550000000, 0.151257610000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.746422510000000, 0.501485550000000, 0.151257610000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.253577490000000, 0.498514450000000, 0.651257610000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.253577490000000, 0.998514450000000, 0.651257610000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.708069820000000, 0.035001605000000, 0.907364930000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.708069820000000, 0.535001605000000, 0.907364930000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.291930180000000, 0.464998395000000, 0.407364930000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.291930180000000, 0.964998395000000, 0.407364930000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.208069820000000, 0.214998395000000, 0.907364930000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.208069820000000, 0.714998395000000, 0.907364930000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.078999570000000, 0.067533460000000, 0.782693010000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.078999570000000, 0.567533460000000, 0.782693010000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.791930180000000, 0.285001605000000, 0.407364930000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.791930180000000, 0.785001605000000, 0.407364930000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.594698570000000, 0.367852630000000, 0.527923390000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.594698570000000, 0.867852630000000, 0.527923390000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.905301430000000, 0.117852630000000, 0.027923390000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.905301430000000, 0.617852630000000, 0.027923390000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.094698570000000, 0.382147370000000, 0.527923390000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.094698570000000, 0.882147370000000, 0.527923390000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.883915270000000, 0.416056390000000, 0.953978150000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.883915270000000, 0.916056390000000, 0.953978150000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.116084730000000, 0.083943610000000, 0.453978150000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.116084730000000, 0.583943610000000, 0.453978150000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.383915270000000, 0.333943610000000, 0.953978150000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.383915270000000, 0.833943610000000, 0.953978150000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.616084730000000, 0.166056390000000, 0.453978150000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.616084730000000, 0.666056390000000, 0.453978150000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.971278780000000, 0.266436315000000, 0.842174580000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.971278780000000, 0.766436315000000, 0.842174580000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.028721220000000, 0.233563685000000, 0.342174580000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.028721220000000, 0.733563685000000, 0.342174580000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.471278780000000, 0.483563685000000, 0.842174580000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.471278780000000, 0.983563685000000, 0.842174580000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.528721220000000, 0.016436315000000, 0.342174580000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.528721220000000, 0.516436315000000, 0.342174580000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.515734200000000, 0.452347070000000, 0.089242350000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.515734200000000, 0.952347070000000, 0.089242350000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.484265800000000, 0.047652930000000, 0.589242350000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.484265800000000, 0.547652930000000, 0.589242350000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.015734200000000, 0.297652930000000, 0.089242350000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.015734200000000, 0.797652930000000, 0.089242350000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.984265800000000, 0.202347070000000, 0.589242350000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.984265800000000, 0.702347070000000, 0.589242350000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.868399840000000, 0.083083850000000, 0.757343900000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.868399840000000, 0.583083850000000, 0.757343900000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.131600160000000, 0.416916150000000, 0.257343900000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.131600160000000, 0.916916150000000, 0.257343900000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.368399840000000, 0.166916150000000, 0.757343900000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.368399840000000, 0.666916150000000, 0.757343900000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.631600160000000, 0.333083850000000, 0.257343900000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.631600160000000, 0.833083850000000, 0.257343900000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.421000430000000, 0.317533460000000, 0.282693010000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.421000430000000, 0.817533460000000, 0.282693010000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.578999570000000, 0.182466540000000, 0.782693010000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.578999570000000, 0.682466540000000, 0.782693010000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.921000430000000, 0.432466540000000, 0.282693010000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.921000430000000, 0.932466540000000, 0.282693010000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.405301430000000, 0.132147370000000, 0.027923390000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.405301430000000, 0.632147370000000, 0.027923390000000 ] mass: 15.999400 reduced_to: 79 - symbol: Na # 81 coordinates: [ 0.841847640000000, 0.399874650000000, 0.732179890000000 ] mass: 22.989769 reduced_to: 81 - symbol: Na # 82 coordinates: [ 0.841847640000000, 0.899874650000000, 0.732179890000000 ] mass: 22.989769 reduced_to: 81 - symbol: Na # 83 coordinates: [ 0.399503590000000, 0.136119515000000, 0.410317670000000 ] mass: 22.989769 reduced_to: 83 - symbol: Na # 84 coordinates: [ 0.399503590000000, 0.636119515000000, 0.410317670000000 ] mass: 22.989769 reduced_to: 83 - symbol: Na # 85 coordinates: [ 0.899503590000000, 0.113880485000000, 0.410317670000000 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 86 coordinates: [ 0.899503590000000, 0.613880485000000, 0.410317670000000 ] mass: 22.989769 reduced_to: 85 - symbol: Na # 87 coordinates: [ 0.600496410000000, 0.363880485000000, 0.910317670000000 ] mass: 22.989769 reduced_to: 87 - symbol: Na # 88 coordinates: [ 0.600496410000000, 0.863880485000000, 0.910317670000000 ] mass: 22.989769 reduced_to: 87 - symbol: Na # 89 coordinates: [ 0.658152360000000, 0.149874650000000, 0.232179890000000 ] mass: 22.989769 reduced_to: 89 - symbol: Na # 90 coordinates: [ 0.658152360000000, 0.649874650000000, 0.232179890000000 ] mass: 22.989769 reduced_to: 89 - symbol: Na # 91 coordinates: [ 0.341847640000000, 0.350125350000000, 0.732179890000000 ] mass: 22.989769 reduced_to: 91 - symbol: Na # 92 coordinates: [ 0.341847640000000, 0.850125350000000, 0.732179890000000 ] mass: 22.989769 reduced_to: 91 - symbol: Na # 93 coordinates: [ 0.158152360000000, 0.100125350000000, 0.232179890000000 ] mass: 22.989769 reduced_to: 93 - symbol: Na # 94 coordinates: [ 0.158152360000000, 0.600125350000000, 0.232179890000000 ] mass: 22.989769 reduced_to: 93 - symbol: Na # 95 coordinates: [ 0.100496410000000, 0.386119515000000, 0.910317670000000 ] mass: 22.989769 reduced_to: 95 - symbol: Na # 96 coordinates: [ 0.100496410000000, 0.886119515000000, 0.910317670000000 ] mass: 22.989769 reduced_to: 95 - symbol: Ge # 97 coordinates: [ 0.018931260000000, 0.343074015000000, 0.244060140000000 ] mass: 72.640000 reduced_to: 97 - symbol: Ge # 98 coordinates: [ 0.018931260000000, 0.843074015000000, 0.244060140000000 ] mass: 72.640000 reduced_to: 97 - symbol: Ge # 99 coordinates: [ 0.481068740000000, 0.093074015000000, 0.744060140000000 ] mass: 72.640000 reduced_to: 99 - symbol: Ge # 100 coordinates: [ 0.481068740000000, 0.593074015000000, 0.744060140000000 ] mass: 72.640000 reduced_to: 99 - symbol: Ge # 101 coordinates: [ 0.518931260000000, 0.406925985000000, 0.244060140000000 ] mass: 72.640000 reduced_to: 101 - symbol: Ge # 102 coordinates: [ 0.518931260000000, 0.906925985000000, 0.244060140000000 ] mass: 72.640000 reduced_to: 101 - symbol: Ge # 103 coordinates: [ 0.687404670000000, 0.270585745000000, 0.510450370000000 ] mass: 72.640000 reduced_to: 103 - symbol: Ge # 104 coordinates: [ 0.687404670000000, 0.770585745000000, 0.510450370000000 ] mass: 72.640000 reduced_to: 103 - symbol: Ge # 105 coordinates: [ 0.312595330000000, 0.229414255000000, 0.010450370000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 106 coordinates: [ 0.312595330000000, 0.729414255000000, 0.010450370000000 ] mass: 72.640000 reduced_to: 105 - symbol: Ge # 107 coordinates: [ 0.187404670000000, 0.479414255000000, 0.510450370000000 ] mass: 72.640000 reduced_to: 107 - symbol: Ge # 108 coordinates: [ 0.187404670000000, 0.979414255000000, 0.510450370000000 ] mass: 72.640000 reduced_to: 107 - symbol: Ge # 109 coordinates: [ 0.981068740000000, 0.156925985000000, 0.744060140000000 ] mass: 72.640000 reduced_to: 109 - symbol: Ge # 110 coordinates: [ 0.981068740000000, 0.656925985000000, 0.744060140000000 ] mass: 72.640000 reduced_to: 109 - symbol: Ge # 111 coordinates: [ 0.812595330000000, 0.020585745000000, 0.010450370000000 ] mass: 72.640000 reduced_to: 111 - symbol: Ge # 112 coordinates: [ 0.812595330000000, 0.520585745000000, 0.010450370000000 ] mass: 72.640000 reduced_to: 111 - symbol: Sb # 113 coordinates: [ 0.725594060000000, 0.139868250000000, 0.773819370000000 ] mass: 121.760000 reduced_to: 113 - symbol: Sb # 114 coordinates: [ 0.725594060000000, 0.639868250000000, 0.773819370000000 ] mass: 121.760000 reduced_to: 113 - symbol: Sb # 115 coordinates: [ 0.274405940000000, 0.360131750000000, 0.273819370000000 ] mass: 121.760000 reduced_to: 115 - symbol: Sb # 116 coordinates: [ 0.274405940000000, 0.860131750000000, 0.273819370000000 ] mass: 121.760000 reduced_to: 115 - symbol: Sb # 117 coordinates: [ 0.225594060000000, 0.110131750000000, 0.773819370000000 ] mass: 121.760000 reduced_to: 117 - symbol: Sb # 118 coordinates: [ 0.225594060000000, 0.610131750000000, 0.773819370000000 ] mass: 121.760000 reduced_to: 117 - symbol: Sb # 119 coordinates: [ 0.885415130000000, 0.267071215000000, 0.999405500000000 ] mass: 121.760000 reduced_to: 119 - symbol: Sb # 120 coordinates: [ 0.885415130000000, 0.767071215000000, 0.999405500000000 ] mass: 121.760000 reduced_to: 119 - symbol: Sb # 121 coordinates: [ 0.114584870000000, 0.232928785000000, 0.499405500000000 ] mass: 121.760000 reduced_to: 121 - symbol: Sb # 122 coordinates: [ 0.114584870000000, 0.732928785000000, 0.499405500000000 ] mass: 121.760000 reduced_to: 121 - symbol: Sb # 123 coordinates: [ 0.385415130000000, 0.482928785000000, 0.999405500000000 ] mass: 121.760000 reduced_to: 123 - symbol: Sb # 124 coordinates: [ 0.385415130000000, 0.982928785000000, 0.999405500000000 ] mass: 121.760000 reduced_to: 123 - symbol: Sb # 125 coordinates: [ 0.614584870000000, 0.017071215000000, 0.499405500000000 ] mass: 121.760000 reduced_to: 125 - symbol: Sb # 126 coordinates: [ 0.614584870000000, 0.517071215000000, 0.499405500000000 ] mass: 121.760000 reduced_to: 125 - symbol: Sb # 127 coordinates: [ 0.774405940000000, 0.389868250000000, 0.273819370000000 ] mass: 121.760000 reduced_to: 127 - symbol: Sb # 128 coordinates: [ 0.774405940000000, 0.889868250000000, 0.273819370000000 ] mass: 121.760000 reduced_to: 127displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0964843800000000, -0.0232959700000000, 0.0984682100000000 ] - [ -0.0004363600000000, 0.0001923600000000, 0.0003556800000000 ] - [ 0.0001568200000000, -0.0001296200000000, 0.0000930000000000 ] - [ 0.0002996400000000, -0.0000150300000000, 0.0000125200000000 ] - [ 0.0015778600000000, -0.0001805100000000, -0.0003331300000000 ] - [ 0.0004194300000000, -0.0000306400000000, -0.0001146900000000 ] - [ -0.0004337000000000, 0.0006093300000000, -0.0007935500000000 ] - [ -0.0004357600000000, -0.0001173000000000, -0.0006640000000000 ] - [ 0.0005744700000000, -0.0000702900000000, 0.0001105000000000 ] - [ 0.0004157100000000, 0.0003183800000000, 0.0002143600000000 ] - [ -0.0011974100000000, 0.0016801300000000, -0.0010625900000000 ] - [ -0.0003598900000000, -0.0007269800000000, 0.0002083300000000 ] - [ -0.0006330800000000, 0.0002190200000000, -0.0002669400000000 ] - [ -0.0036563000000000, -0.0011603600000000, 0.0029223400000000 ] - [ 0.0017752500000000, -0.0000615200000000, -0.0002475900000000 ] - [ 0.0004426700000000, 0.0000493200000000, -0.0001480000000000 ] - [ -0.0029441800000000, 0.0058360400000000, 0.0027982400000000 ] - [ -0.0010979000000000, -0.0006786400000000, 0.0011847600000000 ] - [ 0.0002163900000000, 0.0000430500000000, 0.0004176600000000 ] - [ 0.0001654600000000, 0.0003926900000000, 0.0002750100000000 ] - [ 0.0004661800000000, 0.0003025100000000, 0.0000595400000000 ] - [ 0.0021543100000000, 0.0000268000000000, 0.0004056400000000 ] - [ -0.0005309600000000, -0.0010944000000000, -0.0016714500000000 ] - [ -0.0005315600000000, -0.0001506200000000, -0.0001257200000000 ] - [ 0.0000624700000000, -0.0001066500000000, 0.0001124700000000 ] - [ 0.0007556800000000, 0.0002412300000000, -0.0002571700000000 ] - [ -0.0010248600000000, -0.0002045700000000, -0.0072985700000000 ] - [ -0.0001010000000000, 0.0001912700000000, 0.0001629900000000 ] - [ -0.0013891400000000, 0.0000056300000000, 0.0005332200000000 ] - [ -0.0014892700000000, 0.0000196800000000, -0.0004555300000000 ] - [ -0.0002660200000000, 0.0004033000000000, -0.0000970200000000 ] - [ 0.0000092400000000, -0.0000691700000000, -0.0000315700000000 ] - [ 0.0014468900000000, -0.0001796900000000, -0.0001251600000000 ] - [ 0.0006363200000000, 0.0000736000000000, -0.0001997100000000 ] - [ 0.0005696400000000, -0.0005141000000000, 0.0004600800000000 ] - [ 0.0000218600000000, 0.0003762400000000, -0.0000161100000000 ] - [ 0.0006221000000000, 0.0006414200000000, 0.0001192400000000 ] - [ 0.0007345300000000, 0.0001422700000000, 0.0001199100000000 ] - [ 0.0001602300000000, 0.0003495000000000, -0.0013915600000000 ] - [ -0.0000624400000000, -0.0000702000000000, -0.0000934300000000 ] - [ 0.0011199300000000, -0.0007223600000000, -0.0000820600000000 ] - [ 0.0003431800000000, 0.0001061400000000, -0.0001768500000000 ] - [ -0.0003999700000000, 0.0008247200000000, -0.0005845600000000 ] - [ 0.0003254000000000, -0.0015717900000000, -0.0012793000000000 ] - [ -0.0034875300000000, -0.0053789500000000, -0.0027811900000000 ] - [ -0.0003199000000000, 0.0017544100000000, -0.0001800100000000 ] - [ 0.0001188500000000, -0.0004534900000000, -0.0000043800000000 ] - [ 0.0004456300000000, 0.0008390200000000, 0.0001619800000000 ] - [ 0.0001262800000000, 0.0001765400000000, 0.0004897400000000 ] - [ -0.0000145700000000, -0.0000770300000000, 0.0000981200000000 ] - [ 0.0013836500000000, 0.0027155600000000, -0.0012532900000000 ] - [ 0.0005633400000000, -0.0006146700000000, 0.0002755500000000 ] - [ 0.0004833300000000, 0.0007979600000000, -0.0035860100000000 ] - [ -0.0002974400000000, 0.0002142300000000, 0.0001508400000000 ] - [ 0.0002215900000000, -0.0001739600000000, 0.0002480300000000 ] - [ 0.0022804900000000, 0.0006398000000000, 0.0042669400000000 ] - [ 0.0161261400000000, -0.0036572400000000, -0.0038280200000000 ] - [ -0.0001186300000000, -0.0001695000000000, 0.0002549100000000 ] - [ -0.0000449600000000, 0.0001863600000000, 0.0001397300000000 ] - [ -0.0002472800000000, 0.0005302500000000, 0.0002173400000000 ] - [ 0.0024849800000000, 0.0015716400000000, 0.0020806300000000 ] - [ 0.0002000400000000, 0.0000959000000000, 0.0003373100000000 ] - [ 0.0004420800000000, 0.0001842900000000, -0.0005517800000000 ] - [ 0.0005316700000000, -0.0003357800000000, -0.0003666900000000 ] - [ 0.0001451400000000, 0.0002926100000000, 0.0000211900000000 ] - [ 0.0003767100000000, 0.0002234800000000, -0.0000383000000000 ] - [ 0.0216134000000000, 0.0106785600000000, -0.0104706400000000 ] - [ 0.0003172400000000, -0.0001458500000000, 0.0002316900000000 ] - [ -0.0012221000000000, -0.0004928000000000, -0.0001522000000000 ] - [ -0.0019911100000000, -0.0001131700000000, -0.0004059800000000 ] - [ 0.0036400600000000, -0.0010535600000000, 0.0017891000000000 ] - [ 0.0006764400000000, 0.0003638000000000, 0.0001267700000000 ] - [ -0.0024935600000000, -0.0075620100000000, 0.0071071400000000 ] - [ -0.0004342400000000, 0.0003653900000000, 0.0002595500000000 ] - [ -0.0000133800000000, -0.0004354300000000, -0.0000128200000000 ] - [ 0.0002410900000000, 0.0002273400000000, -0.0001459800000000 ] - [ 0.0051813500000000, -0.0004059000000000, -0.0000106100000000 ] - [ 0.0006789800000000, -0.0002010000000000, 0.0000890500000000 ] - [ -0.0009685100000000, -0.0005824300000000, 0.0004888600000000 ] - [ -0.0022837600000000, 0.0069760600000000, -0.0041027500000000 ] - [ -0.0001533700000000, -0.0001044800000000, -0.0001873600000000 ] - [ 0.0000800800000000, -0.0002597600000000, -0.0002103400000000 ] - [ 0.0005148100000000, 0.0000611500000000, -0.0004567200000000 ] - [ 0.0009933000000000, -0.0005878400000000, -0.0008595300000000 ] - [ -0.0006982300000000, 0.0001827400000000, -0.0000734500000000 ] - [ -0.0008398300000000, 0.0006434100000000, -0.0000162400000000 ] - [ -0.0008747500000000, 0.0012532200000000, 0.0013246200000000 ] - [ 0.0000099800000000, 0.0001724300000000, -0.0001476400000000 ] - [ -0.0006766400000000, 0.0002440100000000, -0.0001871200000000 ] - [ -0.0010769400000000, -0.0008734700000000, -0.0004815900000000 ] - [ 0.0010399200000000, 0.0001152500000000, 0.0005831100000000 ] - [ 0.0005005700000000, 0.0001201600000000, -0.0000065200000000 ] - [ -0.0002441300000000, -0.0005676500000000, -0.0001493500000000 ] - [ -0.0004359100000000, 0.0033209200000000, 0.0008546800000000 ] - [ -0.0004111900000000, -0.0008312400000000, -0.0017865000000000 ] - [ 0.0002606500000000, -0.0004599400000000, -0.0001945200000000 ] - [ -0.0092726800000000, -0.0056206400000000, -0.0021044500000000 ] - [ -0.0002784500000000, 0.0006040400000000, -0.0002433600000000 ] - [ 0.0001949200000000, 0.0001308900000000, 0.0001893100000000 ] - [ 0.0003577500000000, -0.0017323000000000, 0.0016037400000000 ] - [ -0.0081121500000000, 0.0060435800000000, -0.0126423900000000 ] - [ 0.0002847700000000, -0.0000364700000000, -0.0000428600000000 ] - [ -0.0013172600000000, 0.0007660400000000, -0.0004823800000000 ] - [ -0.0007263500000000, -0.0005782200000000, -0.0001061800000000 ] - [ 0.0069903400000000, 0.0027407800000000, -0.0057558300000000 ] - [ 0.0057227400000000, -0.0032397500000000, -0.0007382200000000 ] - [ -0.0017159100000000, 0.0012418900000000, 0.0041374200000000 ] - [ 0.0004517000000000, -0.0005948600000000, 0.0002161600000000 ] - [ -0.0005114000000000, -0.0006665600000000, 0.0005282500000000 ] - [ -0.0008610700000000, 0.0000123300000000, 0.0004771800000000 ] - [ -0.0005187000000000, -0.0002172800000000, -0.0000987700000000 ] - [ -0.0020809200000000, 0.0002770500000000, 0.0001571300000000 ] - [ -0.0010623100000000, 0.0002533400000000, -0.0002701800000000 ] - [ -0.0015525300000000, -0.0005314300000000, 0.0001184500000000 ] - [ 0.0248007800000000, 0.0084303300000000, -0.0118986400000000 ] - [ 0.0012277100000000, 0.0002774000000000, -0.0006845300000000 ] - [ 0.0010057600000000, -0.0004574800000000, 0.0006370600000000 ] - [ 0.0010340700000000, 0.0014189000000000, 0.0014904800000000 ] - [ -0.0030626500000000, -0.0002056500000000, -0.0012337500000000 ] - [ -0.0010098400000000, 0.0000278300000000, -0.0003059700000000 ] - [ 0.0003331500000000, -0.0023175600000000, 0.0027036600000000 ] - [ -0.0000592300000000, 0.0015961400000000, 0.0007248800000000 ] - [ 0.0537635800000000, 0.0024291100000000, -0.0536947000000000 ] - [ 0.0006677400000000, -0.0009122500000000, -0.0004591100000000 ] - [ -0.0002035400000000, 0.0003315400000000, -0.0001710400000000 ] - [ -0.0020343300000000, -0.0002674300000000, -0.0025509800000000 ] - [ -0.0060753200000000, -0.0001930800000000, -0.0002059900000000 ] - [ -0.0007076600000000, -0.0003138100000000, 0.0002388200000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0958419900000000, 0.0231369600000000, -0.0965149900000000 ] - [ 0.0005640000000000, 0.0000170800000000, -0.0004555100000000 ] - [ -0.0002884300000000, -0.0000751400000000, -0.0001949900000000 ] - [ -0.0004315100000000, -0.0001888700000000, -0.0001153400000000 ] - [ -0.0014484500000000, -0.0000290700000000, 0.0002318500000000 ] - [ -0.0002905700000000, -0.0001732900000000, 0.0000146000000000 ] - [ 0.0003054800000000, -0.0004033800000000, 0.0006941700000000 ] - [ 0.0003036900000000, 0.0003203900000000, 0.0005615500000000 ] - [ -0.0008084100000000, 0.0002373200000000, -0.0001256900000000 ] - [ -0.0006487000000000, -0.0001450800000000, -0.0002268400000000 ] - [ 0.0014458100000000, -0.0018272900000000, 0.0010216800000000 ] - [ 0.0005921000000000, 0.0005557600000000, -0.0002202900000000 ] - [ 0.0003978700000000, -0.0003846600000000, 0.0002549400000000 ] - [ 0.0033867400000000, 0.0009692000000000, -0.0029289600000000 ] - [ -0.0015435500000000, 0.0002314700000000, 0.0002385700000000 ] - [ -0.0002104500000000, 0.0001202300000000, 0.0001345300000000 ] - [ 0.0033407100000000, -0.0062547600000000, -0.0023863100000000 ] - [ 0.0014693600000000, 0.0002255900000000, -0.0007740600000000 ] - [ -0.0005947000000000, 0.0004096600000000, -0.0000156200000000 ] - [ -0.0005363100000000, 0.0000617900000000, 0.0001335500000000 ] - [ -0.0000934400000000, 0.0001507700000000, 0.0003474700000000 ] - [ -0.0017726100000000, 0.0004262700000000, 0.0000019300000000 ] - [ 0.0001616900000000, 0.0006369900000000, 0.0020775700000000 ] - [ 0.0001581300000000, -0.0003023400000000, 0.0005311000000000 ] - [ -0.0005826800000000, -0.0000902500000000, -0.0001215900000000 ] - [ -0.0012722700000000, -0.0004330900000000, 0.0002414000000000 ] - [ 0.0016074200000000, 0.0004190800000000, 0.0072810900000000 ] - [ 0.0006239000000000, 0.0000095100000000, -0.0001715900000000 ] - [ 0.0008715700000000, 0.0001951200000000, -0.0005309700000000 ] - [ 0.0009650000000000, 0.0001745000000000, 0.0004422500000000 ] - [ -0.0001079700000000, -0.0000433600000000, 0.0002707300000000 ] - [ -0.0003837800000000, 0.0004239500000000, 0.0002049000000000 ] - [ -0.0009296100000000, -0.0000210400000000, 0.0001222700000000 ] - [ -0.0001146700000000, -0.0002685800000000, 0.0001871900000000 ] - [ -0.0006122600000000, 0.0007229300000000, -0.0004677200000000 ] - [ -0.0000675200000000, -0.0001528400000000, 0.0000067400000000 ] - [ -0.0005777500000000, -0.0004256100000000, -0.0001276200000000 ] - [ -0.0006860500000000, 0.0000797900000000, -0.0001281900000000 ] - [ -0.0002028600000000, -0.0005661800000000, 0.0013885000000000 ] - [ 0.0000212200000000, -0.0001448200000000, 0.0000852600000000 ] - [ -0.0008603200000000, 0.0006504600000000, -0.0003317600000000 ] - [ -0.0000861000000000, -0.0001740700000000, -0.0002350500000000 ] - [ 0.0001452100000000, -0.0007570600000000, 0.0001715800000000 ] - [ -0.0005773000000000, 0.0016374600000000, 0.0008662000000000 ] - [ 0.0037019800000000, 0.0053951200000000, 0.0023674100000000 ] - [ 0.0005753100000000, -0.0016693800000000, -0.0002343900000000 ] - [ -0.0003794300000000, 0.0003873900000000, -0.0004093700000000 ] - [ -0.0007011100000000, -0.0009073100000000, -0.0005714600000000 ] - [ -0.0006313000000000, -0.0002605400000000, -0.0000495200000000 ] - [ -0.0004897300000000, -0.0000008600000000, 0.0003435300000000 ] - [ -0.0008737400000000, -0.0026655500000000, 0.0017139600000000 ] - [ -0.0000512300000000, 0.0006748500000000, 0.0001868700000000 ] - [ -0.0010053400000000, -0.0007241800000000, 0.0040363400000000 ] - [ -0.0002149700000000, -0.0001550200000000, 0.0003109900000000 ] - [ 0.0002812600000000, 0.0000946900000000, 0.0001937700000000 ] - [ -0.0017728300000000, -0.0007113600000000, -0.0037904800000000 ] - [ -0.0158538400000000, 0.0031234600000000, 0.0039752900000000 ] - [ -0.0000439500000000, -0.0002896500000000, 0.0000076400000000 ] - [ 0.0002018700000000, 0.0002647400000000, 0.0000915800000000 ] - [ 0.0004053000000000, -0.0000691600000000, 0.0000419100000000 ] - [ -0.0026415500000000, -0.0011226900000000, -0.0018428200000000 ] - [ -0.0003573500000000, 0.0003552900000000, -0.0001056500000000 ] - [ -0.0002787300000000, -0.0006452300000000, 0.0008133600000000 ] - [ -0.0003708800000000, -0.0001253800000000, 0.0006251400000000 ] - [ -0.0010613800000000, 0.0000474400000000, 0.0001739900000000 ] - [ -0.0012880200000000, 0.0001181400000000, 0.0002320000000000 ] - [ -0.0210175900000000, -0.0111282900000000, 0.0108852400000000 ] - [ 0.0006281200000000, -0.0001798800000000, -0.0000324400000000 ] - [ 0.0002734100000000, 0.0001677100000000, 0.0003530100000000 ] - [ 0.0010611600000000, -0.0002261000000000, 0.0005994900000000 ] - [ -0.0027067700000000, 0.0013676000000000, -0.0015740200000000 ] - [ 0.0002349600000000, -0.0000183300000000, 0.0000688600000000 ] - [ 0.0027946200000000, 0.0078530700000000, -0.0068868400000000 ] - [ 0.0008106000000000, -0.0000036300000000, -0.0000855700000000 ] - [ -0.0003475700000000, 0.0000936800000000, 0.0001929100000000 ] - [ -0.0006186900000000, -0.0005821300000000, 0.0003185400000000 ] - [ -0.0048294100000000, 0.0000593900000000, 0.0001892400000000 ] - [ -0.0003207800000000, -0.0001382200000000, 0.0000923300000000 ] - [ 0.0010019200000000, 0.0003757700000000, -0.0004909600000000 ] - [ 0.0023409000000000, -0.0070388000000000, 0.0040445000000000 ] - [ 0.0006763800000000, -0.0002916300000000, -0.0002079300000000 ] - [ 0.0004445700000000, -0.0001381200000000, -0.0001867100000000 ] - [ -0.0008665300000000, -0.0008744800000000, 0.0000967200000000 ] - [ -0.0013357100000000, -0.0002133000000000, 0.0005016600000000 ] - [ 0.0003461600000000, 0.0006266200000000, -0.0002898300000000 ] - [ 0.0004844800000000, 0.0001674000000000, -0.0003517700000000 ] - [ 0.0012239000000000, -0.0004348600000000, -0.0016757700000000 ] - [ 0.0003402400000000, 0.0006357700000000, -0.0002154400000000 ] - [ 0.0001541500000000, -0.0006389700000000, -0.0002105100000000 ] - [ 0.0005488500000000, 0.0004712300000000, 0.0000819800000000 ] - [ -0.0005126400000000, 0.0002807600000000, -0.0009819700000000 ] - [ 0.0000247400000000, 0.0002742900000000, -0.0003891000000000 ] - [ -0.0002882300000000, 0.0009558000000000, -0.0002440100000000 ] - [ -0.0001742300000000, -0.0028569300000000, -0.0012086100000000 ] - [ 0.0007595400000000, 0.0000262400000000, 0.0014288800000000 ] - [ 0.0000886100000000, -0.0003492400000000, -0.0001682900000000 ] - [ 0.0094422900000000, 0.0056898500000000, 0.0022973900000000 ] - [ 0.0004571800000000, -0.0005476100000000, 0.0004339500000000 ] - [ -0.0003692800000000, -0.0000712500000000, 0.0000045700000000 ] - [ -0.0005325600000000, 0.0017775900000000, -0.0014061300000000 ] - [ 0.0083073100000000, -0.0060039600000000, 0.0126873000000000 ] - [ -0.0001027800000000, -0.0000263400000000, 0.0002364400000000 ] - [ 0.0010613100000000, -0.0005899900000000, 0.0003501600000000 ] - [ 0.0004569400000000, 0.0007441400000000, -0.0000365500000000 ] - [ -0.0067068700000000, -0.0029384000000000, 0.0055612900000000 ] - [ -0.0054245100000000, 0.0030577400000000, 0.0005899800000000 ] - [ 0.0014200200000000, -0.0014036300000000, -0.0042731500000000 ] - [ -0.0007159800000000, 0.0004227000000000, -0.0003548700000000 ] - [ 0.0003296400000000, 0.0006172300000000, -0.0003349900000000 ] - [ 0.0006743700000000, -0.0000770200000000, -0.0002860600000000 ] - [ 0.0007804900000000, 0.0003881500000000, -0.0000433100000000 ] - [ 0.0023319600000000, -0.0001099000000000, -0.0002888800000000 ] - [ 0.0007778100000000, -0.0003760000000000, 0.0002138300000000 ] - [ 0.0012621100000000, 0.0003989900000000, -0.0001716800000000 ] - [ -0.0243490700000000, -0.0082844600000000, 0.0119377700000000 ] - [ -0.0009434000000000, -0.0001508900000000, 0.0006253700000000 ] - [ -0.0012920800000000, 0.0005781200000000, -0.0007014800000000 ] - [ -0.0013208700000000, -0.0012668500000000, -0.0015493900000000 ] - [ 0.0030045300000000, 0.0003703600000000, 0.0010705800000000 ] - [ 0.0009515600000000, 0.0001266600000000, 0.0001392500000000 ] - [ -0.0002971800000000, 0.0021556300000000, -0.0028731800000000 ] - [ 0.0001095200000000, -0.0017516300000000, -0.0008906900000000 ] - [ -0.0531279400000000, -0.0022870000000000, 0.0513473200000000 ] - [ -0.0007180800000000, 0.0007345200000000, 0.0002877100000000 ] - [ 0.0002585600000000, -0.0001748600000000, 0.0000062500000000 ] - [ 0.0020873000000000, 0.0004297100000000, 0.0023772200000000 ] - [ 0.0063531100000000, 0.0000734900000000, 0.0001397300000000 ] - [ 0.0009914800000000, 0.0001862100000000, -0.0002979100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0224391300000000, -0.1158405800000000, 0.0774956100000000 ] - [ 0.0001543400000000, 0.0022782400000000, -0.0003474000000000 ] - [ -0.0000926900000000, 0.0001868100000000, 0.0000131800000000 ] - [ 0.0000215000000000, -0.0005192000000000, -0.0004764000000000 ] - [ 0.0001371700000000, -0.0000182400000000, 0.0002638700000000 ] - [ -0.0000075900000000, 0.0000174600000000, 0.0000351600000000 ] - [ 0.0001537900000000, 0.0003127800000000, -0.0001977200000000 ] - [ -0.0005692600000000, 0.0003121200000000, -0.0008945900000000 ] - [ -0.0000637300000000, 0.0000662400000000, 0.0000448000000000 ] - [ 0.0000556300000000, 0.0001796000000000, 0.0000803400000000 ] - [ 0.0022321100000000, 0.0024519100000000, -0.0042544300000000 ] - [ -0.0005448300000000, 0.0005204800000000, 0.0009919500000000 ] - [ -0.0004525400000000, 0.0015340600000000, -0.0003815200000000 ] - [ -0.0028745600000000, -0.0008501400000000, -0.0086565700000000 ] - [ 0.0004811500000000, -0.0004671700000000, -0.0004159800000000 ] - [ 0.0000211600000000, 0.0004682900000000, 0.0001819600000000 ] - [ 0.0019811800000000, 0.0107668300000000, 0.0018951700000000 ] - [ -0.0005406700000000, 0.0045604700000000, 0.0019108900000000 ] - [ -0.0001782200000000, 0.0002235200000000, 0.0000823500000000 ] - [ -0.0001553900000000, 0.0003794100000000, -0.0000104400000000 ] - [ 0.0002001400000000, 0.0006298300000000, 0.0000392200000000 ] - [ 0.0002959500000000, -0.0004530800000000, 0.0007963200000000 ] - [ -0.0005366200000000, -0.0014712100000000, -0.0028211100000000 ] - [ -0.0002110700000000, 0.0004629200000000, 0.0004162300000000 ] - [ -0.0002739600000000, 0.0002179400000000, -0.0001480300000000 ] - [ 0.0000342000000000, -0.0004783400000000, 0.0002856300000000 ] - [ 0.0014961800000000, -0.0038514000000000, -0.0007255000000000 ] - [ 0.0001590600000000, 0.0011050100000000, 0.0003902700000000 ] - [ 0.0002949800000000, 0.0013308600000000, 0.0026108500000000 ] - [ -0.0014918600000000, 0.0010575700000000, -0.0017146600000000 ] - [ 0.0000951600000000, 0.0006473600000000, 0.0001690400000000 ] - [ -0.0015554400000000, 0.0004134500000000, -0.0006062100000000 ] - [ 0.0003909500000000, -0.0000651700000000, -0.0002628300000000 ] - [ 0.0002315300000000, 0.0000088600000000, -0.0000044100000000 ] - [ -0.0001033500000000, -0.0006308900000000, -0.0002799700000000 ] - [ -0.0000550900000000, 0.0005386600000000, 0.0000016600000000 ] - [ 0.0003326400000000, 0.0007311200000000, 0.0000625500000000 ] - [ -0.0002789500000000, -0.0003595900000000, 0.0001263900000000 ] - [ -0.0001324800000000, -0.0014209200000000, -0.0008588400000000 ] - [ -0.0000021200000000, 0.0009667000000000, 0.0001223100000000 ] - [ 0.0003897700000000, -0.0008593800000000, 0.0000310400000000 ] - [ -0.0000538900000000, 0.0006467700000000, -0.0002223600000000 ] - [ -0.0001602200000000, 0.0014539200000000, -0.0004775300000000 ] - [ -0.0001101700000000, -0.0013785900000000, -0.0002551700000000 ] - [ -0.0032075300000000, -0.0016507600000000, 0.0066880800000000 ] - [ 0.0005254200000000, 0.0045777300000000, -0.0007562800000000 ] - [ -0.0003799400000000, 0.0004056800000000, -0.0004081700000000 ] - [ 0.0000189600000000, -0.0001919000000000, -0.0003163700000000 ] - [ -0.0000499900000000, -0.0001032700000000, 0.0003374800000000 ] - [ -0.0006656700000000, 0.0001860600000000, 0.0003377000000000 ] - [ 0.0009835200000000, 0.0003828500000000, -0.0002278800000000 ] - [ -0.0001067300000000, 0.0002247800000000, 0.0004401000000000 ] - [ 0.0007448600000000, -0.0017426900000000, -0.0005980100000000 ] - [ -0.0002015400000000, 0.0012549400000000, -0.0000703200000000 ] - [ 0.0003062500000000, 0.0008009000000000, 0.0005175400000000 ] - [ 0.0005816300000000, -0.0021430300000000, 0.0006479000000000 ] - [ 0.0018354800000000, -0.0066368000000000, 0.0028078900000000 ] - [ 0.0001010400000000, 0.0007212500000000, 0.0001300400000000 ] - [ -0.0001096000000000, 0.0006311500000000, 0.0001677700000000 ] - [ 0.0005492700000000, -0.0002802100000000, -0.0006156000000000 ] - [ 0.0010760600000000, 0.0002938700000000, 0.0009470500000000 ] - [ -0.0005971100000000, 0.0004626600000000, 0.0000991900000000 ] - [ 0.0002942300000000, -0.0001104100000000, -0.0001207100000000 ] - [ -0.0001259300000000, -0.0001429200000000, -0.0001403800000000 ] - [ -0.0002495200000000, 0.0003397900000000, 0.0000410900000000 ] - [ -0.0009147700000000, 0.0000463200000000, 0.0001092200000000 ] - [ 0.0066402400000000, -0.0007951400000000, -0.0022778700000000 ] - [ -0.0000642400000000, 0.0008099500000000, 0.0003389300000000 ] - [ -0.0009112000000000, 0.0005579300000000, 0.0005013000000000 ] - [ 0.0002634300000000, -0.0001571300000000, -0.0014696500000000 ] - [ -0.0013342300000000, -0.0009530300000000, 0.0004918600000000 ] - [ 0.0008488600000000, 0.0005512000000000, 0.0002458300000000 ] - [ -0.0090265300000000, 0.0031872800000000, -0.0060718200000000 ] - [ 0.0009140400000000, 0.0014933800000000, 0.0004385400000000 ] - [ -0.0004525200000000, 0.0000519600000000, 0.0001486500000000 ] - [ 0.0007570000000000, -0.0002914200000000, -0.0003270700000000 ] - [ 0.0017578800000000, -0.0005164200000000, 0.0000279400000000 ] - [ -0.0001329600000000, 0.0001891100000000, 0.0001833000000000 ] - [ -0.0012531700000000, 0.0028771900000000, 0.0010221200000000 ] - [ 0.0052554700000000, 0.0131992400000000, -0.0105442200000000 ] - [ 0.0002263000000000, 0.0000820700000000, -0.0001641500000000 ] - [ 0.0003003400000000, -0.0004583100000000, -0.0001753600000000 ] - [ -0.0000772400000000, -0.0018004200000000, 0.0005733500000000 ] - [ -0.0008452900000000, -0.0005664700000000, -0.0020538300000000 ] - [ -0.0003448200000000, 0.0000990000000000, -0.0001591300000000 ] - [ -0.0000751000000000, 0.0007235900000000, -0.0000868100000000 ] - [ 0.0004104800000000, 0.0009617300000000, -0.0002634900000000 ] - [ -0.0001626600000000, -0.0001074300000000, -0.0000305300000000 ] - [ 0.0000902700000000, -0.0005922900000000, -0.0002138000000000 ] - [ -0.0007740400000000, -0.0000191800000000, -0.0004888600000000 ] - [ 0.0000271300000000, 0.0012175700000000, -0.0003528500000000 ] - [ 0.0002450500000000, -0.0004706900000000, 0.0001386500000000 ] - [ -0.0010210200000000, -0.0014901600000000, 0.0004387800000000 ] - [ 0.0025009000000000, 0.0011348700000000, -0.0022558600000000 ] - [ 0.0002799100000000, 0.0009016900000000, -0.0007840800000000 ] - [ 0.0004435000000000, -0.0011276600000000, -0.0000589100000000 ] - [ -0.0037353200000000, -0.0013915700000000, -0.0005372500000000 ] - [ 0.0008938900000000, -0.0006646400000000, -0.0001169900000000 ] - [ 0.0005104300000000, -0.0009653200000000, 0.0000421200000000 ] - [ -0.0018374000000000, 0.0008453300000000, 0.0021806000000000 ] - [ 0.0069095200000000, 0.0101798900000000, -0.0039393300000000 ] - [ -0.0008398400000000, -0.0016112300000000, -0.0001363800000000 ] - [ -0.0000973400000000, 0.0002376700000000, 0.0003856200000000 ] - [ -0.0000490300000000, -0.0001644900000000, 0.0000633100000000 ] - [ 0.0036646300000000, -0.0054256000000000, -0.0095915800000000 ] - [ 0.0051465900000000, -0.0101596500000000, 0.0029983200000000 ] - [ -0.0006860800000000, 0.0022276800000000, 0.0025068600000000 ] - [ 0.0000085100000000, -0.0018981300000000, -0.0002304200000000 ] - [ -0.0005517200000000, -0.0002664200000000, 0.0002166700000000 ] - [ 0.0010392200000000, -0.0004527800000000, 0.0003957800000000 ] - [ 0.0000337300000000, -0.0007839800000000, 0.0000261500000000 ] - [ 0.0000232600000000, 0.0010678500000000, -0.0006404000000000 ] - [ -0.0001236300000000, -0.0004447400000000, 0.0000502100000000 ] - [ -0.0007515200000000, 0.0003004500000000, 0.0001781700000000 ] - [ 0.0123407400000000, 0.0767430300000000, -0.0462148100000000 ] - [ -0.0001287300000000, -0.0045789100000000, -0.0026231900000000 ] - [ 0.0000238900000000, -0.0024788000000000, -0.0010786500000000 ] - [ 0.0014210800000000, -0.0014333000000000, 0.0054528100000000 ] - [ -0.0009642700000000, 0.0001584700000000, -0.0010002300000000 ] - [ 0.0005079800000000, -0.0002040300000000, -0.0002197800000000 ] - [ -0.0018999600000000, -0.0006269900000000, 0.0018974600000000 ] - [ 0.0012614200000000, -0.0001052800000000, -0.0001920700000000 ] - [ -0.0027985100000000, 0.0257587700000000, -0.0008766300000000 ] - [ -0.0001323700000000, -0.0060277500000000, -0.0001488500000000 ] - [ 0.0002008700000000, -0.0010353100000000, -0.0003324300000000 ] - [ -0.0005886600000000, 0.0013184000000000, 0.0007535000000000 ] - [ -0.0001212100000000, 0.0008406500000000, 0.0000663300000000 ] - [ 0.0001508800000000, -0.0007825500000000, -0.0001583500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0239981700000000, 0.1187391100000000, -0.0814350500000000 ] - [ -0.0000209700000000, -0.0020772100000000, 0.0002472200000000 ] - [ -0.0000375500000000, -0.0003902700000000, -0.0001110200000000 ] - [ -0.0001515800000000, 0.0003163600000000, 0.0003812700000000 ] - [ -0.0000133800000000, -0.0001826800000000, -0.0003628500000000 ] - [ 0.0001351600000000, -0.0002249700000000, -0.0001336400000000 ] - [ -0.0002831200000000, -0.0001109900000000, 0.0001068700000000 ] - [ 0.0004437000000000, -0.0001116900000000, 0.0008053400000000 ] - [ -0.0001656700000000, 0.0000994200000000, -0.0000612300000000 ] - [ -0.0002851400000000, -0.0000199200000000, -0.0000982200000000 ] - [ -0.0020112600000000, -0.0026168500000000, 0.0042483800000000 ] - [ 0.0007687700000000, -0.0006831200000000, -0.0010059400000000 ] - [ 0.0002278200000000, -0.0016998300000000, 0.0003631100000000 ] - [ 0.0026618200000000, 0.0006055700000000, 0.0087028200000000 ] - [ -0.0002632400000000, 0.0006297900000000, 0.0004001500000000 ] - [ 0.0002039300000000, -0.0003065800000000, -0.0001969500000000 ] - [ -0.0016727600000000, -0.0115095800000000, -0.0015527400000000 ] - [ 0.0009035500000000, -0.0050056500000000, -0.0015012400000000 ] - [ -0.0001880100000000, 0.0002331100000000, 0.0003342800000000 ] - [ -0.0002083800000000, 0.0000771100000000, 0.0004277600000000 ] - [ 0.0001614000000000, -0.0001739600000000, 0.0003791200000000 ] - [ 0.0000614000000000, 0.0009135100000000, -0.0003937900000000 ] - [ 0.0001837300000000, 0.0010206500000000, 0.0032747500000000 ] - [ -0.0001516600000000, -0.0009227500000000, -0.0000009700000000 ] - [ -0.0002461500000000, -0.0004103800000000, 0.0001329100000000 ] - [ -0.0005472000000000, 0.0002833600000000, -0.0002898000000000 ] - [ -0.0009736300000000, 0.0041109100000000, 0.0007834600000000 ] - [ 0.0003534200000000, -0.0009161800000000, -0.0003993300000000 ] - [ -0.0007990200000000, -0.0011337900000000, -0.0026427700000000 ] - [ 0.0009805800000000, -0.0008817400000000, 0.0016942600000000 ] - [ -0.0004647900000000, -0.0002946700000000, 0.0000075700000000 ] - [ 0.0012064000000000, -0.0000768200000000, 0.0007920100000000 ] - [ 0.0001150500000000, -0.0001234300000000, 0.0002502500000000 ] - [ 0.0002788800000000, -0.0002029000000000, -0.0000046100000000 ] - [ 0.0000651300000000, 0.0008614400000000, 0.0002716500000000 ] - [ 0.0000261300000000, -0.0003205800000000, -0.0000105800000000 ] - [ -0.0002969300000000, -0.0005070300000000, -0.0000715400000000 ] - [ 0.0003091100000000, 0.0005718100000000, -0.0001351800000000 ] - [ 0.0000910500000000, 0.0012074200000000, 0.0008597700000000 ] - [ -0.0000351600000000, -0.0011912300000000, -0.0001291200000000 ] - [ -0.0001309300000000, 0.0008011200000000, -0.0004508300000000 ] - [ 0.0003269300000000, -0.0007250200000000, -0.0002050700000000 ] - [ -0.0001131800000000, -0.0013907200000000, 0.0000557700000000 ] - [ -0.0001622700000000, 0.0014588400000000, -0.0001627700000000 ] - [ 0.0035284600000000, 0.0018223300000000, -0.0071659900000000 ] - [ -0.0002469600000000, -0.0045102700000000, 0.0003218500000000 ] - [ 0.0001097700000000, -0.0004784700000000, -0.0000169500000000 ] - [ -0.0002880100000000, 0.0001152900000000, -0.0001049500000000 ] - [ -0.0004625500000000, 0.0000285400000000, 0.0001146300000000 ] - [ 0.0001569800000000, -0.0002493300000000, 0.0001189700000000 ] - [ -0.0004821500000000, -0.0003155300000000, 0.0006857400000000 ] - [ 0.0006142600000000, -0.0001407800000000, 0.0000078800000000 ] - [ -0.0012757600000000, 0.0018097100000000, 0.0010911100000000 ] - [ -0.0003064900000000, -0.0011811600000000, 0.0005201600000000 ] - [ 0.0002064400000000, -0.0008741800000000, -0.0000620100000000 ] - [ -0.0000750200000000, 0.0020682100000000, -0.0002204000000000 ] - [ -0.0021326000000000, 0.0062210200000000, -0.0025694000000000 ] - [ -0.0002583500000000, -0.0011786200000000, 0.0001157100000000 ] - [ 0.0002716700000000, -0.0001746500000000, 0.0000839000000000 ] - [ -0.0003946200000000, 0.0007347700000000, 0.0008644400000000 ] - [ -0.0012473000000000, 0.0001594100000000, -0.0007147700000000 ] - [ 0.0004367100000000, -0.0000051400000000, 0.0001547400000000 ] - [ -0.0001377900000000, -0.0003475400000000, 0.0003738500000000 ] - [ 0.0002840100000000, -0.0003129100000000, 0.0003848400000000 ] - [ -0.0006869900000000, -0.0000198400000000, 0.0001566100000000 ] - [ -0.0000277200000000, 0.0002674100000000, 0.0000905800000000 ] - [ -0.0058073500000000, 0.0005160200000000, 0.0024778300000000 ] - [ 0.0009866800000000, -0.0011395700000000, -0.0001414700000000 ] - [ -0.0000136900000000, -0.0008786000000000, -0.0003010900000000 ] - [ -0.0012011100000000, -0.0001753600000000, 0.0016725900000000 ] - [ 0.0022632700000000, 0.0012962000000000, -0.0003126800000000 ] - [ 0.0000871000000000, -0.0002354400000000, -0.0000475000000000 ] - [ 0.0096132000000000, -0.0028819900000000, 0.0063413600000000 ] - [ -0.0005434500000000, -0.0011378400000000, -0.0002623100000000 ] - [ 0.0000847100000000, -0.0004053400000000, 0.0000285500000000 ] - [ -0.0011273700000000, -0.0000641400000000, 0.0005057400000000 ] - [ -0.0014194800000000, 0.0001683300000000, 0.0001498900000000 ] - [ 0.0005038200000000, -0.0005509400000000, -0.0000085500000000 ] - [ 0.0013063700000000, -0.0030970700000000, -0.0010449500000000 ] - [ -0.0050790600000000, -0.0132677600000000, 0.0104135200000000 ] - [ 0.0002995700000000, -0.0004810600000000, -0.0002330800000000 ] - [ 0.0002254900000000, 0.0000622500000000, -0.0002217800000000 ] - [ -0.0002797900000000, 0.0009989800000000, -0.0009413000000000 ] - [ 0.0004883400000000, -0.0002385100000000, 0.0016871100000000 ] - [ -0.0000040500000000, 0.0007113300000000, -0.0002049500000000 ] - [ -0.0002753800000000, 0.0000849600000000, -0.0002785600000000 ] - [ -0.0000493600000000, -0.0001606400000000, -0.0001117500000000 ] - [ 0.0005144200000000, 0.0009188700000000, -0.0003318500000000 ] - [ -0.0006145500000000, 0.0001922200000000, -0.0001813200000000 ] - [ 0.0002546500000000, -0.0003730900000000, 0.0000962100000000 ] - [ 0.0004937300000000, -0.0008271000000000, -0.0000540300000000 ] - [ 0.0002782700000000, 0.0008699400000000, -0.0005354200000000 ] - [ 0.0005054500000000, 0.0018979700000000, -0.0008407300000000 ] - [ -0.0030930100000000, -0.0006893500000000, 0.0018905700000000 ] - [ 0.0000646700000000, -0.0017195300000000, 0.0004219600000000 ] - [ -0.0000920400000000, 0.0003230800000000, -0.0003026600000000 ] - [ 0.0039356100000000, 0.0014588800000000, 0.0007266400000000 ] - [ -0.0007131600000000, 0.0007323400000000, 0.0003090600000000 ] - [ -0.0006901100000000, 0.0010315600000000, 0.0001508100000000 ] - [ 0.0016665000000000, -0.0007662300000000, -0.0020039700000000 ] - [ -0.0067388500000000, -0.0103591900000000, 0.0042719600000000 ] - [ 0.0010180100000000, 0.0015422000000000, 0.0003273100000000 ] - [ -0.0001656900000000, -0.0000686600000000, -0.0005275100000000 ] - [ -0.0002146200000000, 0.0003459900000000, -0.0002061600000000 ] - [ -0.0035033600000000, 0.0052116800000000, 0.0096031300000000 ] - [ -0.0048947500000000, 0.0099953200000000, -0.0031119500000000 ] - [ 0.0004275100000000, -0.0024141400000000, -0.0026727100000000 ] - [ -0.0002702100000000, 0.0017311600000000, 0.0000899900000000 ] - [ 0.0003801300000000, 0.0002014600000000, -0.0000321400000000 ] - [ -0.0012224500000000, 0.0003908200000000, -0.0002116500000000 ] - [ 0.0002340900000000, 0.0009604200000000, -0.0001650100000000 ] - [ 0.0002504900000000, -0.0008953700000000, 0.0005066200000000 ] - [ -0.0001563400000000, 0.0003139900000000, -0.0001081900000000 ] - [ 0.0004736800000000, -0.0004227300000000, -0.0002391100000000 ] - [ -0.0131409800000000, -0.0792646000000000, 0.0493925700000000 ] - [ 0.0004120900000000, 0.0047102700000000, 0.0025627800000000 ] - [ -0.0003162300000000, 0.0026117000000000, 0.0010214100000000 ] - [ -0.0017229800000000, 0.0016109100000000, -0.0055545800000000 ] - [ 0.0009270700000000, -0.0000061300000000, 0.0008424500000000 ] - [ -0.0005579400000000, 0.0003672700000000, 0.0000608400000000 ] - [ 0.0019744700000000, 0.0004744700000000, -0.0020859200000000 ] - [ -0.0012057600000000, -0.0000506200000000, 0.0000157400000000 ] - [ 0.0024391300000000, -0.0259168700000000, 0.0010887800000000 ] - [ 0.0000725500000000, 0.0058851100000000, -0.0000076300000000 ] - [ -0.0001506600000000, 0.0011946700000000, 0.0001647300000000 ] - [ 0.0006506600000000, -0.0011648900000000, -0.0009137000000000 ] - [ 0.0004312800000000, -0.0009737600000000, -0.0001178000000000 ] - [ 0.0001346000000000, 0.0006589000000000, 0.0000998500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0960629700000000, 0.0807039800000000, -0.2072671000000000 ] - [ 0.0004678500000000, -0.0001885900000000, -0.0010091000000000 ] - [ -0.0002087000000000, -0.0001634700000000, 0.0001922200000000 ] - [ -0.0001278000000000, 0.0003246800000000, 0.0008571200000000 ] - [ -0.0002176600000000, -0.0004131600000000, -0.0007712800000000 ] - [ -0.0000007700000000, -0.0001893200000000, -0.0002606800000000 ] - [ 0.0005483700000000, -0.0007499500000000, 0.0019161200000000 ] - [ 0.0006776500000000, -0.0000441600000000, 0.0019113900000000 ] - [ -0.0005810800000000, 0.0001081400000000, -0.0001807700000000 ] - [ -0.0004989800000000, -0.0000874400000000, -0.0002031200000000 ] - [ -0.0015156100000000, -0.0046197200000000, 0.0029252300000000 ] - [ 0.0003055900000000, 0.0010319200000000, -0.0004665300000000 ] - [ 0.0004343900000000, -0.0005217500000000, 0.0004898400000000 ] - [ 0.0048144800000000, -0.0091152700000000, 0.0192943900000000 ] - [ -0.0000838700000000, 0.0004647100000000, 0.0004625100000000 ] - [ 0.0000423300000000, -0.0001625300000000, -0.0000595200000000 ] - [ 0.0018422300000000, -0.0029137900000000, -0.0081198300000000 ] - [ 0.0012789200000000, -0.0015245400000000, -0.0026458000000000 ] - [ -0.0003119600000000, -0.0000116300000000, 0.0007327800000000 ] - [ -0.0002943900000000, 0.0000791700000000, 0.0006617000000000 ] - [ 0.0000468200000000, 0.0000218800000000, 0.0001632800000000 ] - [ -0.0006011200000000, 0.0009528600000000, -0.0009050000000000 ] - [ 0.0006060900000000, 0.0032411200000000, 0.0105386100000000 ] - [ 0.0002508400000000, -0.0004192300000000, 0.0009017900000000 ] - [ -0.0005474300000000, -0.0002093600000000, -0.0000639000000000 ] - [ -0.0009819600000000, 0.0000283500000000, -0.0002450900000000 ] - [ -0.0093890900000000, -0.0003227000000000, 0.0252176700000000 ] - [ 0.0004991200000000, -0.0002279900000000, -0.0002724900000000 ] - [ 0.0012523100000000, 0.0015687200000000, 0.0000101300000000 ] - [ 0.0010135300000000, -0.0024242200000000, 0.0005143500000000 ] - [ 0.0003047800000000, -0.0001507100000000, 0.0005958600000000 ] - [ 0.0021316500000000, -0.0008938800000000, 0.0017971900000000 ] - [ -0.0002720500000000, -0.0004185600000000, 0.0004276000000000 ] - [ 0.0001596500000000, -0.0000570700000000, 0.0000359000000000 ] - [ 0.0002367800000000, 0.0002287300000000, 0.0006179800000000 ] - [ -0.0000834900000000, 0.0000829400000000, 0.0001270200000000 ] - [ -0.0003400300000000, -0.0005289000000000, -0.0002260800000000 ] - [ 0.0000225900000000, 0.0004071600000000, -0.0003169600000000 ] - [ -0.0016637300000000, -0.0008326700000000, 0.0020953100000000 ] - [ -0.0000098800000000, -0.0004793300000000, 0.0002396600000000 ] - [ -0.0002022500000000, 0.0007000100000000, -0.0006098400000000 ] - [ 0.0001685700000000, -0.0004496100000000, -0.0003264000000000 ] - [ 0.0000003100000000, -0.0014683000000000, 0.0003710600000000 ] - [ -0.0018729300000000, 0.0034813300000000, 0.0014944600000000 ] - [ -0.0011459300000000, 0.0115778000000000, 0.0038313800000000 ] - [ 0.0000752700000000, -0.0035708700000000, -0.0002799600000000 ] - [ -0.0000357600000000, -0.0006591500000000, 0.0000979400000000 ] - [ 0.0000039100000000, 0.0004995800000000, 0.0002468300000000 ] - [ -0.0001969900000000, -0.0000227200000000, 0.0001087200000000 ] - [ 0.0001293900000000, -0.0002672600000000, 0.0001913100000000 ] - [ -0.0010090800000000, -0.0020254800000000, 0.0009150700000000 ] - [ -0.0000100800000000, 0.0007625600000000, -0.0001639800000000 ] - [ -0.0042461500000000, -0.0005780200000000, 0.0057000500000000 ] - [ -0.0006467900000000, -0.0004920900000000, 0.0007907700000000 ] - [ 0.0002444100000000, -0.0005516800000000, -0.0000249800000000 ] - [ 0.0028420100000000, 0.0009279300000000, 0.0003527300000000 ] - [ -0.0071564500000000, 0.0032095800000000, -0.0082137300000000 ] - [ -0.0005666300000000, -0.0003209600000000, -0.0006832300000000 ] - [ -0.0001217300000000, 0.0001613100000000, 0.0008232100000000 ] - [ -0.0001992500000000, 0.0007498000000000, 0.0025423300000000 ] - [ -0.0014633800000000, -0.0006231900000000, -0.0021769600000000 ] - [ 0.0000832700000000, 0.0001710300000000, -0.0002900500000000 ] - [ -0.0002278000000000, -0.0008237800000000, 0.0010654000000000 ] - [ -0.0001833700000000, -0.0002594500000000, 0.0013489400000000 ] - [ -0.0007098100000000, -0.0000321500000000, 0.0002814600000000 ] - [ -0.0001012500000000, 0.0001431100000000, 0.0002714000000000 ] - [ -0.0172780000000000, -0.0074043800000000, 0.0009011300000000 ] - [ 0.0008848100000000, -0.0003626100000000, -0.0003114200000000 ] - [ -0.0000426900000000, 0.0005587000000000, 0.0010646500000000 ] - [ -0.0014098400000000, -0.0012077800000000, 0.0024603100000000 ] - [ 0.0018206600000000, 0.0012447600000000, -0.0013384300000000 ] - [ 0.0001431000000000, 0.0000308000000000, -0.0001750600000000 ] - [ 0.0115161800000000, -0.0068699600000000, 0.0006149600000000 ] - [ 0.0001812800000000, 0.0000993200000000, -0.0005468000000000 ] - [ -0.0009000800000000, 0.0000018100000000, 0.0004488900000000 ] - [ -0.0016457600000000, -0.0004990800000000, 0.0007864500000000 ] - [ -0.0036820000000000, -0.0001007200000000, -0.0000869800000000 ] - [ 0.0001079700000000, -0.0002920400000000, -0.0000684500000000 ] - [ 0.0004441500000000, 0.0015615500000000, -0.0010734400000000 ] - [ -0.0017707800000000, -0.0117218100000000, 0.0035429800000000 ] - [ 0.0004156600000000, -0.0003961700000000, -0.0004030300000000 ] - [ 0.0003014700000000, -0.0000494400000000, -0.0002740500000000 ] - [ -0.0003593300000000, 0.0010598500000000, -0.0008167100000000 ] - [ -0.0015733400000000, -0.0027355500000000, -0.0013799500000000 ] - [ 0.0001482000000000, 0.0007834100000000, -0.0002791600000000 ] - [ 0.0001591600000000, -0.0000612300000000, -0.0003648400000000 ] - [ 0.0016313700000000, 0.0000262800000000, -0.0006026800000000 ] - [ 0.0006180500000000, 0.0007655600000000, -0.0002521500000000 ] - [ -0.0004120900000000, 0.0001132200000000, 0.0000126700000000 ] - [ 0.0000351700000000, -0.0003302300000000, 0.0003819800000000 ] - [ -0.0000941500000000, -0.0003275700000000, -0.0028861300000000 ] - [ 0.0001462800000000, 0.0006573700000000, -0.0007632700000000 ] - [ -0.0002697000000000, 0.0010755200000000, 0.0001041400000000 ] - [ 0.0005513900000000, -0.0021629600000000, 0.0024876400000000 ] - [ -0.0018806800000000, -0.0016594800000000, -0.0002755600000000 ] - [ -0.0002677100000000, 0.0000399700000000, -0.0001876500000000 ] - [ 0.0067888200000000, 0.0048100100000000, 0.0030718300000000 ] - [ -0.0001319400000000, -0.0002827900000000, 0.0008620900000000 ] - [ 0.0004696300000000, -0.0000469700000000, -0.0010510800000000 ] - [ 0.0021022200000000, 0.0011146900000000, -0.0045024600000000 ] - [ -0.0121682100000000, -0.0063229000000000, 0.0119471200000000 ] - [ 0.0004004400000000, 0.0003809500000000, 0.0012288100000000 ] - [ -0.0000520600000000, 0.0003940400000000, -0.0008176800000000 ] - [ -0.0002439800000000, -0.0001301800000000, -0.0005852300000000 ] - [ -0.0076506300000000, -0.0098712300000000, 0.0085504900000000 ] - [ -0.0053629900000000, 0.0082381400000000, 0.0014127900000000 ] - [ 0.0086450100000000, -0.0039298000000000, -0.0111887200000000 ] - [ -0.0007905300000000, 0.0010299100000000, -0.0007867400000000 ] - [ -0.0001922000000000, 0.0006164600000000, -0.0008838300000000 ] - [ -0.0014253400000000, 0.0011143300000000, -0.0010664900000000 ] - [ 0.0005232800000000, 0.0006781600000000, 0.0001366100000000 ] - [ 0.0008546000000000, -0.0006170100000000, 0.0008489200000000 ] - [ 0.0009350900000000, 0.0000945200000000, -0.0003961500000000 ] - [ 0.0011180100000000, -0.0002454300000000, -0.0006964400000000 ] - [ -0.0126921800000000, -0.0438598600000000, 0.0603210400000000 ] - [ -0.0002998300000000, 0.0006073100000000, 0.0026955400000000 ] - [ -0.0016664700000000, 0.0003348800000000, -0.0025189600000000 ] - [ -0.0036183200000000, 0.0065807700000000, -0.0122408100000000 ] - [ 0.0013081500000000, 0.0001763200000000, 0.0016246000000000 ] - [ -0.0000025700000000, 0.0002684800000000, 0.0005795300000000 ] - [ 0.0014962700000000, 0.0033238000000000, -0.0039995200000000 ] - [ 0.0000356200000000, -0.0025678200000000, -0.0020886500000000 ] - [ -0.0474959400000000, -0.0071207500000000, 0.0934248700000000 ] - [ 0.0000301900000000, 0.0016235800000000, 0.0007040500000000 ] - [ 0.0002924900000000, 0.0008455300000000, -0.0005263400000000 ] - [ -0.0002535100000000, -0.0010550800000000, -0.0031582500000000 ] - [ 0.0022434100000000, -0.0001536900000000, 0.0007811300000000 ] - [ 0.0005639000000000, 0.0003207100000000, 0.0002215700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0989794600000000, -0.0782289000000000, 0.2105419500000000 ] - [ -0.0003423800000000, 0.0004036400000000, 0.0009148000000000 ] - [ 0.0000806500000000, -0.0000421300000000, -0.0002912000000000 ] - [ 0.0000005100000000, -0.0005329900000000, -0.0009586500000000 ] - [ 0.0003463200000000, 0.0002097800000000, 0.0006754700000000 ] - [ 0.0001276200000000, -0.0000207400000000, 0.0001640700000000 ] - [ -0.0006768100000000, 0.0009521800000000, -0.0020128700000000 ] - [ -0.0008101100000000, 0.0002583400000000, -0.0020175900000000 ] - [ 0.0003501300000000, 0.0000630300000000, 0.0001690300000000 ] - [ 0.0002678200000000, 0.0002590200000000, 0.0001933700000000 ] - [ 0.0017650500000000, 0.0044695000000000, -0.0029769700000000 ] - [ -0.0000710100000000, -0.0012015900000000, 0.0004472700000000 ] - [ -0.0006673400000000, 0.0003576600000000, -0.0005032200000000 ] - [ -0.0051966800000000, 0.0090617800000000, -0.0196868600000000 ] - [ 0.0003148100000000, -0.0002968100000000, -0.0004781000000000 ] - [ 0.0001879000000000, 0.0003356800000000, 0.0000483400000000 ] - [ -0.0014712000000000, 0.0025600300000000, 0.0085408300000000 ] - [ -0.0009207800000000, 0.0010553900000000, 0.0030763600000000 ] - [ -0.0000554900000000, 0.0004689500000000, -0.0003198500000000 ] - [ -0.0000784400000000, 0.0003801500000000, -0.0002579000000000 ] - [ 0.0003200600000000, 0.0004343600000000, 0.0002529200000000 ] - [ 0.0009657400000000, -0.0004988600000000, 0.0013172500000000 ] - [ -0.0009731000000000, -0.0037013800000000, -0.0101350300000000 ] - [ -0.0006199600000000, -0.0000335000000000, -0.0004881200000000 ] - [ 0.0000309900000000, 0.0000177500000000, 0.0000488900000000 ] - [ 0.0004683700000000, -0.0002292200000000, 0.0002434900000000 ] - [ 0.0098537700000000, 0.0005343200000000, -0.0247651700000000 ] - [ 0.0000209900000000, 0.0004274600000000, 0.0002602000000000 ] - [ -0.0017728800000000, -0.0013757700000000, -0.0000036600000000 ] - [ -0.0015296300000000, 0.0026421400000000, -0.0005133600000000 ] - [ -0.0006685700000000, 0.0005014000000000, -0.0004162900000000 ] - [ -0.0025235800000000, 0.0012571200000000, -0.0016272900000000 ] - [ 0.0007861200000000, 0.0002243100000000, -0.0004410400000000 ] - [ 0.0003563400000000, -0.0001415300000000, -0.0000423900000000 ] - [ -0.0002698100000000, -0.0000103500000000, -0.0006330100000000 ] - [ 0.0000602500000000, 0.0001327700000000, -0.0001401500000000 ] - [ 0.0003744900000000, 0.0007587900000000, 0.0002174400000000 ] - [ 0.0000044900000000, -0.0001953900000000, 0.0003104100000000 ] - [ 0.0016043500000000, 0.0005901500000000, -0.0021107700000000 ] - [ -0.0000216100000000, 0.0002628100000000, -0.0002520400000000 ] - [ 0.0004655200000000, -0.0007708100000000, 0.0001953900000000 ] - [ 0.0001009500000000, 0.0003785800000000, -0.0000971500000000 ] - [ -0.0002676300000000, 0.0015444200000000, -0.0007955500000000 ] - [ 0.0015909000000000, -0.0033980300000000, -0.0019292800000000 ] - [ 0.0014550100000000, -0.0117200300000000, -0.0043054600000000 ] - [ 0.0001972700000000, 0.0036680200000000, -0.0001457900000000 ] - [ -0.0002308100000000, 0.0005923400000000, -0.0005213000000000 ] - [ -0.0002679900000000, -0.0005654000000000, -0.0006702300000000 ] - [ -0.0003094600000000, -0.0000361600000000, 0.0003481700000000 ] - [ -0.0006414300000000, 0.0002236800000000, 0.0002750200000000 ] - [ 0.0015168100000000, 0.0020958900000000, -0.0004723200000000 ] - [ 0.0005152100000000, -0.0006880100000000, 0.0006052800000000 ] - [ 0.0037442100000000, 0.0006358500000000, -0.0052364400000000 ] - [ 0.0001393200000000, 0.0005550300000000, -0.0003333100000000 ] - [ 0.0002598500000000, 0.0004834800000000, 0.0004725500000000 ] - [ -0.0023399700000000, -0.0009997100000000, 0.0000863100000000 ] - [ 0.0069991200000000, -0.0036805100000000, 0.0085907300000000 ] - [ 0.0004128300000000, -0.0001357900000000, 0.0009399700000000 ] - [ 0.0002775000000000, 0.0002916400000000, -0.0005904000000000 ] - [ 0.0003670900000000, -0.0002952500000000, -0.0023040200000000 ] - [ 0.0013161500000000, 0.0010802300000000, 0.0024290200000000 ] - [ -0.0002319600000000, 0.0002871200000000, 0.0005451500000000 ] - [ 0.0003821400000000, 0.0003683400000000, -0.0008249300000000 ] - [ 0.0003341300000000, -0.0001868000000000, -0.0011251500000000 ] - [ -0.0002268700000000, 0.0003556200000000, -0.0000828700000000 ] - [ -0.0008572000000000, 0.0001724700000000, -0.0000699200000000 ] - [ 0.0181297700000000, 0.0070739600000000, -0.0007845200000000 ] - [ 0.0000386300000000, 0.0000360100000000, 0.0005081900000000 ] - [ -0.0008995800000000, -0.0008912900000000, -0.0008664800000000 ] - [ 0.0005022400000000, 0.0008922900000000, -0.0022730200000000 ] - [ -0.0008977500000000, -0.0009181600000000, 0.0015344800000000 ] - [ 0.0007792100000000, 0.0003024300000000, 0.0003731400000000 ] - [ -0.0111018900000000, 0.0071638200000000, -0.0004918100000000 ] - [ 0.0001923800000000, 0.0002619000000000, 0.0007232800000000 ] - [ 0.0005429400000000, -0.0003482800000000, -0.0002682100000000 ] - [ 0.0012894300000000, 0.0001409000000000, -0.0006118000000000 ] - [ 0.0040535600000000, -0.0002557800000000, 0.0002637300000000 ] - [ 0.0002696600000000, -0.0000669100000000, 0.0002448600000000 ] - [ -0.0004220400000000, -0.0017832200000000, 0.0010780600000000 ] - [ 0.0018742700000000, 0.0117096200000000, -0.0035484800000000 ] - [ 0.0001085700000000, 0.0000019400000000, 0.0000101600000000 ] - [ 0.0002234200000000, -0.0003493300000000, -0.0001192000000000 ] - [ 0.0000074500000000, -0.0018741500000000, 0.0004598100000000 ] - [ 0.0012187900000000, 0.0019263300000000, 0.0010302200000000 ] - [ -0.0004996200000000, 0.0000241200000000, -0.0000820800000000 ] - [ -0.0005096600000000, 0.0008718700000000, 0.0000048900000000 ] - [ -0.0012847600000000, 0.0007810100000000, 0.0002328500000000 ] - [ -0.0002682700000000, 0.0000425400000000, -0.0001109700000000 ] - [ -0.0001106600000000, -0.0005134500000000, -0.0004079500000000 ] - [ -0.0005586300000000, -0.0000629100000000, -0.0007783000000000 ] - [ 0.0006170300000000, 0.0007334800000000, 0.0024959200000000 ] - [ 0.0003791200000000, -0.0002669300000000, 0.0003692400000000 ] - [ -0.0002599900000000, -0.0006898700000000, -0.0004914700000000 ] - [ -0.0011085100000000, 0.0025873300000000, -0.0028579700000000 ] - [ 0.0022400800000000, 0.0008593500000000, -0.0000994500000000 ] - [ 0.0006204200000000, -0.0008526600000000, -0.0001761000000000 ] - [ -0.0066547200000000, -0.0047733900000000, -0.0028928700000000 ] - [ 0.0003112100000000, 0.0003359500000000, -0.0006715000000000 ] - [ -0.0006519800000000, 0.0001030300000000, 0.0012429500000000 ] - [ -0.0023045200000000, -0.0010619400000000, 0.0047056400000000 ] - [ 0.0124140100000000, 0.0062682800000000, -0.0117182200000000 ] - [ -0.0002205200000000, -0.0004471000000000, -0.0010415700000000 ] - [ -0.0002143100000000, -0.0002272800000000, 0.0006764300000000 ] - [ -0.0000184200000000, 0.0003006600000000, 0.0004508500000000 ] - [ 0.0079959100000000, 0.0097238100000000, -0.0088206200000000 ] - [ 0.0056592500000000, -0.0084402800000000, -0.0015906600000000 ] - [ -0.0088675100000000, 0.0037692200000000, 0.0110585900000000 ] - [ 0.0005225800000000, -0.0012072500000000, 0.0006437600000000 ] - [ 0.0000140800000000, -0.0006746900000000, 0.0010684000000000 ] - [ 0.0012658800000000, -0.0011872700000000, 0.0012597500000000 ] - [ -0.0002647100000000, -0.0005167100000000, -0.0002762000000000 ] - [ -0.0005886500000000, 0.0007943200000000, -0.0009983600000000 ] - [ -0.0012219900000000, -0.0002248500000000, 0.0003397900000000 ] - [ -0.0014063800000000, 0.0001193200000000, 0.0006369200000000 ] - [ 0.0120463800000000, 0.0409253500000000, -0.0582316000000000 ] - [ 0.0005821700000000, -0.0004810500000000, -0.0027466400000000 ] - [ 0.0013851200000000, -0.0002106800000000, 0.0024564800000000 ] - [ 0.0033487400000000, -0.0065213900000000, 0.0122347700000000 ] - [ -0.0013645500000000, -0.0000195900000000, -0.0017998800000000 ] - [ -0.0000484900000000, -0.0001083400000000, -0.0007516800000000 ] - [ -0.0014476200000000, -0.0034706700000000, 0.0038500800000000 ] - [ 0.0000181800000000, 0.0023980900000000, 0.0019385100000000 ] - [ 0.0514551100000000, 0.0076289800000000, -0.0991064100000000 ] - [ -0.0000803900000000, -0.0018030600000000, -0.0008770900000000 ] - [ -0.0002394400000000, -0.0006925300000000, 0.0003624700000000 ] - [ 0.0003030600000000, 0.0012225300000000, 0.0030166400000000 ] - [ -0.0019530500000000, 0.0000275100000000, -0.0008340100000000 ] - [ -0.0002786300000000, -0.0004504900000000, -0.0002798300000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007571300000000, 0.0001545400000000, -0.0005171100000000 ] - [ 0.0005983600000000, 0.0002730000000000, -0.0004334800000000 ] - [ -0.0013779300000000, 0.0020344700000000, 0.0016052900000000 ] - [ -0.0005410200000000, -0.0007626300000000, -0.0002413600000000 ] - [ -0.0034872300000000, 0.0026688500000000, 0.0050005500000000 ] - [ -0.0004524400000000, 0.0002384700000000, 0.0005013000000000 ] - [ 0.0015952900000000, -0.0002715100000000, 0.0001446500000000 ] - [ 0.0002621200000000, 0.0001963500000000, 0.0000223400000000 ] - [ -0.1442440600000000, -0.0257443300000000, -0.0765982200000000 ] - [ -0.0010178100000000, 0.0001578300000000, -0.0004915500000000 ] - [ 0.0008561200000000, -0.0000882900000000, -0.0002209500000000 ] - [ 0.0004872500000000, 0.0000059300000000, -0.0001815200000000 ] - [ 0.0013540400000000, -0.0001259900000000, 0.0002142400000000 ] - [ 0.0007516800000000, -0.0001461200000000, 0.0002455100000000 ] - [ -0.0006864500000000, 0.0000228600000000, 0.0007479200000000 ] - [ -0.0006861100000000, 0.0005580500000000, 0.0008474300000000 ] - [ 0.0010610900000000, -0.0003494800000000, -0.0002405900000000 ] - [ 0.0005573500000000, -0.0001540700000000, 0.0000062700000000 ] - [ -0.0034653800000000, -0.0012895800000000, 0.0097326400000000 ] - [ -0.0006150900000000, 0.0004564600000000, -0.0001154200000000 ] - [ -0.0017537500000000, -0.0003631800000000, 0.0002539600000000 ] - [ -0.0013320200000000, 0.0008928000000000, 0.0011465300000000 ] - [ 0.0002576900000000, -0.0000781500000000, 0.0004154100000000 ] - [ 0.0008784200000000, -0.0002454300000000, 0.0004886100000000 ] - [ -0.0061790700000000, 0.0092870400000000, -0.0035482100000000 ] - [ -0.0021772000000000, -0.0003929100000000, -0.0010077300000000 ] - [ 0.0007824400000000, 0.0002031000000000, -0.0000785900000000 ] - [ 0.0008008700000000, 0.0000616700000000, -0.0001151700000000 ] - [ 0.0017178800000000, -0.0002987600000000, 0.0001765700000000 ] - [ 0.0002013900000000, 0.0002389500000000, 0.0001965300000000 ] - [ 0.0022620000000000, -0.0017626800000000, -0.0004451900000000 ] - [ 0.0003725000000000, 0.0005944200000000, -0.0000683400000000 ] - [ -0.0013508300000000, -0.0010987900000000, 0.0035909900000000 ] - [ -0.0001907100000000, 0.0000304900000000, 0.0002878400000000 ] - [ 0.0000749700000000, -0.0011863900000000, 0.0009246100000000 ] - [ -0.0004326100000000, 0.0010043500000000, 0.0002873500000000 ] - [ 0.0001316700000000, -0.0105427900000000, 0.0050586600000000 ] - [ -0.0002562900000000, 0.0026831600000000, -0.0000127200000000 ] - [ 0.0005761500000000, 0.0003723200000000, -0.0001321900000000 ] - [ 0.0002242300000000, -0.0002091200000000, -0.0000345600000000 ] - [ -0.0002448400000000, 0.0101812400000000, 0.0041156400000000 ] - [ -0.0016533800000000, -0.0012983500000000, -0.0007586800000000 ] - [ 0.0005488900000000, -0.0006855400000000, -0.0002419700000000 ] - [ 0.0000446800000000, 0.0002848200000000, -0.0001635500000000 ] - [ 0.0013361500000000, -0.0002369900000000, -0.0005968600000000 ] - [ 0.0007166400000000, 0.0006818100000000, -0.0004888300000000 ] - [ -0.0002453300000000, -0.0001410800000000, 0.0009180700000000 ] - [ -0.0002863700000000, 0.0000894200000000, -0.0001076800000000 ] - [ 0.0150894500000000, -0.0025376100000000, -0.0059466500000000 ] - [ -0.0002001200000000, -0.0000378300000000, -0.0000220700000000 ] - [ 0.0007881200000000, 0.0000142300000000, 0.0009516200000000 ] - [ 0.0003604900000000, 0.0000767100000000, 0.0003265500000000 ] - [ 0.0004908300000000, -0.0008790000000000, 0.0002226500000000 ] - [ 0.0016764500000000, 0.0018949300000000, -0.0012380800000000 ] - [ 0.0002157300000000, 0.0004532100000000, 0.0007373900000000 ] - [ 0.0002034600000000, -0.0001594000000000, 0.0002964100000000 ] - [ 0.0004809500000000, -0.0007787200000000, -0.0006482200000000 ] - [ 0.0001096300000000, 0.0002095000000000, -0.0004656300000000 ] - [ 0.0006877900000000, 0.0020762500000000, 0.0025790400000000 ] - [ 0.0001934000000000, -0.0000635000000000, 0.0001461300000000 ] - [ 0.0037673800000000, 0.0016385600000000, 0.0039856100000000 ] - [ 0.0001024000000000, 0.0004254800000000, 0.0004146000000000 ] - [ 0.0006195200000000, -0.0006623200000000, -0.0023998900000000 ] - [ 0.0001190000000000, -0.0001418700000000, -0.0000617400000000 ] - [ -0.0046204600000000, -0.0046936700000000, -0.0037955900000000 ] - [ -0.0012337700000000, 0.0006914200000000, -0.0002849800000000 ] - [ 0.0017733500000000, 0.0001922400000000, 0.0005246100000000 ] - [ 0.0010267500000000, -0.0002785300000000, 0.0001999600000000 ] - [ 0.0045775500000000, 0.0003103200000000, -0.0001840800000000 ] - [ 0.0001051500000000, -0.0002853200000000, 0.0001484700000000 ] - [ -0.0009962700000000, -0.0000501500000000, -0.0000315100000000 ] - [ -0.0001247200000000, 0.0003817400000000, 0.0002154700000000 ] - [ 0.0007191700000000, 0.0001778900000000, -0.0000797300000000 ] - [ 0.0005934900000000, 0.0004262100000000, -0.0000377000000000 ] - [ 0.0151771700000000, 0.0111669800000000, 0.0099264100000000 ] - [ -0.0005524300000000, -0.0002325000000000, -0.0000493100000000 ] - [ -0.0002585600000000, 0.0003904600000000, 0.0011264300000000 ] - [ -0.0003074100000000, -0.0004117200000000, 0.0004531600000000 ] - [ 0.0013118700000000, -0.0002470700000000, -0.0003897800000000 ] - [ 0.0003482100000000, -0.0001893300000000, -0.0000625600000000 ] - [ 0.0030272400000000, -0.0010976000000000, 0.0016383200000000 ] - [ 0.0011392200000000, -0.0000740700000000, -0.0001645100000000 ] - [ -0.0007399100000000, -0.0002753200000000, -0.0005094000000000 ] - [ -0.0003767700000000, -0.0004434700000000, -0.0001933000000000 ] - [ 0.0004510500000000, 0.0005706700000000, -0.0004469500000000 ] - [ 0.0000279400000000, 0.0002393900000000, -0.0003149600000000 ] - [ 0.0013719100000000, 0.0026837800000000, 0.0006360500000000 ] - [ 0.0001418300000000, -0.0004535300000000, -0.0000098400000000 ] - [ 0.0005519900000000, -0.0002848300000000, 0.0006570700000000 ] - [ 0.0000298300000000, -0.0003147500000000, -0.0003428100000000 ] - [ -0.0006834700000000, 0.0005619400000000, -0.0003493700000000 ] - [ -0.0001852800000000, -0.0000577800000000, -0.0002998100000000 ] - [ -0.0009273000000000, 0.0003918200000000, -0.0003771000000000 ] - [ -0.0005405800000000, 0.0000297500000000, -0.0002104900000000 ] - [ -0.0016540400000000, -0.0014650800000000, -0.0005995600000000 ] - [ -0.0002443900000000, -0.0000589600000000, -0.0002190600000000 ] - [ -0.0009065500000000, -0.0011417900000000, -0.0026248600000000 ] - [ -0.0001939500000000, 0.0001228900000000, -0.0003935300000000 ] - [ -0.0081846800000000, -0.0071306600000000, -0.0013728400000000 ] - [ -0.0002589800000000, 0.0009338800000000, -0.0001714000000000 ] - [ 0.0001196300000000, -0.0001283400000000, 0.0010124400000000 ] - [ 0.0001712800000000, -0.0009761000000000, 0.0003529900000000 ] - [ -0.0010374700000000, 0.0017145300000000, -0.0054215000000000 ] - [ 0.0007226800000000, -0.0005452400000000, -0.0002139900000000 ] - [ -0.0024236500000000, 0.0001345300000000, 0.0003785200000000 ] - [ -0.0006650000000000, -0.0004372900000000, 0.0000075200000000 ] - [ -0.0009743900000000, -0.0006347900000000, -0.0001383800000000 ] - [ -0.0012339900000000, 0.0004714000000000, -0.0001853400000000 ] - [ -0.0013245200000000, 0.0097725200000000, 0.0086526000000000 ] - [ -0.0000781300000000, -0.0002830200000000, 0.0006045500000000 ] - [ 0.0141886400000000, 0.0067389600000000, 0.0046241100000000 ] - [ 0.0064695000000000, -0.0052200300000000, -0.0011825900000000 ] - [ 0.0282127400000000, 0.0009847600000000, 0.0064650200000000 ] - [ 0.0013638700000000, -0.0000659200000000, 0.0009747700000000 ] - [ -0.0018201500000000, 0.0001268000000000, 0.0005050000000000 ] - [ -0.0009819300000000, -0.0000442300000000, 0.0003932200000000 ] - [ -0.0063011900000000, 0.0000850100000000, -0.0002355600000000 ] - [ -0.0015294300000000, -0.0002813700000000, -0.0004216400000000 ] - [ 0.0858547100000000, 0.0051157300000000, 0.0395947900000000 ] - [ 0.0007771200000000, -0.0007234000000000, 0.0000393100000000 ] - [ -0.0025138200000000, -0.0001983300000000, 0.0005944300000000 ] - [ -0.0004746300000000, -0.0002581600000000, -0.0000441700000000 ] - [ -0.0018549500000000, 0.0008531000000000, 0.0003989500000000 ] - [ -0.0024181700000000, -0.0008855800000000, 0.0016547600000000 ] - [ 0.0013933100000000, -0.0018239500000000, -0.0030132700000000 ] - [ 0.0006644400000000, 0.0013215000000000, -0.0007613800000000 ] - [ 0.0035377600000000, -0.0019254800000000, -0.0043699100000000 ] - [ 0.0015359500000000, -0.0004016800000000, -0.0012423200000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006244000000000, 0.0000519200000000, 0.0004171000000000 ] - [ -0.0004691000000000, -0.0000644500000000, 0.0003358100000000 ] - [ 0.0012688500000000, -0.0022085500000000, -0.0016710600000000 ] - [ 0.0004115100000000, 0.0005529900000000, 0.0001376200000000 ] - [ 0.0035541000000000, -0.0028724300000000, -0.0050069900000000 ] - [ 0.0005787100000000, -0.0004408100000000, -0.0005995200000000 ] - [ -0.0017229600000000, 0.0004721100000000, -0.0002499900000000 ] - [ -0.0003905800000000, 0.0000104900000000, -0.0001223400000000 ] - [ 0.1397337000000000, 0.0249148400000000, 0.0732351600000000 ] - [ 0.0007765600000000, 0.0000224800000000, 0.0004798800000000 ] - [ -0.0006214200000000, -0.0000820700000000, 0.0002087700000000 ] - [ -0.0002529200000000, -0.0001779100000000, 0.0001692800000000 ] - [ -0.0015858500000000, -0.0000471800000000, -0.0002264400000000 ] - [ -0.0009842600000000, -0.0000222200000000, -0.0002578300000000 ] - [ 0.0009150900000000, 0.0001453600000000, -0.0007539800000000 ] - [ 0.0009164600000000, -0.0003818100000000, -0.0008538300000000 ] - [ -0.0006858400000000, -0.0001018800000000, 0.0006525400000000 ] - [ -0.0001867500000000, -0.0003002300000000, 0.0004034000000000 ] - [ 0.0031862400000000, 0.0017356000000000, -0.0091469000000000 ] - [ 0.0002383000000000, 0.0000009800000000, 0.0005194500000000 ] - [ 0.0021095400000000, 0.0008183300000000, 0.0001458000000000 ] - [ 0.0016932900000000, -0.0004319700000000, -0.0007320000000000 ] - [ -0.0006327200000000, -0.0003728000000000, -0.0000096500000000 ] - [ -0.0012499200000000, -0.0002081900000000, -0.0000782000000000 ] - [ 0.0056836400000000, -0.0093862200000000, 0.0035143500000000 ] - [ 0.0016482000000000, 0.0001961500000000, 0.0009924700000000 ] - [ -0.0002645100000000, -0.0000044100000000, 0.0000729600000000 ] - [ -0.0002749000000000, 0.0001360300000000, 0.0001027200000000 ] - [ -0.0022292600000000, 0.0004892800000000, -0.0001864800000000 ] - [ -0.0007200200000000, -0.0000405900000000, -0.0002051200000000 ] - [ -0.0026402500000000, 0.0020967000000000, 0.0006141200000000 ] - [ -0.0007293000000000, -0.0002487000000000, 0.0002475900000000 ] - [ 0.0018653900000000, 0.0008830000000000, -0.0035558900000000 ] - [ 0.0007072100000000, -0.0002268900000000, -0.0002929000000000 ] - [ -0.0001023100000000, 0.0013878000000000, -0.0009241700000000 ] - [ 0.0003996000000000, -0.0007845500000000, -0.0002949600000000 ] - [ -0.0000893100000000, 0.0105645300000000, -0.0049941400000000 ] - [ 0.0002952200000000, -0.0024440300000000, 0.0000069400000000 ] - [ -0.0006122700000000, -0.0005866200000000, 0.0001224100000000 ] - [ -0.0002719100000000, -0.0000129100000000, 0.0000276400000000 ] - [ 0.0005313000000000, -0.0100363300000000, -0.0045074200000000 ] - [ 0.0019011200000000, 0.0012302500000000, 0.0003305200000000 ] - [ -0.0008120300000000, 0.0007541500000000, -0.0001752400000000 ] - [ -0.0003029100000000, -0.0002148800000000, -0.0002493200000000 ] - [ -0.0010740800000000, 0.0003118800000000, 0.0001825600000000 ] - [ -0.0004498400000000, -0.0006124100000000, 0.0000700200000000 ] - [ -0.0000018500000000, 0.0000793000000000, -0.0013191100000000 ] - [ 0.0000327700000000, -0.0001526800000000, -0.0003017000000000 ] - [ -0.0152283700000000, 0.0024366000000000, 0.0062110800000000 ] - [ -0.0003109100000000, -0.0000095200000000, 0.0004839600000000 ] - [ -0.0002818000000000, 0.0000555400000000, -0.0004976600000000 ] - [ 0.0001439600000000, 0.0000067400000000, 0.0001153800000000 ] - [ -0.0009986400000000, 0.0009373500000000, 0.0002338600000000 ] - [ -0.0021803200000000, -0.0018338000000000, 0.0016909100000000 ] - [ 0.0002960200000000, -0.0005210000000000, -0.0002842400000000 ] - [ 0.0003039000000000, 0.0000791400000000, 0.0001518100000000 ] - [ -0.0006401100000000, 0.0003168200000000, 0.0009168900000000 ] - [ -0.0002563500000000, -0.0006657800000000, 0.0007104400000000 ] - [ -0.0005275500000000, -0.0016313300000000, -0.0023506300000000 ] - [ -0.0000331200000000, 0.0005123700000000, 0.0000840600000000 ] - [ -0.0039240200000000, -0.0011808100000000, -0.0037220800000000 ] - [ -0.0002654100000000, 0.0000408000000000, -0.0001491400000000 ] - [ -0.0004774000000000, 0.0001885200000000, 0.0026344700000000 ] - [ 0.0000366000000000, -0.0003069900000000, 0.0002913100000000 ] - [ 0.0035815700000000, 0.0050126200000000, 0.0039923300000000 ] - [ 0.0002847600000000, -0.0003606900000000, 0.0004810100000000 ] - [ -0.0008460900000000, -0.0005289600000000, -0.0003233800000000 ] - [ -0.0001146300000000, -0.0000641300000000, -0.0000034300000000 ] - [ -0.0055147700000000, -0.0006512800000000, 0.0003812500000000 ] - [ -0.0010441800000000, -0.0000386100000000, 0.0000496500000000 ] - [ 0.0019050800000000, 0.0003939700000000, 0.0002350500000000 ] - [ 0.0010540100000000, -0.0000481700000000, -0.0000165700000000 ] - [ -0.0003346800000000, 0.0001877100000000, 0.0002547000000000 ] - [ -0.0002195600000000, -0.0000760300000000, 0.0002165100000000 ] - [ -0.0157444800000000, -0.0116087700000000, -0.0098898700000000 ] - [ 0.0001949500000000, -0.0001074300000000, 0.0002288600000000 ] - [ 0.0006254800000000, -0.0007402700000000, -0.0009400100000000 ] - [ 0.0006825100000000, 0.0000473400000000, -0.0002779800000000 ] - [ -0.0012665700000000, 0.0000211600000000, 0.0003832800000000 ] - [ -0.0003114000000000, -0.0000276200000000, 0.0000546500000000 ] - [ -0.0024693100000000, 0.0007220700000000, -0.0020348600000000 ] - [ -0.0006123400000000, -0.0003363700000000, -0.0002333100000000 ] - [ 0.0003827200000000, -0.0005334200000000, 0.0001431000000000 ] - [ 0.0000227600000000, -0.0003653100000000, -0.0001714000000000 ] - [ -0.0007970300000000, 0.0002402000000000, 0.0000772600000000 ] - [ -0.0003791200000000, 0.0005696300000000, -0.0000508100000000 ] - [ -0.0012361600000000, -0.0017027600000000, -0.0009968200000000 ] - [ 0.0002002000000000, 0.0012530200000000, -0.0003549400000000 ] - [ -0.0010752300000000, -0.0001102400000000, -0.0010519600000000 ] - [ -0.0005546200000000, -0.0000846400000000, -0.0000555700000000 ] - [ 0.0012069500000000, -0.0001665000000000, -0.0000454500000000 ] - [ 0.0007071900000000, 0.0004546600000000, -0.0000942600000000 ] - [ 0.0004020400000000, 0.0000071000000000, -0.0000192800000000 ] - [ 0.0000157900000000, 0.0003648200000000, -0.0001864100000000 ] - [ 0.0019953800000000, 0.0006454000000000, 0.0002293900000000 ] - [ 0.0005990000000000, -0.0007502500000000, -0.0001465700000000 ] - [ 0.0010834500000000, 0.0011915800000000, 0.0027852000000000 ] - [ 0.0003750200000000, -0.0000611000000000, 0.0005856500000000 ] - [ 0.0079868400000000, 0.0071953000000000, 0.0015583800000000 ] - [ 0.0000770100000000, -0.0008790700000000, 0.0003677500000000 ] - [ 0.0000523500000000, 0.0000594200000000, -0.0008278700000000 ] - [ 0.0000033500000000, 0.0009118300000000, -0.0001632200000000 ] - [ 0.0007149200000000, -0.0015282700000000, 0.0052038600000000 ] - [ -0.0009866700000000, 0.0007093300000000, 0.0000728300000000 ] - [ 0.0026809500000000, -0.0003032000000000, -0.0005232700000000 ] - [ 0.0009324800000000, 0.0002632200000000, -0.0001539900000000 ] - [ 0.0007079300000000, 0.0004617500000000, -0.0000052800000000 ] - [ 0.0009631000000000, -0.0006370100000000, 0.0000390800000000 ] - [ 0.0012412600000000, -0.0096755600000000, -0.0083931000000000 ] - [ -0.0000967700000000, 0.0002136400000000, -0.0004111300000000 ] - [ -0.0137925500000000, -0.0065721600000000, -0.0046790700000000 ] - [ -0.0061612100000000, 0.0053542700000000, 0.0010291700000000 ] - [ -0.0284457100000000, -0.0011444700000000, -0.0065843100000000 ] - [ -0.0016456900000000, -0.0000673800000000, -0.0010266700000000 ] - [ 0.0020942500000000, -0.0000004500000000, -0.0005650800000000 ] - [ 0.0012632900000000, 0.0001723700000000, -0.0004500100000000 ] - [ 0.0060058400000000, 0.0000570400000000, 0.0001807900000000 ] - [ 0.0012410500000000, 0.0004035900000000, 0.0003649400000000 ] - [ -0.0817157400000000, -0.0041603200000000, -0.0364564800000000 ] - [ -0.0008225600000000, 0.0008630600000000, -0.0002018200000000 ] - [ 0.0025654500000000, 0.0000419200000000, -0.0007553500000000 ] - [ 0.0005290100000000, 0.0000969700000000, -0.0001204000000000 ] - [ 0.0017977400000000, -0.0010185400000000, -0.0005653300000000 ] - [ 0.0023547100000000, 0.0007334900000000, -0.0018231200000000 ] - [ -0.0013620600000000, 0.0019681300000000, 0.0028379000000000 ] - [ -0.0006134800000000, -0.0011470100000000, 0.0005914100000000 ] - [ -0.0032434900000000, 0.0018007000000000, 0.0042754900000000 ] - [ -0.0012460900000000, 0.0002636000000000, 0.0011845400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000890900000000, 0.0000819500000000, -0.0000245900000000 ] - [ 0.0002943800000000, 0.0002016600000000, -0.0002210900000000 ] - [ 0.0016896800000000, 0.0024362100000000, 0.0044915000000000 ] - [ -0.0007077300000000, 0.0005024100000000, -0.0011685600000000 ] - [ 0.0011286400000000, -0.0008727400000000, 0.0090173200000000 ] - [ -0.0002367600000000, 0.0015139300000000, 0.0003919500000000 ] - [ 0.0000779600000000, -0.0004468100000000, 0.0003314100000000 ] - [ -0.0000296400000000, 0.0004850100000000, -0.0002997600000000 ] - [ -0.0247651500000000, -0.1123900800000000, -0.0694114000000000 ] - [ -0.0000416600000000, 0.0026426600000000, 0.0003686100000000 ] - [ 0.0001077800000000, -0.0004519800000000, 0.0002923000000000 ] - [ 0.0002009200000000, 0.0002449800000000, -0.0001669400000000 ] - [ -0.0000750100000000, -0.0000039300000000, -0.0002354800000000 ] - [ -0.0000505300000000, 0.0000110400000000, -0.0000202200000000 ] - [ -0.0003568200000000, 0.0002738900000000, 0.0007406400000000 ] - [ 0.0001721300000000, 0.0002763500000000, 0.0000250200000000 ] - [ 0.0003302600000000, -0.0007452400000000, -0.0001358000000000 ] - [ 0.0002211800000000, 0.0001859900000000, 0.0003947200000000 ] - [ 0.0006043700000000, -0.0047595200000000, 0.0007866500000000 ] - [ -0.0002375500000000, 0.0014089600000000, -0.0002559000000000 ] - [ -0.0000087500000000, 0.0017763100000000, -0.0030295400000000 ] - [ -0.0007101400000000, 0.0012076300000000, 0.0023572400000000 ] - [ -0.0001802200000000, -0.0002785100000000, 0.0000841200000000 ] - [ -0.0000466100000000, -0.0000253700000000, 0.0005752400000000 ] - [ 0.0008726800000000, 0.0170609500000000, -0.0011122200000000 ] - [ -0.0010222300000000, 0.0043407100000000, -0.0014501300000000 ] - [ 0.0002117800000000, 0.0000949700000000, 0.0001354200000000 ] - [ 0.0003591700000000, 0.0001885600000000, 0.0000558800000000 ] - [ -0.0001798000000000, -0.0006459600000000, -0.0005051700000000 ] - [ -0.0001259200000000, 0.0005539300000000, 0.0002287500000000 ] - [ -0.0019490800000000, -0.0008857700000000, -0.0000456100000000 ] - [ 0.0004424100000000, 0.0007181800000000, -0.0001711300000000 ] - [ -0.0005753800000000, -0.0009783100000000, 0.0025858200000000 ] - [ 0.0002492800000000, 0.0005824300000000, -0.0002365000000000 ] - [ 0.0000630800000000, -0.0010276300000000, 0.0003094000000000 ] - [ -0.0001118400000000, 0.0014548300000000, 0.0001637400000000 ] - [ -0.0070133800000000, -0.0012778900000000, -0.0055048100000000 ] - [ 0.0006758200000000, 0.0048379200000000, 0.0001932700000000 ] - [ -0.0000299300000000, -0.0006064500000000, 0.0001265200000000 ] - [ 0.0000209600000000, 0.0003558900000000, 0.0000374000000000 ] - [ 0.0097145100000000, 0.0148211200000000, 0.0065786000000000 ] - [ -0.0019303200000000, 0.0037474300000000, -0.0008538600000000 ] - [ -0.0001319700000000, -0.0002580900000000, 0.0000361200000000 ] - [ -0.0001059500000000, 0.0002821600000000, -0.0002477900000000 ] - [ -0.0002900300000000, -0.0008498300000000, -0.0003359000000000 ] - [ 0.0005235600000000, 0.0009796900000000, -0.0002925800000000 ] - [ -0.0005424200000000, -0.0016715800000000, 0.0003144200000000 ] - [ -0.0000715000000000, 0.0011704100000000, -0.0003108300000000 ] - [ 0.0029627700000000, -0.0064036700000000, -0.0030610700000000 ] - [ -0.0002173100000000, 0.0013985500000000, 0.0004208800000000 ] - [ 0.0007357100000000, -0.0006994400000000, 0.0012120000000000 ] - [ 0.0002029900000000, 0.0005271900000000, 0.0000168600000000 ] - [ -0.0009630200000000, 0.0003720800000000, 0.0001078500000000 ] - [ 0.0009314900000000, 0.0003816600000000, -0.0001207400000000 ] - [ 0.0003843100000000, -0.0000575900000000, 0.0002324400000000 ] - [ 0.0000490100000000, 0.0002260000000000, 0.0006425700000000 ] - [ -0.0011379800000000, 0.0000749700000000, 0.0003493200000000 ] - [ 0.0005956400000000, -0.0000099200000000, -0.0003284900000000 ] - [ 0.0006417900000000, 0.0004430000000000, 0.0008072100000000 ] - [ -0.0001539700000000, 0.0003419400000000, 0.0000180900000000 ] - [ 0.0015073200000000, -0.0012721900000000, 0.0009732500000000 ] - [ -0.0002088500000000, 0.0012769600000000, 0.0001317100000000 ] - [ -0.0010740200000000, -0.0017689700000000, 0.0010070900000000 ] - [ 0.0003725700000000, 0.0002984100000000, -0.0003007900000000 ] - [ -0.0084704100000000, 0.0020387600000000, 0.0055072700000000 ] - [ 0.0001155800000000, 0.0017448100000000, -0.0006584500000000 ] - [ 0.0011456500000000, -0.0003063400000000, 0.0003793200000000 ] - [ 0.0003537400000000, 0.0000920800000000, 0.0000630700000000 ] - [ 0.0010008400000000, -0.0002610100000000, -0.0000468700000000 ] - [ -0.0007599800000000, 0.0001768700000000, 0.0000908300000000 ] - [ -0.0007018300000000, 0.0000421000000000, 0.0009158400000000 ] - [ 0.0006384500000000, 0.0008038700000000, -0.0000803500000000 ] - [ -0.0004129100000000, -0.0001512900000000, 0.0002741500000000 ] - [ 0.0005420800000000, 0.0005463400000000, -0.0000560500000000 ] - [ 0.0038445800000000, 0.0000952700000000, 0.0023863200000000 ] - [ -0.0006751300000000, 0.0006180600000000, -0.0001579500000000 ] - [ 0.0012746600000000, -0.0000332600000000, 0.0010013100000000 ] - [ -0.0004331100000000, 0.0004847900000000, -0.0000942600000000 ] - [ 0.0004542600000000, -0.0009227200000000, -0.0002836500000000 ] - [ -0.0002806700000000, 0.0006528400000000, 0.0000654200000000 ] - [ -0.0015943700000000, -0.0015246100000000, 0.0040277800000000 ] - [ 0.0005572700000000, -0.0020554600000000, -0.0007864700000000 ] - [ -0.0003216900000000, -0.0001030400000000, -0.0003869900000000 ] - [ -0.0000884100000000, -0.0006681800000000, -0.0001389500000000 ] - [ -0.0000879000000000, 0.0010201400000000, -0.0005956900000000 ] - [ -0.0002760400000000, -0.0000723000000000, -0.0002789500000000 ] - [ 0.0016681400000000, 0.0027060200000000, 0.0004143600000000 ] - [ -0.0008690700000000, -0.0015452700000000, -0.0001984100000000 ] - [ -0.0000802000000000, 0.0010773700000000, 0.0001936100000000 ] - [ -0.0000668500000000, -0.0009815600000000, -0.0004451100000000 ] - [ 0.0002633400000000, 0.0006255700000000, -0.0001271600000000 ] - [ 0.0001166500000000, -0.0001918200000000, -0.0002366900000000 ] - [ -0.0001712100000000, 0.0004931400000000, -0.0000789400000000 ] - [ -0.0004125500000000, -0.0000873100000000, -0.0003135300000000 ] - [ -0.0010104900000000, -0.0000220800000000, 0.0000926100000000 ] - [ 0.0004686400000000, -0.0008685700000000, -0.0002105300000000 ] - [ -0.0020173900000000, 0.0008586600000000, -0.0013972100000000 ] - [ 0.0006130000000000, -0.0009260400000000, 0.0001060900000000 ] - [ -0.0032870200000000, -0.0017544600000000, -0.0006539900000000 ] - [ 0.0005833400000000, -0.0005717500000000, 0.0004329700000000 ] - [ 0.0014405600000000, -0.0000921100000000, -0.0006789300000000 ] - [ -0.0004261200000000, -0.0006197200000000, 0.0006491600000000 ] - [ -0.0001867700000000, 0.0018524900000000, -0.0025673600000000 ] - [ 0.0000474400000000, -0.0017400700000000, 0.0001743100000000 ] - [ 0.0000040000000000, 0.0012317100000000, 0.0004491700000000 ] - [ 0.0000364400000000, -0.0012135600000000, -0.0002181300000000 ] - [ 0.0000008300000000, -0.0000499200000000, -0.0000999000000000 ] - [ -0.0003832300000000, -0.0002152300000000, -0.0004397700000000 ] - [ 0.0072180800000000, 0.0087590400000000, 0.0009771700000000 ] - [ -0.0011188800000000, -0.0017788300000000, 0.0005819100000000 ] - [ 0.0079788200000000, -0.0061944500000000, 0.0090519300000000 ] - [ 0.0037084200000000, -0.0103468000000000, -0.0039261200000000 ] - [ 0.0095699600000000, 0.0669255600000000, 0.0413087300000000 ] - [ 0.0000840200000000, -0.0046451100000000, 0.0023741300000000 ] - [ 0.0000908300000000, 0.0007151800000000, -0.0002531100000000 ] - [ -0.0001722800000000, -0.0005903200000000, 0.0000565100000000 ] - [ -0.0003192000000000, 0.0007569500000000, -0.0000159100000000 ] - [ -0.0004756900000000, -0.0005747300000000, 0.0001121000000000 ] - [ -0.0019834800000000, 0.0272234600000000, 0.0039987100000000 ] - [ 0.0003109100000000, -0.0064286200000000, 0.0000015100000000 ] - [ 0.0002075200000000, 0.0009391400000000, -0.0014624900000000 ] - [ -0.0001715800000000, -0.0010068300000000, 0.0004142000000000 ] - [ 0.0011331600000000, -0.0002107100000000, 0.0000078400000000 ] - [ -0.0012993000000000, -0.0002834600000000, 0.0007495800000000 ] - [ -0.0011586600000000, 0.0000004800000000, -0.0025105000000000 ] - [ 0.0011668100000000, -0.0001010700000000, 0.0002614700000000 ] - [ 0.0013575300000000, -0.0017846600000000, -0.0057760100000000 ] - [ 0.0007433100000000, -0.0029488600000000, 0.0013605900000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002144100000000, 0.0001169500000000, -0.0000659500000000 ] - [ -0.0001699300000000, 0.0000002400000000, 0.0001292900000000 ] - [ -0.0018157800000000, -0.0026326400000000, -0.0045932400000000 ] - [ 0.0005789600000000, -0.0007033500000000, 0.0010704900000000 ] - [ -0.0010026500000000, 0.0005851300000000, -0.0091518800000000 ] - [ 0.0003641600000000, -0.0017177600000000, -0.0004828700000000 ] - [ -0.0002126800000000, 0.0006515400000000, -0.0004249700000000 ] - [ -0.0000981200000000, -0.0002865500000000, 0.0002056700000000 ] - [ 0.0258859800000000, 0.1149453800000000, 0.0724423400000000 ] - [ -0.0001897800000000, -0.0024663800000000, -0.0003789600000000 ] - [ 0.0001256800000000, 0.0002745800000000, -0.0003040800000000 ] - [ 0.0000318800000000, -0.0004230800000000, 0.0001559500000000 ] - [ -0.0001664400000000, -0.0001732900000000, 0.0002250300000000 ] - [ -0.0001866100000000, -0.0001910200000000, 0.0000085400000000 ] - [ 0.0005954100000000, -0.0001016800000000, -0.0007559500000000 ] - [ 0.0000638600000000, -0.0000989700000000, -0.0000415000000000 ] - [ 0.0000521400000000, 0.0002954600000000, 0.0005409600000000 ] - [ 0.0001571100000000, -0.0006350500000000, 0.0000220500000000 ] - [ -0.0009450600000000, 0.0052737500000000, -0.0003661100000000 ] - [ -0.0001407800000000, -0.0009634100000000, 0.0006724100000000 ] - [ 0.0004003300000000, -0.0013182800000000, 0.0034598700000000 ] - [ 0.0010936200000000, -0.0007707500000000, -0.0019340400000000 ] - [ -0.0002016900000000, -0.0001706700000000, 0.0003304000000000 ] - [ -0.0003378900000000, -0.0004231000000000, -0.0001629700000000 ] - [ -0.0014733100000000, -0.0176931000000000, 0.0011747000000000 ] - [ 0.0004991100000000, -0.0045306800000000, 0.0014458200000000 ] - [ 0.0003155000000000, 0.0001047600000000, -0.0001472400000000 ] - [ 0.0001641300000000, 0.0000140000000000, -0.0000631200000000 ] - [ -0.0003488700000000, 0.0008544200000000, 0.0005060200000000 ] - [ -0.0004054400000000, -0.0003540700000000, -0.0002400200000000 ] - [ 0.0015796000000000, 0.0012591000000000, 0.0002287700000000 ] - [ -0.0008114300000000, -0.0003633900000000, 0.0003481700000000 ] - [ 0.0011074600000000, 0.0007744900000000, -0.0026029300000000 ] - [ 0.0002824500000000, -0.0007852000000000, 0.0002248400000000 ] - [ -0.0000777900000000, 0.0012365900000000, -0.0003172000000000 ] - [ 0.0000867600000000, -0.0012401400000000, -0.0001702800000000 ] - [ 0.0071075200000000, 0.0015888600000000, 0.0055396400000000 ] - [ -0.0006475400000000, -0.0046240300000000, -0.0001918100000000 ] - [ -0.0000028300000000, 0.0003860500000000, -0.0001273900000000 ] - [ -0.0000426500000000, -0.0005710100000000, -0.0000413600000000 ] - [ -0.0092265200000000, -0.0146996700000000, -0.0069771500000000 ] - [ 0.0022580800000000, -0.0038131500000000, 0.0004022600000000 ] - [ -0.0001708100000000, 0.0003297400000000, -0.0004958200000000 ] - [ -0.0001951600000000, -0.0002160100000000, -0.0002133800000000 ] - [ 0.0005813900000000, 0.0009070700000000, -0.0001164900000000 ] - [ -0.0002226300000000, -0.0009137400000000, -0.0001680700000000 ] - [ 0.0002532800000000, 0.0016286500000000, -0.0007745600000000 ] - [ -0.0002320400000000, -0.0012460700000000, -0.0001519500000000 ] - [ -0.0035561800000000, 0.0063858800000000, 0.0035623300000000 ] - [ -0.0002722600000000, -0.0014230400000000, 0.0000305400000000 ] - [ -0.0002489200000000, 0.0007346600000000, -0.0007713000000000 ] - [ 0.0002916100000000, -0.0004973100000000, 0.0004364900000000 ] - [ 0.0004665600000000, -0.0003396900000000, 0.0003457200000000 ] - [ -0.0014375700000000, -0.0003611800000000, 0.0005815200000000 ] - [ 0.0001094200000000, 0.0000219000000000, 0.0002146800000000 ] - [ 0.0004470700000000, -0.0002539000000000, -0.0001866200000000 ] - [ 0.0009973500000000, -0.0005298500000000, -0.0001166500000000 ] - [ -0.0007412300000000, -0.0004482600000000, 0.0005785900000000 ] - [ -0.0005067400000000, 0.0000060200000000, -0.0005859100000000 ] - [ 0.0002943800000000, 0.0001123400000000, 0.0002202900000000 ] - [ -0.0016763300000000, 0.0017166200000000, -0.0007495400000000 ] - [ 0.0000738100000000, -0.0008217200000000, 0.0001074800000000 ] - [ 0.0012143400000000, 0.0013261400000000, -0.0007620200000000 ] - [ -0.0002326100000000, -0.0007539000000000, 0.0005355800000000 ] - [ 0.0076930100000000, -0.0017660600000000, -0.0053818900000000 ] - [ -0.0010375700000000, -0.0014371600000000, 0.0008533200000000 ] - [ -0.0002327600000000, -0.0000092200000000, -0.0001856900000000 ] - [ 0.0005738900000000, -0.0004027400000000, 0.0001334600000000 ] - [ -0.0019586800000000, -0.0000470400000000, 0.0002457100000000 ] - [ -0.0001681700000000, -0.0004905300000000, 0.0001054400000000 ] - [ 0.0016509700000000, 0.0002600600000000, -0.0007212600000000 ] - [ 0.0002812900000000, -0.0004835400000000, 0.0002760600000000 ] - [ 0.0007780900000000, 0.0005070700000000, -0.0000959200000000 ] - [ -0.0001694600000000, -0.0001830300000000, 0.0002321100000000 ] - [ -0.0043265800000000, -0.0004482800000000, -0.0022394500000000 ] - [ 0.0003005500000000, -0.0009833900000000, 0.0003330900000000 ] - [ -0.0009058600000000, -0.0003379300000000, -0.0008307400000000 ] - [ 0.0008093200000000, -0.0008383800000000, 0.0002715400000000 ] - [ -0.0004388500000000, 0.0007222700000000, 0.0002830600000000 ] - [ 0.0003084300000000, -0.0008758000000000, -0.0000671700000000 ] - [ 0.0021306800000000, 0.0011724100000000, -0.0044414400000000 ] - [ -0.0000312200000000, 0.0016714400000000, 0.0003937300000000 ] - [ -0.0000218900000000, -0.0007007800000000, 0.0000365000000000 ] - [ -0.0002558100000000, -0.0001328400000000, -0.0002126500000000 ] - [ -0.0002574300000000, -0.0002234200000000, 0.0002491900000000 ] - [ -0.0000700700000000, 0.0008794400000000, -0.0000716000000000 ] - [ -0.0014473200000000, -0.0018341700000000, -0.0007618300000000 ] - [ 0.0012232500000000, 0.0023619600000000, -0.0001533100000000 ] - [ -0.0004582600000000, -0.0014769600000000, -0.0005845600000000 ] - [ -0.0004644700000000, 0.0005936000000000, 0.0000486600000000 ] - [ 0.0002718500000000, -0.0002376500000000, -0.0002688600000000 ] - [ 0.0004172900000000, 0.0005826800000000, -0.0001587500000000 ] - [ -0.0003575500000000, -0.0001067900000000, -0.0003170200000000 ] - [ -0.0001172700000000, 0.0004793700000000, -0.0000830300000000 ] - [ 0.0013624800000000, -0.0007703500000000, -0.0004398400000000 ] - [ -0.0001231600000000, 0.0000638800000000, -0.0001418800000000 ] - [ 0.0022103700000000, -0.0007779600000000, 0.0015981700000000 ] - [ -0.0004354100000000, 0.0009997100000000, 0.0000822500000000 ] - [ 0.0031290800000000, 0.0018434200000000, 0.0008494400000000 ] - [ -0.0007547800000000, 0.0006550700000000, -0.0002387600000000 ] - [ -0.0012708500000000, 0.0000181500000000, 0.0008684800000000 ] - [ 0.0006066600000000, 0.0005431800000000, -0.0004631400000000 ] - [ -0.0001039800000000, -0.0016787200000000, 0.0024530500000000 ] - [ -0.0003193200000000, 0.0019243500000000, -0.0002974000000000 ] - [ 0.0002682500000000, -0.0014108000000000, -0.0005714600000000 ] - [ 0.0002346000000000, 0.0010421700000000, 0.0000923300000000 ] - [ -0.0002664500000000, -0.0001194600000000, -0.0000245600000000 ] - [ 0.0001177300000000, 0.0000333100000000, 0.0003133400000000 ] - [ -0.0074298300000000, -0.0089501200000000, -0.0008498900000000 ] - [ 0.0009335100000000, 0.0016952000000000, -0.0003852000000000 ] - [ -0.0078612200000000, 0.0063171900000000, -0.0092810000000000 ] - [ -0.0034490400000000, 0.0105211100000000, 0.0037831600000000 ] - [ -0.0108497500000000, -0.0692845700000000, -0.0442808000000000 ] - [ -0.0003668300000000, 0.0045234700000000, -0.0024266000000000 ] - [ 0.0001985400000000, -0.0005883500000000, 0.0001964900000000 ] - [ 0.0004581400000000, 0.0007179800000000, -0.0001145900000000 ] - [ 0.0000618100000000, -0.0006378500000000, -0.0000423700000000 ] - [ 0.0001965700000000, 0.0007070600000000, -0.0001684500000000 ] - [ 0.0017164600000000, -0.0270653400000000, -0.0042557700000000 ] - [ -0.0003729100000000, 0.0065904500000000, -0.0001676400000000 ] - [ -0.0001424400000000, -0.0010949400000000, 0.0013000200000000 ] - [ 0.0002253200000000, 0.0008581100000000, -0.0005781600000000 ] - [ -0.0011840500000000, 0.0000611100000000, -0.0001759400000000 ] - [ 0.0012596700000000, 0.0001262700000000, -0.0009218400000000 ] - [ 0.0012175600000000, 0.0001469200000000, 0.0023733900000000 ] - [ -0.0011139800000000, 0.0002646200000000, -0.0004156300000000 ] - [ -0.0011019800000000, 0.0017111400000000, 0.0057463200000000 ] - [ -0.0004672500000000, 0.0028247600000000, -0.0014152900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001812100000000, 0.0001584500000000, -0.0002249200000000 ] - [ 0.0002837700000000, 0.0001939500000000, -0.0002471300000000 ] - [ 0.0009848000000000, 0.0041496000000000, 0.0029140100000000 ] - [ -0.0002749300000000, -0.0011016100000000, -0.0005007900000000 ] - [ 0.0030166200000000, 0.0086211600000000, 0.0196133400000000 ] - [ -0.0001976800000000, 0.0002665400000000, 0.0004444800000000 ] - [ 0.0001767900000000, -0.0003048300000000, 0.0004228100000000 ] - [ 0.0000769000000000, 0.0002919200000000, -0.0001032400000000 ] - [ -0.0755071300000000, -0.0696198100000000, -0.1380546200000000 ] - [ -0.0006035800000000, 0.0004658000000000, -0.0005388800000000 ] - [ 0.0003323500000000, -0.0003900400000000, 0.0004049800000000 ] - [ 0.0002922700000000, 0.0000706900000000, -0.0000039700000000 ] - [ 0.0001006900000000, 0.0001404900000000, -0.0004570500000000 ] - [ 0.0001319400000000, -0.0000773400000000, -0.0000714300000000 ] - [ -0.0007327000000000, 0.0001283900000000, 0.0015264000000000 ] - [ -0.0006300800000000, 0.0008356400000000, 0.0015233400000000 ] - [ 0.0006018000000000, -0.0005441700000000, -0.0002010600000000 ] - [ 0.0003884800000000, -0.0000614500000000, 0.0001663700000000 ] - [ 0.0064391000000000, -0.0002989700000000, 0.0287560000000000 ] - [ -0.0003980900000000, 0.0006228100000000, -0.0001281100000000 ] - [ -0.0008767800000000, -0.0013241900000000, 0.0006602300000000 ] - [ -0.0006710300000000, 0.0023830800000000, 0.0008788200000000 ] - [ -0.0000255800000000, -0.0003051800000000, 0.0002447600000000 ] - [ 0.0001581100000000, 0.0001236000000000, 0.0007042300000000 ] - [ -0.0030992500000000, 0.0007076800000000, -0.0072144200000000 ] - [ -0.0013665500000000, 0.0010885300000000, -0.0019009900000000 ] - [ 0.0003947300000000, 0.0001594100000000, 0.0002731400000000 ] - [ 0.0004518400000000, 0.0002925100000000, 0.0002639300000000 ] - [ -0.0000033700000000, -0.0004456300000000, -0.0007918500000000 ] - [ -0.0000470600000000, 0.0002828800000000, 0.0000375800000000 ] - [ -0.0016394300000000, -0.0001441100000000, -0.0004649200000000 ] - [ 0.0001938300000000, 0.0003413500000000, -0.0001378600000000 ] - [ -0.0022747200000000, -0.0027077100000000, 0.0088108100000000 ] - [ -0.0000673200000000, 0.0001702800000000, 0.0003746900000000 ] - [ 0.0011850200000000, -0.0029336500000000, 0.0019999800000000 ] - [ -0.0002595100000000, 0.0012581300000000, 0.0004427800000000 ] - [ 0.0039970700000000, -0.0094957200000000, 0.0007157500000000 ] - [ 0.0002399500000000, 0.0028377200000000, -0.0001881200000000 ] - [ -0.0000763000000000, -0.0004814200000000, 0.0003876500000000 ] - [ 0.0001049800000000, 0.0002915400000000, 0.0001799500000000 ] - [ 0.0033821900000000, 0.0092016700000000, -0.0009568200000000 ] - [ -0.0006188500000000, -0.0011029400000000, -0.0012612300000000 ] - [ -0.0000712100000000, -0.0000855100000000, 0.0003184400000000 ] - [ -0.0000005700000000, 0.0000864200000000, -0.0000605100000000 ] - [ 0.0001021100000000, -0.0004897800000000, -0.0006199200000000 ] - [ 0.0004196800000000, 0.0007082800000000, -0.0004857500000000 ] - [ 0.0011535000000000, 0.0007959600000000, 0.0026156500000000 ] - [ -0.0001754400000000, 0.0003587400000000, 0.0000407400000000 ] - [ -0.0031632700000000, -0.0026460000000000, -0.0061232500000000 ] - [ -0.0000186600000000, 0.0001250600000000, -0.0003456700000000 ] - [ 0.0011112100000000, -0.0005533400000000, 0.0020399500000000 ] - [ 0.0004585400000000, 0.0001193900000000, 0.0005037600000000 ] - [ -0.0001681100000000, -0.0001284400000000, -0.0002008500000000 ] - [ 0.0008392300000000, 0.0012908800000000, -0.0010379500000000 ] - [ 0.0003588200000000, 0.0005415800000000, 0.0011391200000000 ] - [ 0.0001944400000000, 0.0002163200000000, 0.0011999600000000 ] - [ -0.0009054600000000, 0.0001188000000000, -0.0001145200000000 ] - [ -0.0001688300000000, -0.0001244800000000, -0.0001640900000000 ] - [ 0.0008703600000000, 0.0012602200000000, 0.0013348800000000 ] - [ 0.0002897700000000, -0.0001394100000000, -0.0000593000000000 ] - [ 0.0040252600000000, 0.0009916100000000, 0.0016505900000000 ] - [ 0.0002100000000000, 0.0005407200000000, 0.0003986900000000 ] - [ -0.0016223800000000, -0.0011625200000000, 0.0010950100000000 ] - [ 0.0001654700000000, -0.0000416400000000, -0.0000480400000000 ] - [ -0.0076610000000000, 0.0044494000000000, 0.0010620000000000 ] - [ -0.0006316500000000, 0.0004243800000000, -0.0006480700000000 ] - [ 0.0017589200000000, -0.0001118300000000, 0.0006239700000000 ] - [ 0.0009725500000000, -0.0001485500000000, 0.0003202200000000 ] - [ 0.0024133000000000, 0.0001629900000000, -0.0002599000000000 ] - [ -0.0003016800000000, -0.0001043800000000, 0.0000086700000000 ] - [ -0.0016296300000000, 0.0008950300000000, 0.0019173000000000 ] - [ -0.0000569700000000, 0.0003780800000000, 0.0004257600000000 ] - [ -0.0003001400000000, 0.0000335300000000, 0.0003542600000000 ] - [ 0.0003346600000000, 0.0004225300000000, 0.0001269400000000 ] - [ 0.0093538300000000, 0.0061447400000000, 0.0025962100000000 ] - [ -0.0004971500000000, -0.0000910700000000, -0.0002883000000000 ] - [ 0.0016782100000000, 0.0011834800000000, 0.0019814100000000 ] - [ 0.0000343700000000, -0.0003259000000000, 0.0006175500000000 ] - [ 0.0002291200000000, -0.0005652600000000, -0.0005146300000000 ] - [ -0.0000583500000000, 0.0002475100000000, -0.0001051800000000 ] - [ 0.0026119800000000, 0.0034725500000000, 0.0005074000000000 ] - [ 0.0003059600000000, -0.0015418500000000, 0.0001530800000000 ] - [ -0.0005809300000000, -0.0002477300000000, -0.0006197100000000 ] - [ -0.0002363400000000, -0.0005011700000000, -0.0002593200000000 ] - [ 0.0001862500000000, 0.0005846100000000, -0.0016123500000000 ] - [ -0.0000890700000000, 0.0001139200000000, -0.0005352100000000 ] - [ 0.0008084600000000, 0.0012025700000000, 0.0032333500000000 ] - [ 0.0002524400000000, -0.0001734800000000, 0.0000431100000000 ] - [ 0.0010729000000000, 0.0010524800000000, -0.0023079100000000 ] - [ 0.0000517300000000, -0.0005933400000000, -0.0005340100000000 ] - [ -0.0000976800000000, 0.0006261300000000, -0.0001090000000000 ] - [ 0.0000538500000000, -0.0001233100000000, -0.0001912300000000 ] - [ -0.0007671900000000, 0.0003896800000000, -0.0004643600000000 ] - [ -0.0005061800000000, -0.0000114400000000, -0.0002869500000000 ] - [ -0.0006450400000000, -0.0001807300000000, 0.0003565800000000 ] - [ -0.0000634200000000, -0.0005109700000000, 0.0001046600000000 ] - [ -0.0032652100000000, -0.0000525100000000, -0.0027070300000000 ] - [ -0.0003433500000000, 0.0000333300000000, -0.0005045300000000 ] - [ -0.0050357600000000, -0.0045775800000000, -0.0002435800000000 ] - [ -0.0000806900000000, 0.0002667400000000, 0.0005682000000000 ] - [ 0.0018675600000000, -0.0010453300000000, -0.0007794000000000 ] - [ 0.0003852100000000, -0.0007140000000000, -0.0002291400000000 ] - [ -0.0051313900000000, 0.0039394300000000, -0.0127574400000000 ] - [ 0.0005097600000000, -0.0008863400000000, -0.0004146300000000 ] - [ -0.0002749300000000, 0.0006030900000000, 0.0009346000000000 ] - [ -0.0001693800000000, -0.0006828900000000, 0.0000638800000000 ] - [ -0.0002057000000000, 0.0000593800000000, -0.0004498600000000 ] - [ -0.0005686500000000, -0.0003098000000000, -0.0007364000000000 ] - [ 0.0074650000000000, 0.0048063700000000, 0.0018619500000000 ] - [ -0.0002750400000000, -0.0002804300000000, 0.0007170000000000 ] - [ 0.0076597900000000, 0.0091533700000000, 0.0050640400000000 ] - [ 0.0033210700000000, -0.0065138100000000, -0.0001319800000000 ] - [ 0.0125798700000000, 0.0376463700000000, 0.0578281600000000 ] - [ 0.0005598300000000, -0.0006170200000000, 0.0023692000000000 ] - [ -0.0006538600000000, 0.0004784600000000, -0.0003513800000000 ] - [ -0.0005693900000000, -0.0002684700000000, -0.0001533100000000 ] - [ -0.0013585200000000, 0.0000108700000000, 0.0004074700000000 ] - [ -0.0007605100000000, -0.0001850200000000, 0.0000847200000000 ] - [ 0.0338543200000000, 0.0062722900000000, 0.0419155500000000 ] - [ 0.0000851900000000, -0.0013388100000000, 0.0004079400000000 ] - [ 0.0002070500000000, 0.0006944800000000, -0.0025833000000000 ] - [ -0.0003279000000000, -0.0006486600000000, -0.0002716200000000 ] - [ 0.0002385500000000, -0.0000111900000000, 0.0008097200000000 ] - [ -0.0007460400000000, -0.0003213600000000, 0.0016069400000000 ] - [ -0.0002086700000000, -0.0027937400000000, -0.0037003600000000 ] - [ 0.0006320700000000, 0.0022061600000000, -0.0016903800000000 ] - [ 0.0039378400000000, -0.0068415400000000, -0.0116891400000000 ] - [ 0.0010267900000000, -0.0001623100000000, -0.0023178300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000518900000000, 0.0000486700000000, 0.0001238600000000 ] - [ -0.0001557100000000, 0.0000119700000000, 0.0001481000000000 ] - [ -0.0011027000000000, -0.0043497700000000, -0.0029887000000000 ] - [ 0.0001490400000000, 0.0009030100000000, 0.0004122100000000 ] - [ -0.0028314200000000, -0.0087384000000000, -0.0193661000000000 ] - [ 0.0003271800000000, -0.0004732700000000, -0.0005490700000000 ] - [ -0.0003124600000000, 0.0005097000000000, -0.0005176700000000 ] - [ -0.0002083300000000, -0.0000883900000000, 0.0000050200000000 ] - [ 0.0743083200000000, 0.0722196500000000, 0.1397002000000000 ] - [ 0.0003745100000000, -0.0002961100000000, 0.0005271600000000 ] - [ -0.0001043300000000, 0.0002216200000000, -0.0004177400000000 ] - [ -0.0000644000000000, -0.0002363300000000, -0.0000094300000000 ] - [ -0.0003331800000000, -0.0003066000000000, 0.0004421700000000 ] - [ -0.0003618300000000, -0.0000886400000000, 0.0000567400000000 ] - [ 0.0009596100000000, 0.0000464200000000, -0.0015417100000000 ] - [ 0.0008647800000000, -0.0006760800000000, -0.0015450200000000 ] - [ -0.0002419200000000, 0.0000869900000000, 0.0006174600000000 ] - [ -0.0000188500000000, -0.0003950400000000, 0.0002392300000000 ] - [ -0.0068463200000000, 0.0008107300000000, -0.0289362100000000 ] - [ 0.0000301600000000, -0.0001654700000000, 0.0005390900000000 ] - [ 0.0012451100000000, 0.0017828300000000, -0.0002615800000000 ] - [ 0.0010442500000000, -0.0019149400000000, -0.0004856800000000 ] - [ -0.0003422700000000, -0.0001482400000000, 0.0001708700000000 ] - [ -0.0005297100000000, -0.0005800100000000, -0.0002947200000000 ] - [ 0.0025890600000000, -0.0008247900000000, 0.0072422700000000 ] - [ 0.0008542200000000, -0.0012943200000000, 0.0018900200000000 ] - [ 0.0001192300000000, 0.0000356700000000, -0.0002838200000000 ] - [ 0.0000573000000000, -0.0000986200000000, -0.0002728000000000 ] - [ -0.0005244800000000, 0.0006400500000000, 0.0007737100000000 ] - [ -0.0004607200000000, -0.0000899100000000, -0.0000438800000000 ] - [ 0.0012634000000000, 0.0005100500000000, 0.0006449100000000 ] - [ -0.0005739300000000, 0.0000182900000000, 0.0003119100000000 ] - [ 0.0028024800000000, 0.0025223800000000, -0.0088451800000000 ] - [ 0.0005824700000000, -0.0003660400000000, -0.0003822700000000 ] - [ -0.0012480400000000, 0.0031848100000000, -0.0020165900000000 ] - [ 0.0002266600000000, -0.0010457600000000, -0.0004526900000000 ] - [ -0.0039005600000000, 0.0096495900000000, -0.0007515900000000 ] - [ -0.0002005100000000, -0.0026209400000000, 0.0001777700000000 ] - [ 0.0000311600000000, 0.0002590100000000, -0.0003912000000000 ] - [ -0.0001409200000000, -0.0005089400000000, -0.0001876000000000 ] - [ -0.0031053400000000, -0.0092371600000000, 0.0004545800000000 ] - [ 0.0008765600000000, 0.0010406400000000, 0.0008378700000000 ] - [ -0.0001924000000000, 0.0001523500000000, -0.0007348600000000 ] - [ -0.0002657900000000, -0.0000102800000000, -0.0003579700000000 ] - [ 0.0001702800000000, 0.0005680300000000, 0.0001946000000000 ] - [ -0.0001552700000000, -0.0006437400000000, 0.0000661600000000 ] - [ -0.0014446300000000, -0.0008938200000000, -0.0030561000000000 ] - [ -0.0000831200000000, -0.0004208100000000, -0.0004533100000000 ] - [ 0.0025797600000000, 0.0025920000000000, 0.0066007000000000 ] - [ -0.0004906600000000, -0.0002052000000000, 0.0007924600000000 ] - [ -0.0005979700000000, 0.0006287600000000, -0.0015900300000000 ] - [ 0.0000527800000000, -0.0000548700000000, -0.0000451300000000 ] - [ -0.0003417600000000, 0.0001919900000000, 0.0006601200000000 ] - [ -0.0013512200000000, -0.0012210900000000, 0.0014960200000000 ] - [ 0.0001470000000000, -0.0006189400000000, -0.0006937600000000 ] - [ 0.0003099600000000, -0.0002955000000000, -0.0007578500000000 ] - [ 0.0007438300000000, -0.0005790600000000, 0.0003631100000000 ] - [ 0.0000133800000000, -0.0003304300000000, 0.0004038000000000 ] - [ -0.0007150400000000, -0.0008079300000000, -0.0010839000000000 ] - [ -0.0001331900000000, 0.0005977500000000, 0.0003035800000000 ] - [ -0.0042003400000000, -0.0005406400000000, -0.0014235700000000 ] - [ -0.0003692800000000, -0.0000886000000000, -0.0001702100000000 ] - [ 0.0017809000000000, 0.0007063600000000, -0.0008291000000000 ] - [ -0.0000061400000000, -0.0004202100000000, 0.0003122900000000 ] - [ 0.0068102800000000, -0.0041698800000000, -0.0008485000000000 ] - [ -0.0002851000000000, -0.0000856000000000, 0.0008475200000000 ] - [ -0.0008303700000000, -0.0002266800000000, -0.0004282700000000 ] - [ -0.0000307900000000, -0.0001723900000000, -0.0001219600000000 ] - [ -0.0033642700000000, -0.0004972600000000, 0.0004593200000000 ] - [ -0.0006400000000000, -0.0002240700000000, 0.0001920000000000 ] - [ 0.0025287000000000, -0.0005480100000000, -0.0017258700000000 ] - [ 0.0009911900000000, -0.0000530600000000, -0.0002307200000000 ] - [ 0.0006665300000000, 0.0003262000000000, -0.0001822100000000 ] - [ 0.0000289600000000, -0.0000715300000000, 0.0000483200000000 ] - [ -0.0098698400000000, -0.0065454400000000, -0.0024237000000000 ] - [ 0.0001387600000000, -0.0002512900000000, 0.0004707200000000 ] - [ -0.0012787600000000, -0.0015240100000000, -0.0018058700000000 ] - [ 0.0003251100000000, -0.0000135900000000, -0.0004398400000000 ] - [ -0.0001844800000000, 0.0003380000000000, 0.0005077500000000 ] - [ 0.0000861700000000, -0.0004617200000000, 0.0000947600000000 ] - [ -0.0020803100000000, -0.0038501300000000, -0.0009543600000000 ] - [ 0.0002191400000000, 0.0011440400000000, -0.0005548600000000 ] - [ 0.0002335600000000, -0.0005580800000000, 0.0002579400000000 ] - [ -0.0001140200000000, -0.0003067400000000, -0.0001032100000000 ] - [ -0.0005453800000000, 0.0002294800000000, 0.0012497800000000 ] - [ -0.0002654900000000, 0.0006920100000000, 0.0001694500000000 ] - [ -0.0004666800000000, -0.0003890400000000, -0.0036028400000000 ] - [ 0.0000927800000000, 0.0009769400000000, -0.0004084000000000 ] - [ -0.0015924400000000, -0.0014402400000000, 0.0019130600000000 ] - [ -0.0005769400000000, 0.0001950800000000, 0.0001375500000000 ] - [ 0.0006261500000000, -0.0002324000000000, -0.0002890600000000 ] - [ 0.0004717500000000, 0.0005180000000000, -0.0002055900000000 ] - [ 0.0002434200000000, 0.0000054400000000, 0.0000678400000000 ] - [ -0.0000183700000000, 0.0004046800000000, -0.0001096600000000 ] - [ 0.0010056000000000, -0.0006229600000000, -0.0007160900000000 ] - [ 0.0004178800000000, -0.0002982300000000, -0.0004675600000000 ] - [ 0.0034221600000000, 0.0001203500000000, 0.0028995000000000 ] - [ 0.0005244400000000, 0.0000265700000000, 0.0007023000000000 ] - [ 0.0048665200000000, 0.0046545600000000, 0.0004221700000000 ] - [ -0.0000991700000000, -0.0002072400000000, -0.0003852300000000 ] - [ -0.0016785200000000, 0.0009763600000000, 0.0009801300000000 ] - [ -0.0002051700000000, 0.0006568000000000, 0.0004244800000000 ] - [ 0.0049092600000000, -0.0037833300000000, 0.0126567600000000 ] - [ -0.0007756100000000, 0.0010590100000000, 0.0002789900000000 ] - [ 0.0005348200000000, -0.0007699500000000, -0.0010659900000000 ] - [ 0.0004289400000000, 0.0005078600000000, -0.0001954100000000 ] - [ -0.0000550300000000, -0.0002317200000000, 0.0003049900000000 ] - [ 0.0003098100000000, 0.0001375800000000, 0.0005982900000000 ] - [ -0.0076530400000000, -0.0049282400000000, -0.0017334300000000 ] - [ 0.0001025100000000, 0.0002202200000000, -0.0005256500000000 ] - [ -0.0073690500000000, -0.0089942000000000, -0.0051581200000000 ] - [ -0.0030728800000000, 0.0066931500000000, 0.0000147000000000 ] - [ -0.0138275900000000, -0.0406512900000000, -0.0600811700000000 ] - [ -0.0008510300000000, 0.0004910300000000, -0.0024444900000000 ] - [ 0.0009423000000000, -0.0003498100000000, 0.0002959700000000 ] - [ 0.0008569200000000, 0.0003964800000000, 0.0000972600000000 ] - [ 0.0010963200000000, 0.0001181100000000, -0.0004674500000000 ] - [ 0.0004818400000000, 0.0003148800000000, -0.0001439800000000 ] - [ -0.0319306300000000, -0.0057644100000000, -0.0412036300000000 ] - [ -0.0001359500000000, 0.0014875400000000, -0.0005694100000000 ] - [ -0.0001494100000000, -0.0008472900000000, 0.0024035600000000 ] - [ 0.0003832500000000, 0.0004888400000000, 0.0001044200000000 ] - [ -0.0002905300000000, -0.0001465300000000, -0.0009704500000000 ] - [ 0.0006945000000000, 0.0001644600000000, -0.0017756300000000 ] - [ 0.0002639600000000, 0.0029840400000000, 0.0035412000000000 ] - [ -0.0005773600000000, -0.0020755500000000, 0.0015166600000000 ] - [ -0.0036387600000000, 0.0066637900000000, 0.0116328200000000 ] - [ -0.0007472900000000, 0.0000360100000000, 0.0022774200000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0031005700000000, 0.0019232100000000, 0.0016186500000000 ] - [ -0.0012263700000000, -0.0006256300000000, 0.0010604900000000 ] - [ 0.0003464800000000, -0.0000979900000000, 0.0000833300000000 ] - [ 0.0002915800000000, -0.0000720200000000, 0.0000684800000000 ] - [ 0.0020213200000000, -0.0002212500000000, -0.0008222300000000 ] - [ 0.0003395600000000, -0.0001225200000000, -0.0001797400000000 ] - [ -0.0004047600000000, 0.0004610400000000, -0.0008339000000000 ] - [ -0.0004024400000000, 0.0001306500000000, -0.0004779200000000 ] - [ 0.0007406800000000, 0.0002499500000000, 0.0004135000000000 ] - [ 0.0002415100000000, 0.0001421100000000, 0.0001995000000000 ] - [ -0.0031692500000000, 0.0006518200000000, -0.0066562200000000 ] - [ -0.0002982100000000, -0.0001596500000000, 0.0002105100000000 ] - [ -0.0020646000000000, 0.0000925700000000, -0.0010697800000000 ] - [ -0.0016425000000000, 0.0007919100000000, -0.0008583400000000 ] - [ 0.0011908600000000, -0.0000342300000000, -0.0003457700000000 ] - [ 0.0005733200000000, 0.0000992500000000, -0.0001606900000000 ] - [ -0.0962818100000000, -0.0138025300000000, 0.0722558700000000 ] - [ -0.0002350100000000, -0.0001439400000000, 0.0005868300000000 ] - [ 0.0003225700000000, 0.0002094500000000, 0.0003900600000000 ] - [ 0.0000677600000000, 0.0002570700000000, 0.0003013600000000 ] - [ 0.0006566400000000, 0.0004322200000000, -0.0000396500000000 ] - [ 0.0010639200000000, -0.0000097100000000, 0.0001003900000000 ] - [ -0.0007726400000000, -0.0005498600000000, -0.0005746800000000 ] - [ -0.0007756100000000, 0.0000007400000000, -0.0003409000000000 ] - [ 0.0003708000000000, 0.0000248400000000, 0.0001690600000000 ] - [ 0.0003506900000000, -0.0002935800000000, 0.0002852300000000 ] - [ -0.0014500300000000, 0.0001714700000000, 0.0008901100000000 ] - [ -0.0003195400000000, 0.0004830500000000, 0.0003574200000000 ] - [ -0.0038116300000000, 0.0020865900000000, 0.0057105700000000 ] - [ -0.0006591000000000, 0.0002832300000000, -0.0001365200000000 ] - [ -0.0003394400000000, 0.0007103200000000, 0.0000109700000000 ] - [ -0.0006151400000000, 0.0001196800000000, -0.0000576300000000 ] - [ 0.0012911300000000, -0.0001218000000000, -0.0003489400000000 ] - [ 0.0005954800000000, -0.0000538400000000, -0.0001324400000000 ] - [ 0.0006133200000000, -0.0000679200000000, 0.0002185500000000 ] - [ 0.0001689500000000, 0.0000911700000000, 0.0000152800000000 ] - [ 0.0010712300000000, 0.0011316400000000, 0.0002874700000000 ] - [ 0.0002274200000000, -0.0002693300000000, 0.0001056800000000 ] - [ -0.0004018500000000, -0.0010598600000000, -0.0009590700000000 ] - [ -0.0001112900000000, 0.0003196500000000, -0.0000616900000000 ] - [ 0.0012735900000000, -0.0012695900000000, 0.0002709500000000 ] - [ 0.0003381900000000, 0.0003251600000000, -0.0002150300000000 ] - [ -0.0005024400000000, 0.0013527200000000, -0.0010614700000000 ] - [ -0.0004288900000000, -0.0008063300000000, -0.0007615500000000 ] - [ 0.0027948500000000, 0.0062996400000000, -0.0081882200000000 ] - [ -0.0001440500000000, -0.0000882400000000, -0.0002183500000000 ] - [ 0.0003033200000000, -0.0000525300000000, -0.0000712900000000 ] - [ 0.0002226800000000, 0.0003078400000000, -0.0000839900000000 ] - [ 0.0001302800000000, 0.0003678400000000, 0.0009386800000000 ] - [ -0.0002366300000000, 0.0000444600000000, 0.0002620900000000 ] - [ 0.0017135800000000, 0.0002162400000000, -0.0025024000000000 ] - [ 0.0002713900000000, -0.0001329700000000, 0.0002078900000000 ] - [ 0.0003624500000000, 0.0019023700000000, -0.0010725200000000 ] - [ 0.0001983400000000, -0.0007195100000000, -0.0013173200000000 ] - [ 0.0005232100000000, -0.0001975300000000, 0.0006271300000000 ] - [ 0.0014443800000000, 0.0014369400000000, 0.0013243600000000 ] - [ 0.0007986400000000, 0.0008175000000000, 0.0002341400000000 ] - [ 0.0003709500000000, -0.0012929400000000, 0.0010177900000000 ] - [ 0.0001229300000000, 0.0002719600000000, -0.0001385500000000 ] - [ 0.0001245400000000, 0.0003921700000000, -0.0000274900000000 ] - [ 0.0064665200000000, -0.0001326700000000, 0.0025236000000000 ] - [ -0.0000133700000000, 0.0002544500000000, 0.0001955000000000 ] - [ 0.0003719500000000, 0.0001076200000000, -0.0006087000000000 ] - [ 0.0001714500000000, -0.0002332900000000, -0.0000990000000000 ] - [ 0.0002686400000000, 0.0004271800000000, 0.0000955500000000 ] - [ -0.0001748600000000, 0.0000702900000000, 0.0001437100000000 ] - [ 0.0042308900000000, -0.0083450900000000, -0.0051850300000000 ] - [ -0.0000974200000000, 0.0004326000000000, 0.0001245400000000 ] - [ -0.0020554700000000, -0.0001691100000000, -0.0006065700000000 ] - [ -0.0009624500000000, 0.0001238100000000, -0.0001277300000000 ] - [ 0.0034135700000000, 0.0002415300000000, 0.0002034200000000 ] - [ 0.0010541900000000, 0.0000595000000000, 0.0002562000000000 ] - [ 0.0079501500000000, 0.0082944100000000, 0.0068304400000000 ] - [ -0.0001611500000000, 0.0000428400000000, 0.0003687800000000 ] - [ 0.0005475900000000, -0.0002009200000000, -0.0001978400000000 ] - [ 0.0004048700000000, 0.0001416100000000, 0.0000617100000000 ] - [ 0.0028776200000000, -0.0009085900000000, -0.0004147300000000 ] - [ 0.0005459900000000, 0.0000150400000000, 0.0000624100000000 ] - [ 0.0033212800000000, -0.0117586800000000, -0.0067115700000000 ] - [ -0.0002890800000000, 0.0005281400000000, -0.0000878500000000 ] - [ -0.0000615900000000, -0.0000649400000000, -0.0003147800000000 ] - [ 0.0000983200000000, -0.0002853800000000, -0.0002422700000000 ] - [ 0.0005070400000000, 0.0000696600000000, -0.0012452600000000 ] - [ 0.0001618400000000, -0.0005038000000000, -0.0003097700000000 ] - [ -0.0008057700000000, 0.0000287600000000, 0.0000372000000000 ] - [ -0.0004790600000000, 0.0006731300000000, -0.0000060800000000 ] - [ -0.0009454400000000, 0.0003065700000000, 0.0000623300000000 ] - [ -0.0001569200000000, 0.0005003800000000, -0.0001591500000000 ] - [ -0.0010305200000000, -0.0000710200000000, -0.0002616100000000 ] - [ -0.0006187300000000, -0.0002864300000000, -0.0001498200000000 ] - [ 0.0010952900000000, 0.0003301600000000, 0.0009000400000000 ] - [ 0.0005273400000000, 0.0002168600000000, -0.0000120500000000 ] - [ 0.0030170600000000, 0.0018079800000000, -0.0011901400000000 ] - [ 0.0005058800000000, 0.0011047500000000, -0.0004825100000000 ] - [ 0.0001643500000000, 0.0005699000000000, -0.0017519500000000 ] - [ 0.0004088300000000, -0.0005870800000000, -0.0002237600000000 ] - [ -0.0081968000000000, 0.0015316100000000, 0.0025995300000000 ] - [ -0.0000717700000000, -0.0000805900000000, -0.0000020300000000 ] - [ -0.0003130000000000, -0.0006708200000000, 0.0017863000000000 ] - [ -0.0001162400000000, -0.0011963600000000, 0.0009354700000000 ] - [ -0.0050151500000000, -0.0037711200000000, 0.0014457600000000 ] - [ -0.0000688700000000, 0.0006086200000000, -0.0009153000000000 ] - [ -0.0014317800000000, 0.0002563100000000, -0.0001502900000000 ] - [ -0.0006184300000000, -0.0000717100000000, -0.0000655300000000 ] - [ 0.0606213100000000, -0.0072126800000000, -0.0739095700000000 ] - [ 0.0009141200000000, -0.0004693500000000, -0.0001650100000000 ] - [ 0.0016073600000000, 0.0014630400000000, 0.0015812000000000 ] - [ 0.0009256600000000, -0.0014297100000000, 0.0004527700000000 ] - [ -0.0005525600000000, -0.0009727800000000, 0.0001897600000000 ] - [ -0.0001121100000000, -0.0001279800000000, 0.0002402000000000 ] - [ -0.0010624800000000, -0.0007559100000000, -0.0001328200000000 ] - [ -0.0010609500000000, 0.0010647700000000, -0.0000599400000000 ] - [ -0.0019054800000000, -0.0001508300000000, -0.0004805600000000 ] - [ -0.0011354900000000, 0.0000434300000000, -0.0004102800000000 ] - [ 0.0265613400000000, 0.0203644300000000, 0.0131060300000000 ] - [ 0.0014827100000000, -0.0000421800000000, -0.0011561300000000 ] - [ 0.0025021700000000, -0.0017255900000000, 0.0008723500000000 ] - [ 0.0009663000000000, -0.0001797600000000, 0.0012480900000000 ] - [ -0.0044809000000000, -0.0008677300000000, -0.0026507400000000 ] - [ -0.0004626600000000, 0.0000982200000000, -0.0002153300000000 ] - [ -0.0005304100000000, -0.0007973700000000, 0.0041201400000000 ] - [ 0.0003646600000000, 0.0003152600000000, 0.0002746700000000 ] - [ 0.0011605800000000, -0.0073910500000000, -0.0004816200000000 ] - [ 0.0029661100000000, 0.0072078400000000, 0.0001044400000000 ] - [ -0.0007558900000000, 0.0002486000000000, -0.0002625600000000 ] - [ -0.0015264700000000, -0.0001217400000000, -0.0009554700000000 ] - [ -0.0041799900000000, 0.0000035100000000, 0.0007528000000000 ] - [ -0.0008784700000000, -0.0003037200000000, 0.0003183100000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0031934000000000, -0.0017340000000000, -0.0016988400000000 ] - [ 0.0013463600000000, 0.0008318000000000, -0.0011469300000000 ] - [ -0.0004713400000000, -0.0001051500000000, -0.0001755000000000 ] - [ -0.0004152900000000, -0.0001328500000000, -0.0001592400000000 ] - [ -0.0019022800000000, 0.0000174300000000, 0.0007346700000000 ] - [ -0.0002146900000000, -0.0000810400000000, 0.0000874600000000 ] - [ 0.0002805300000000, -0.0002528400000000, 0.0007372100000000 ] - [ 0.0002771900000000, 0.0000730900000000, 0.0003856200000000 ] - [ -0.0009803100000000, -0.0000671100000000, -0.0004257400000000 ] - [ -0.0004799700000000, 0.0000402400000000, -0.0002107600000000 ] - [ 0.0034661700000000, -0.0008589600000000, 0.0066265900000000 ] - [ 0.0005363700000000, -0.0000242200000000, -0.0002218100000000 ] - [ 0.0018183800000000, -0.0002747300000000, 0.0010527100000000 ] - [ 0.0014030400000000, -0.0009744200000000, 0.0008511600000000 ] - [ -0.0009511600000000, 0.0002182100000000, 0.0003349100000000 ] - [ -0.0003341900000000, 0.0000837000000000, 0.0001489400000000 ] - [ 0.0968726700000000, 0.0140559000000000, -0.0695754600000000 ] - [ 0.0006095600000000, -0.0003128600000000, -0.0001717800000000 ] - [ -0.0006947200000000, 0.0002412400000000, 0.0000341000000000 ] - [ -0.0004467200000000, 0.0001957800000000, 0.0001114900000000 ] - [ -0.0002769300000000, 0.0000157000000000, 0.0004561400000000 ] - [ -0.0006833500000000, 0.0004643000000000, 0.0003078600000000 ] - [ 0.0003966500000000, 0.0000985400000000, 0.0009936600000000 ] - [ 0.0003942700000000, -0.0004516900000000, 0.0007509200000000 ] - [ -0.0008994400000000, -0.0002280200000000, -0.0001807000000000 ] - [ -0.0008744700000000, 0.0000903700000000, -0.0002903200000000 ] - [ 0.0019847200000000, 0.0000176700000000, -0.0009200900000000 ] - [ 0.0008471200000000, -0.0002746300000000, -0.0003622300000000 ] - [ 0.0032629200000000, -0.0018520300000000, -0.0057219800000000 ] - [ 0.0001338300000000, -0.0000814000000000, 0.0001290300000000 ] - [ -0.0000263200000000, -0.0003533300000000, 0.0001681400000000 ] - [ 0.0002432500000000, 0.0002373000000000, 0.0002356100000000 ] - [ -0.0007535100000000, -0.0000826800000000, 0.0003344600000000 ] - [ -0.0000651600000000, -0.0001528300000000, 0.0001260500000000 ] - [ -0.0006544800000000, 0.0002918600000000, -0.0002170700000000 ] - [ -0.0002019100000000, 0.0001221000000000, -0.0000164900000000 ] - [ -0.0010394800000000, -0.0009148700000000, -0.0002898200000000 ] - [ -0.0001995600000000, 0.0004820900000000, -0.0001078900000000 ] - [ 0.0003657300000000, 0.0008350900000000, 0.0009584500000000 ] - [ 0.0000806600000000, -0.0005318200000000, 0.0000601500000000 ] - [ -0.0009867600000000, 0.0012162100000000, -0.0007250000000000 ] - [ -0.0000439400000000, -0.0003962800000000, -0.0002384900000000 ] - [ 0.0002130400000000, -0.0012841600000000, 0.0006081400000000 ] - [ 0.0001328700000000, 0.0008757500000000, 0.0003055200000000 ] - [ -0.0024813900000000, -0.0061542100000000, 0.0076306800000000 ] - [ 0.0004398200000000, 0.0001511100000000, -0.0002381700000000 ] - [ -0.0006034200000000, -0.0000224200000000, -0.0003869300000000 ] - [ -0.0005169800000000, -0.0003701800000000, -0.0003699500000000 ] - [ -0.0006219300000000, -0.0004018000000000, -0.0004931500000000 ] - [ -0.0002549300000000, -0.0000774400000000, 0.0001838000000000 ] - [ -0.0012256700000000, -0.0001850700000000, 0.0029697300000000 ] - [ 0.0002241600000000, 0.0001623800000000, 0.0002470400000000 ] - [ -0.0008548600000000, -0.0018647100000000, 0.0015191900000000 ] - [ -0.0006889400000000, 0.0007472600000000, 0.0017596300000000 ] - [ -0.0000300700000000, 0.0001689300000000, -0.0001735300000000 ] - [ -0.0009484700000000, -0.0014571100000000, -0.0008709300000000 ] - [ -0.0009445100000000, -0.0012666100000000, -0.0000017200000000 ] - [ -0.0005061800000000, 0.0008340300000000, -0.0007813800000000 ] - [ 0.0000123500000000, 0.0001829800000000, 0.0003738600000000 ] - [ 0.0000117400000000, 0.0000649400000000, 0.0002702500000000 ] - [ -0.0066740200000000, 0.0005978700000000, -0.0023060000000000 ] - [ -0.0001241100000000, 0.0001983300000000, 0.0000360000000000 ] - [ -0.0002284700000000, -0.0005636100000000, 0.0008467100000000 ] - [ -0.0000331800000000, -0.0002236800000000, 0.0003395400000000 ] - [ -0.0011954700000000, -0.0001110200000000, 0.0000991900000000 ] - [ -0.0007446000000000, 0.0002506200000000, 0.0000511000000000 ] - [ -0.0033494400000000, 0.0081342600000000, 0.0054212100000000 ] - [ 0.0010302700000000, -0.0007487100000000, 0.0000723400000000 ] - [ 0.0011232500000000, -0.0001436400000000, 0.0008020400000000 ] - [ 0.0000378600000000, -0.0004453000000000, 0.0003244400000000 ] - [ -0.0024831400000000, 0.0000740600000000, -0.0000094600000000 ] - [ -0.0001243500000000, 0.0002541500000000, -0.0000604300000000 ] - [ -0.0074600000000000, -0.0078554800000000, -0.0065066800000000 ] - [ 0.0005279300000000, 0.0003036100000000, -0.0001870500000000 ] - [ -0.0009189900000000, -0.0001557900000000, 0.0003760200000000 ] - [ -0.0007801500000000, -0.0004968900000000, 0.0001178000000000 ] - [ -0.0025042900000000, 0.0005564000000000, 0.0005959000000000 ] - [ -0.0001794100000000, -0.0003660300000000, 0.0001190300000000 ] - [ -0.0032145900000000, 0.0114113600000000, 0.0066205900000000 ] - [ 0.0003182000000000, -0.0007513800000000, 0.0000922100000000 ] - [ 0.0005934200000000, -0.0003260600000000, -0.0000820700000000 ] - [ 0.0004328900000000, -0.0001058400000000, -0.0001552600000000 ] - [ -0.0008471300000000, -0.0008726500000000, 0.0008908700000000 ] - [ -0.0005079100000000, -0.0002992200000000, -0.0000441800000000 ] - [ 0.0004570000000000, 0.0007764300000000, -0.0003943500000000 ] - [ 0.0001303200000000, 0.0001314400000000, -0.0003504700000000 ] - [ 0.0012921800000000, 0.0004974400000000, -0.0004158500000000 ] - [ 0.0005046500000000, 0.0003057700000000, -0.0001969700000000 ] - [ 0.0004992900000000, -0.0003203000000000, -0.0001357100000000 ] - [ 0.0000885100000000, -0.0001049800000000, -0.0002471200000000 ] - [ -0.0005617500000000, 0.0000602400000000, -0.0012972600000000 ] - [ 0.0000055300000000, 0.0001729400000000, -0.0003853900000000 ] - [ -0.0035898900000000, -0.0015714700000000, 0.0008586800000000 ] - [ -0.0010405900000000, -0.0007132500000000, 0.0000870000000000 ] - [ 0.0001791700000000, -0.0013733900000000, 0.0013981600000000 ] - [ -0.0000616700000000, -0.0002160700000000, -0.0001313400000000 ] - [ 0.0083830700000000, -0.0014764200000000, -0.0024316000000000 ] - [ 0.0002501400000000, 0.0001557500000000, 0.0001887700000000 ] - [ 0.0001350700000000, 0.0007372700000000, -0.0015906200000000 ] - [ -0.0000609900000000, 0.0012683400000000, -0.0007497800000000 ] - [ 0.0051906800000000, 0.0036893700000000, -0.0012461900000000 ] - [ 0.0002469600000000, -0.0006818200000000, 0.0011043500000000 ] - [ 0.0011635500000000, -0.0000845900000000, 0.0000254600000000 ] - [ 0.0003532600000000, 0.0002427400000000, -0.0000579000000000 ] - [ -0.0602352100000000, 0.0066205600000000, 0.0717076100000000 ] - [ -0.0006511100000000, 0.0003058000000000, 0.0000347100000000 ] - [ -0.0018754900000000, -0.0016272200000000, -0.0017096300000000 ] - [ -0.0011866600000000, 0.0012541800000000, -0.0005733200000000 ] - [ 0.0003666900000000, 0.0009028400000000, 0.0000001100000000 ] - [ -0.0000742700000000, 0.0000462600000000, -0.0000512300000000 ] - [ 0.0013292800000000, 0.0009291600000000, 0.0000074600000000 ] - [ 0.0013231900000000, -0.0008961400000000, -0.0000581100000000 ] - [ 0.0016227400000000, 0.0000257900000000, 0.0004233400000000 ] - [ 0.0008522100000000, -0.0001700100000000, 0.0003521400000000 ] - [ -0.0266592200000000, -0.0204526500000000, -0.0133156900000000 ] - [ -0.0011997300000000, 0.0001704200000000, 0.0010962100000000 ] - [ -0.0027757300000000, 0.0018263300000000, -0.0009389300000000 ] - [ -0.0012493600000000, 0.0003090100000000, -0.0013081800000000 ] - [ 0.0044293700000000, 0.0010273000000000, 0.0024946000000000 ] - [ 0.0004060900000000, 0.0000579600000000, 0.0000508200000000 ] - [ 0.0005487900000000, 0.0006387000000000, -0.0042809700000000 ] - [ -0.0003112100000000, -0.0004708100000000, -0.0004397200000000 ] - [ -0.0011893100000000, 0.0072152000000000, 0.0002774700000000 ] - [ -0.0030137900000000, -0.0073473900000000, -0.0002697200000000 ] - [ 0.0008110900000000, -0.0000914600000000, 0.0000964500000000 ] - [ 0.0015801700000000, 0.0002748300000000, 0.0007888800000000 ] - [ 0.0044605400000000, -0.0001334600000000, -0.0008137200000000 ] - [ 0.0011584000000000, 0.0001794900000000, -0.0003775500000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0061734300000000, 0.0113759300000000, -0.0028176000000000 ] - [ -0.0003832200000000, 0.0048749500000000, -0.0013414900000000 ] - [ -0.0002489300000000, -0.0001056500000000, 0.0001920400000000 ] - [ 0.0001011300000000, 0.0000497500000000, 0.0001023500000000 ] - [ 0.0002635000000000, -0.0007866100000000, -0.0007767900000000 ] - [ -0.0000119200000000, 0.0002989900000000, 0.0001600600000000 ] - [ 0.0008076000000000, -0.0011429200000000, 0.0034356700000000 ] - [ -0.0001378500000000, 0.0007950100000000, -0.0002397800000000 ] - [ -0.0002400000000000, -0.0004335400000000, -0.0003240300000000 ] - [ -0.0000458800000000, 0.0004987600000000, 0.0001593300000000 ] - [ -0.0013912600000000, -0.0051358200000000, 0.0005565000000000 ] - [ 0.0003440800000000, 0.0010992600000000, -0.0004006200000000 ] - [ 0.0004745900000000, 0.0014690100000000, 0.0015399700000000 ] - [ -0.0007748800000000, 0.0008981600000000, -0.0021613600000000 ] - [ 0.0001325900000000, 0.0002863500000000, 0.0003443100000000 ] - [ -0.0000327800000000, 0.0000327800000000, -0.0000851600000000 ] - [ -0.0139280800000000, -0.1232759200000000, -0.0967133200000000 ] - [ 0.0002627000000000, 0.0022472200000000, 0.0009288500000000 ] - [ -0.0001989700000000, -0.0003519300000000, 0.0007664000000000 ] - [ -0.0001495300000000, 0.0006417900000000, 0.0000370300000000 ] - [ -0.0000301600000000, 0.0002698100000000, 0.0001495200000000 ] - [ 0.0004146200000000, 0.0005178500000000, -0.0002641900000000 ] - [ -0.0004046200000000, -0.0000032900000000, 0.0004938600000000 ] - [ 0.0001469600000000, -0.0000013500000000, 0.0009725800000000 ] - [ -0.0006029500000000, -0.0001385300000000, -0.0000225500000000 ] - [ -0.0000687700000000, 0.0000857100000000, -0.0001816500000000 ] - [ -0.0000197000000000, 0.0023036600000000, 0.0042376600000000 ] - [ 0.0006618200000000, 0.0007879000000000, -0.0008115800000000 ] - [ 0.0014067600000000, -0.0004717600000000, 0.0133682100000000 ] - [ -0.0003507500000000, 0.0013101800000000, 0.0001914600000000 ] - [ 0.0013426600000000, 0.0001366500000000, 0.0009569300000000 ] - [ -0.0007336300000000, 0.0005981900000000, -0.0000648400000000 ] - [ 0.0002002400000000, -0.0007315500000000, 0.0005959600000000 ] - [ 0.0002420100000000, 0.0003304000000000, -0.0002735900000000 ] - [ 0.0003871000000000, -0.0005514900000000, 0.0004186300000000 ] - [ -0.0003393300000000, 0.0008635600000000, -0.0000892400000000 ] - [ 0.0001745100000000, -0.0005027500000000, -0.0001301600000000 ] - [ 0.0000830100000000, 0.0006577400000000, -0.0000885100000000 ] - [ -0.0004090700000000, -0.0014771400000000, 0.0010169500000000 ] - [ 0.0003653900000000, 0.0007345600000000, -0.0000686000000000 ] - [ 0.0002022400000000, -0.0003896900000000, -0.0005014000000000 ] - [ 0.0001297200000000, 0.0003399700000000, -0.0001694800000000 ] - [ 0.0001964800000000, -0.0008805000000000, -0.0004530400000000 ] - [ -0.0005967700000000, 0.0015266700000000, 0.0003725600000000 ] - [ 0.0024666300000000, -0.0047955000000000, -0.0052302300000000 ] - [ 0.0003612700000000, 0.0029338400000000, -0.0000122700000000 ] - [ -0.0004101400000000, -0.0011314200000000, -0.0000195900000000 ] - [ 0.0001792600000000, 0.0009935000000000, -0.0000823100000000 ] - [ 0.0003416300000000, -0.0006569200000000, -0.0002102800000000 ] - [ -0.0002965200000000, 0.0004052600000000, 0.0004305200000000 ] - [ 0.0000930800000000, -0.0024103300000000, 0.0004401200000000 ] - [ 0.0003058400000000, 0.0009739100000000, -0.0000684700000000 ] - [ 0.0001658400000000, 0.0005003200000000, -0.0006305000000000 ] - [ -0.0012608200000000, 0.0011921900000000, 0.0021420800000000 ] - [ -0.0004038500000000, -0.0000420400000000, -0.0004881200000000 ] - [ 0.0013112900000000, 0.0006957300000000, 0.0013049600000000 ] - [ 0.0019840300000000, -0.0004184300000000, -0.0005047900000000 ] - [ -0.0013131600000000, 0.0014551500000000, -0.0010479800000000 ] - [ -0.0005550300000000, 0.0002644800000000, 0.0009129500000000 ] - [ 0.0003109500000000, 0.0004390500000000, 0.0002318700000000 ] - [ -0.0011293800000000, -0.0018179700000000, -0.0014122000000000 ] - [ 0.0001945300000000, 0.0007561100000000, 0.0003477000000000 ] - [ 0.0003353600000000, -0.0007649800000000, 0.0006187500000000 ] - [ -0.0000540200000000, 0.0001765400000000, 0.0001254700000000 ] - [ -0.0000740000000000, -0.0000471500000000, 0.0001320200000000 ] - [ -0.0004884100000000, 0.0003559100000000, 0.0001067300000000 ] - [ -0.0072279800000000, 0.0024257600000000, 0.0052206900000000 ] - [ 0.0014156500000000, 0.0013267200000000, -0.0003254800000000 ] - [ -0.0017972300000000, -0.0005843700000000, 0.0016802600000000 ] - [ -0.0003820200000000, 0.0005514700000000, -0.0001671800000000 ] - [ 0.0024996000000000, -0.0000288000000000, 0.0002723600000000 ] - [ -0.0002826700000000, 0.0006265200000000, -0.0002498500000000 ] - [ 0.0063603000000000, 0.0002142100000000, 0.0023850100000000 ] - [ -0.0001657700000000, 0.0013894800000000, -0.0005116700000000 ] - [ -0.0013139800000000, -0.0007531000000000, 0.0003860900000000 ] - [ 0.0002112700000000, 0.0003220300000000, 0.0000955100000000 ] - [ -0.0018865300000000, -0.0007014000000000, 0.0000275900000000 ] - [ 0.0005338700000000, 0.0001100900000000, 0.0000443800000000 ] - [ -0.0100191000000000, 0.0087920000000000, 0.0090959300000000 ] - [ 0.0001571000000000, 0.0033339000000000, -0.0014392700000000 ] - [ 0.0002188100000000, 0.0000315400000000, -0.0002582900000000 ] - [ 0.0002436400000000, -0.0004300500000000, -0.0002160100000000 ] - [ 0.0006167500000000, 0.0005431900000000, 0.0010780200000000 ] - [ -0.0003575000000000, -0.0013294800000000, -0.0005566700000000 ] - [ -0.0002983400000000, 0.0006851400000000, -0.0002247100000000 ] - [ -0.0000604000000000, 0.0000196300000000, -0.0002641000000000 ] - [ -0.0002199700000000, 0.0009929800000000, 0.0001297200000000 ] - [ 0.0005379300000000, -0.0001811600000000, -0.0003131700000000 ] - [ 0.0000490800000000, 0.0004064100000000, 0.0000765300000000 ] - [ -0.0004549200000000, -0.0007383100000000, -0.0002267400000000 ] - [ 0.0006810000000000, 0.0012176600000000, -0.0001771500000000 ] - [ 0.0002131700000000, -0.0006077000000000, -0.0004266800000000 ] - [ 0.0006674900000000, 0.0053631700000000, -0.0000228700000000 ] - [ 0.0004332600000000, -0.0017755100000000, -0.0005750800000000 ] - [ 0.0006209400000000, 0.0007192800000000, 0.0010040800000000 ] - [ -0.0002259100000000, -0.0012271700000000, -0.0003426900000000 ] - [ 0.0064881300000000, 0.0066265800000000, 0.0011536100000000 ] - [ -0.0009448400000000, -0.0014049800000000, 0.0001461500000000 ] - [ 0.0016377400000000, 0.0007769100000000, -0.0023046400000000 ] - [ -0.0005759700000000, -0.0008771700000000, 0.0005632500000000 ] - [ -0.0048647900000000, -0.0020303300000000, 0.0002024500000000 ] - [ 0.0012528200000000, -0.0011981900000000, 0.0019427900000000 ] - [ -0.0002326800000000, 0.0013798600000000, -0.0009209500000000 ] - [ -0.0001182900000000, -0.0010622800000000, 0.0001262700000000 ] - [ -0.0037024200000000, 0.0270098200000000, 0.0134356300000000 ] - [ 0.0009143300000000, -0.0047372200000000, -0.0000054800000000 ] - [ 0.0012764200000000, -0.0004669000000000, -0.0027004900000000 ] - [ -0.0013986200000000, -0.0005312500000000, 0.0000847500000000 ] - [ -0.0016212800000000, 0.0010490500000000, -0.0005112300000000 ] - [ 0.0002566700000000, -0.0007005700000000, 0.0000274800000000 ] - [ 0.0004838900000000, -0.0000075600000000, 0.0000109300000000 ] - [ -0.0003202200000000, -0.0000797100000000, 0.0005106700000000 ] - [ 0.0006807300000000, 0.0006748500000000, -0.0003355500000000 ] - [ -0.0005685100000000, -0.0008304200000000, -0.0000208100000000 ] - [ 0.0196765300000000, 0.0798956400000000, 0.0513344800000000 ] - [ -0.0008695900000000, -0.0048032000000000, 0.0020626500000000 ] - [ -0.0006512000000000, -0.0025869500000000, -0.0064156200000000 ] - [ 0.0007032600000000, -0.0020991700000000, 0.0009273600000000 ] - [ -0.0001150300000000, 0.0015341900000000, 0.0015560600000000 ] - [ -0.0001656500000000, -0.0010445300000000, -0.0005017700000000 ] - [ 0.0011453900000000, 0.0029333500000000, -0.0028775200000000 ] - [ 0.0000047500000000, -0.0024961100000000, 0.0003090700000000 ] - [ -0.0060660200000000, -0.0017260600000000, 0.0108022200000000 ] - [ 0.0007236300000000, -0.0114511700000000, -0.0025207600000000 ] - [ 0.0010926600000000, 0.0003654100000000, -0.0001011800000000 ] - [ -0.0008411300000000, -0.0004273500000000, -0.0013491300000000 ] - [ -0.0000825900000000, 0.0004811500000000, -0.0000789900000000 ] - [ 0.0005558600000000, -0.0005874000000000, 0.0001455000000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0059193900000000, -0.0108999500000000, 0.0026570400000000 ] - [ 0.0005225000000000, -0.0046861100000000, 0.0012362800000000 ] - [ 0.0001190300000000, -0.0000971800000000, -0.0002892800000000 ] - [ -0.0002298100000000, -0.0002577100000000, -0.0001998700000000 ] - [ -0.0001347800000000, 0.0005789800000000, 0.0006758900000000 ] - [ 0.0001363400000000, -0.0005079400000000, -0.0002574600000000 ] - [ -0.0009252100000000, 0.0013504200000000, -0.0035113400000000 ] - [ 0.0000113700000000, -0.0005855900000000, 0.0001441400000000 ] - [ 0.0000077600000000, 0.0006036700000000, 0.0003091800000000 ] - [ -0.0001878100000000, -0.0003269000000000, -0.0001733200000000 ] - [ 0.0016334900000000, 0.0049033900000000, -0.0005514800000000 ] - [ -0.0001133700000000, -0.0012681000000000, 0.0003892700000000 ] - [ -0.0007047500000000, -0.0016206700000000, -0.0015663400000000 ] - [ 0.0005508700000000, -0.0010759300000000, 0.0021378500000000 ] - [ 0.0000943600000000, -0.0001168900000000, -0.0003569500000000 ] - [ 0.0002599000000000, 0.0001363700000000, 0.0000728200000000 ] - [ 0.0139673500000000, 0.1199955800000000, 0.0928960200000000 ] - [ 0.0001055700000000, -0.0027023900000000, -0.0005216300000000 ] - [ -0.0001683600000000, 0.0008082000000000, -0.0003525100000000 ] - [ -0.0002168700000000, -0.0001818100000000, 0.0003748700000000 ] - [ 0.0003967400000000, 0.0001886100000000, 0.0002617000000000 ] - [ -0.0000505700000000, -0.0000602000000000, 0.0006766500000000 ] - [ 0.0000425100000000, -0.0004540200000000, -0.0000739500000000 ] - [ -0.0005115300000000, -0.0004497500000000, -0.0005526400000000 ] - [ 0.0000845400000000, -0.0000564500000000, 0.0000098100000000 ] - [ -0.0004492300000000, -0.0002830300000000, 0.0001702200000000 ] - [ 0.0005352300000000, -0.0021141100000000, -0.0042528000000000 ] - [ -0.0001464700000000, -0.0005905300000000, 0.0008072800000000 ] - [ -0.0019264600000000, 0.0007916700000000, -0.0133121400000000 ] - [ -0.0001599500000000, -0.0011145100000000, -0.0002027900000000 ] - [ -0.0016995900000000, 0.0002210200000000, -0.0007728500000000 ] - [ 0.0003605600000000, -0.0002482400000000, 0.0002438500000000 ] - [ 0.0003129800000000, 0.0005342600000000, -0.0006053500000000 ] - [ 0.0002709000000000, -0.0005268000000000, 0.0002652100000000 ] - [ -0.0004245400000000, 0.0007700000000000, -0.0004273300000000 ] - [ 0.0003081900000000, -0.0006434000000000, 0.0000798200000000 ] - [ -0.0001413700000000, 0.0007235500000000, 0.0001191400000000 ] - [ -0.0000462600000000, -0.0004386700000000, 0.0000792700000000 ] - [ 0.0003667200000000, 0.0012473300000000, -0.0010178500000000 ] - [ -0.0004042400000000, -0.0009496300000000, 0.0000634100000000 ] - [ 0.0000655900000000, 0.0003160600000000, 0.0000792600000000 ] - [ 0.0001370400000000, -0.0004058800000000, -0.0002544500000000 ] - [ -0.0004642700000000, 0.0009527600000000, 0.0000378400000000 ] - [ 0.0003289000000000, -0.0014520700000000, -0.0007907400000000 ] - [ -0.0022472500000000, 0.0047447800000000, 0.0048415700000000 ] - [ -0.0000933700000000, -0.0028605300000000, -0.0004151800000000 ] - [ 0.0001481900000000, 0.0010607500000000, -0.0003967400000000 ] - [ -0.0004452800000000, -0.0010615200000000, -0.0003393400000000 ] - [ -0.0008456700000000, 0.0005878100000000, 0.0006602700000000 ] - [ -0.0002100000000000, -0.0004729700000000, 0.0000177900000000 ] - [ 0.0004133400000000, 0.0024753800000000, 0.0000104700000000 ] - [ 0.0002002200000000, -0.0009085600000000, 0.0005229700000000 ] - [ -0.0006791300000000, -0.0004529100000000, 0.0010902800000000 ] - [ 0.0007525500000000, -0.0011105500000000, -0.0016952400000000 ] - [ 0.0009157900000000, -0.0000174400000000, 0.0009473700000000 ] - [ -0.0008020400000000, -0.0007722800000000, -0.0008531700000000 ] - [ -0.0021305200000000, -0.0000516700000000, 0.0007359100000000 ] - [ 0.0011628000000000, -0.0019026200000000, 0.0012748000000000 ] - [ 0.0007089100000000, 0.0001984000000000, -0.0006524100000000 ] - [ -0.0001533300000000, 0.0000165700000000, 0.0000175300000000 ] - [ 0.0009821900000000, 0.0022690100000000, 0.0016574300000000 ] - [ -0.0003503400000000, -0.0003021900000000, -0.0001122800000000 ] - [ -0.0001803200000000, 0.0003080400000000, -0.0003714200000000 ] - [ 0.0002059900000000, -0.0006335300000000, 0.0001243900000000 ] - [ -0.0008542700000000, 0.0003693000000000, 0.0000654600000000 ] - [ -0.0004398200000000, -0.0000319200000000, 0.0000905100000000 ] - [ 0.0079939600000000, -0.0026644200000000, -0.0049465900000000 ] - [ -0.0004821400000000, -0.0016503500000000, 0.0005252400000000 ] - [ 0.0008646500000000, 0.0002530200000000, -0.0014744500000000 ] - [ -0.0005436200000000, -0.0008847700000000, 0.0003648200000000 ] - [ -0.0015687100000000, 0.0003561500000000, -0.0000752900000000 ] - [ 0.0012224200000000, -0.0003035000000000, 0.0004483300000000 ] - [ -0.0059463000000000, 0.0000738800000000, -0.0022040700000000 ] - [ 0.0005335700000000, -0.0010428600000000, 0.0006930200000000 ] - [ 0.0009323200000000, 0.0003929200000000, -0.0002097300000000 ] - [ -0.0005817000000000, -0.0006788200000000, 0.0000828700000000 ] - [ 0.0022409100000000, 0.0003372900000000, 0.0001469300000000 ] - [ -0.0001727900000000, -0.0004557500000000, 0.0001362600000000 ] - [ 0.0101623800000000, -0.0089755900000000, -0.0091530900000000 ] - [ -0.0001190800000000, -0.0035340600000000, 0.0014136500000000 ] - [ 0.0003075100000000, -0.0004249300000000, -0.0001385100000000 ] - [ 0.0002827300000000, 0.0000342200000000, -0.0001806700000000 ] - [ -0.0009695500000000, -0.0013524100000000, -0.0014443300000000 ] - [ 0.0000028800000000, 0.0005208200000000, 0.0001903200000000 ] - [ -0.0000538500000000, 0.0001234800000000, -0.0001412900000000 ] - [ -0.0002903300000000, 0.0007888300000000, -0.0000996300000000 ] - [ 0.0005795200000000, -0.0001815600000000, -0.0004902500000000 ] - [ -0.0001858000000000, 0.0009883000000000, -0.0000474000000000 ] - [ -0.0005743400000000, -0.0008007700000000, -0.0004733400000000 ] - [ -0.0000705600000000, 0.0003439000000000, -0.0001708600000000 ] - [ -0.0001572600000000, -0.0008191100000000, -0.0002322400000000 ] - [ 0.0003129300000000, 0.0009990900000000, 0.0000281900000000 ] - [ -0.0014250000000000, -0.0052900700000000, -0.0002056500000000 ] - [ -0.0009518800000000, 0.0021608100000000, 0.0001763200000000 ] - [ -0.0002738100000000, -0.0015144100000000, -0.0013640300000000 ] - [ 0.0005777500000000, 0.0004188400000000, -0.0000164700000000 ] - [ -0.0062734100000000, -0.0065251700000000, -0.0009501500000000 ] - [ 0.0011300100000000, 0.0014681100000000, 0.0000455500000000 ] - [ -0.0018055300000000, -0.0007224700000000, 0.0024868400000000 ] - [ 0.0003927000000000, 0.0009496400000000, -0.0003846900000000 ] - [ 0.0050380600000000, 0.0019739100000000, -0.0000259300000000 ] - [ -0.0010798300000000, 0.0011290800000000, -0.0017461200000000 ] - [ -0.0000278200000000, -0.0012054300000000, 0.0007852500000000 ] - [ -0.0001419900000000, 0.0012363500000000, -0.0002613600000000 ] - [ 0.0036122100000000, -0.0270149900000000, -0.0130165100000000 ] - [ -0.0006530600000000, 0.0045506500000000, -0.0001150000000000 ] - [ -0.0015348100000000, 0.0002945200000000, 0.0025400200000000 ] - [ 0.0011375000000000, 0.0003551300000000, -0.0002344300000000 ] - [ 0.0014301800000000, -0.0011124400000000, 0.0006972800000000 ] - [ -0.0004334600000000, 0.0006377100000000, 0.0001575700000000 ] - [ -0.0002188900000000, 0.0001774300000000, -0.0001462000000000 ] - [ 0.0005837700000000, 0.0002543300000000, -0.0006449700000000 ] - [ -0.0009601700000000, -0.0008033900000000, 0.0002769200000000 ] - [ 0.0002881000000000, 0.0007035000000000, -0.0000370000000000 ] - [ -0.0185583700000000, -0.0770757600000000, -0.0480266600000000 ] - [ 0.0011519000000000, 0.0049341200000000, -0.0021297500000000 ] - [ 0.0003737600000000, 0.0026602100000000, 0.0063173000000000 ] - [ -0.0009894900000000, 0.0022276900000000, -0.0009851600000000 ] - [ 0.0000603200000000, -0.0013757900000000, -0.0017182200000000 ] - [ 0.0001168200000000, 0.0012009500000000, 0.0003376700000000 ] - [ -0.0011104100000000, -0.0030873300000000, 0.0026924100000000 ] - [ 0.0000512600000000, 0.0023330300000000, -0.0004808600000000 ] - [ 0.0059521900000000, 0.0016661200000000, -0.0108494000000000 ] - [ -0.0007969600000000, 0.0112583000000000, 0.0023836400000000 ] - [ -0.0010374200000000, -0.0002084700000000, -0.0000711200000000 ] - [ 0.0008962100000000, 0.0005871800000000, 0.0011812900000000 ] - [ 0.0003762500000000, -0.0006029000000000, 0.0000226100000000 ] - [ -0.0002686700000000, 0.0004591600000000, -0.0002035400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0026440300000000, 0.0017904300000000, -0.0083830200000000 ] - [ 0.0010409400000000, 0.0018205400000000, -0.0029072200000000 ] - [ -0.0002843000000000, 0.0000249600000000, 0.0004759700000000 ] - [ -0.0001364600000000, 0.0001138400000000, 0.0004048400000000 ] - [ 0.0002661700000000, -0.0006944800000000, -0.0011660200000000 ] - [ -0.0000775700000000, 0.0000688900000000, -0.0000929700000000 ] - [ 0.0018065700000000, -0.0029374700000000, 0.0102786200000000 ] - [ 0.0002611800000000, 0.0003075400000000, 0.0006447800000000 ] - [ -0.0005526900000000, -0.0002590600000000, -0.0004106300000000 ] - [ -0.0003098200000000, 0.0002651700000000, -0.0000438700000000 ] - [ -0.0093645200000000, -0.0006822600000000, 0.0291188500000000 ] - [ 0.0004288500000000, 0.0003854700000000, -0.0003439400000000 ] - [ -0.0000502000000000, 0.0031534900000000, 0.0004641700000000 ] - [ 0.0008297400000000, -0.0022235500000000, 0.0006779800000000 ] - [ -0.0001712600000000, 0.0004482000000000, 0.0004880100000000 ] - [ -0.0001014700000000, -0.0000432500000000, 0.0000266500000000 ] - [ 0.0682827600000000, -0.0957784700000000, -0.2611675600000000 ] - [ 0.0005627500000000, 0.0004942000000000, -0.0002016300000000 ] - [ -0.0003645800000000, -0.0003365300000000, 0.0010442800000000 ] - [ -0.0002789900000000, 0.0003948600000000, 0.0003230700000000 ] - [ -0.0000614200000000, 0.0002865100000000, -0.0000548100000000 ] - [ 0.0000862000000000, 0.0006990100000000, -0.0005891400000000 ] - [ 0.0003592200000000, 0.0005394000000000, 0.0023521500000000 ] - [ 0.0005958200000000, 0.0000544400000000, 0.0023454200000000 ] - [ -0.0007898100000000, -0.0000120800000000, -0.0002110300000000 ] - [ -0.0005086900000000, -0.0000190600000000, -0.0002778300000000 ] - [ 0.0007228400000000, 0.0043378700000000, 0.0030897900000000 ] - [ 0.0007026500000000, -0.0008313000000000, -0.0003521600000000 ] - [ 0.0037750300000000, 0.0118735600000000, 0.0300572000000000 ] - [ -0.0000275100000000, 0.0001686800000000, 0.0000560700000000 ] - [ 0.0024020100000000, 0.0004866600000000, 0.0022560600000000 ] - [ 0.0001213400000000, 0.0001241700000000, 0.0005433600000000 ] - [ -0.0001846200000000, -0.0005537500000000, 0.0006798400000000 ] - [ 0.0000855800000000, 0.0001057400000000, -0.0000569700000000 ] - [ 0.0002007800000000, -0.0001012900000000, 0.0006206500000000 ] - [ -0.0002677100000000, 0.0005768200000000, 0.0001187400000000 ] - [ -0.0000249600000000, -0.0003232400000000, -0.0004000200000000 ] - [ -0.0000230200000000, 0.0004343500000000, -0.0002270200000000 ] - [ -0.0011838400000000, 0.0015846100000000, 0.0023789900000000 ] - [ 0.0001043100000000, -0.0004654500000000, 0.0003043100000000 ] - [ 0.0001076400000000, -0.0001497700000000, -0.0006356600000000 ] - [ 0.0000562800000000, 0.0002265300000000, -0.0003195800000000 ] - [ -0.0005132700000000, -0.0029085500000000, 0.0015938900000000 ] - [ -0.0005141200000000, 0.0020134500000000, 0.0005633300000000 ] - [ -0.0095836000000000, -0.0119137100000000, 0.0065577300000000 ] - [ 0.0002700700000000, 0.0016900000000000, -0.0005957500000000 ] - [ -0.0002362800000000, -0.0009692800000000, 0.0002091000000000 ] - [ -0.0000066200000000, 0.0006627300000000, 0.0000907600000000 ] - [ 0.0006572700000000, -0.0004744600000000, 0.0001271600000000 ] - [ -0.0002160800000000, 0.0001934200000000, 0.0003386600000000 ] - [ -0.0031770200000000, -0.0006207100000000, 0.0005468200000000 ] - [ 0.0001083200000000, 0.0005785700000000, -0.0000247900000000 ] - [ -0.0013116600000000, -0.0027149400000000, 0.0017201200000000 ] - [ -0.0014025900000000, 0.0012920200000000, 0.0020396800000000 ] - [ 0.0002105600000000, -0.0003958000000000, -0.0001955000000000 ] - [ 0.0013733600000000, 0.0014393900000000, 0.0008045400000000 ] - [ -0.0007044100000000, -0.0002820100000000, -0.0035411000000000 ] - [ -0.0009827100000000, 0.0014335300000000, -0.0015887600000000 ] - [ -0.0005640700000000, 0.0004361600000000, 0.0017594600000000 ] - [ -0.0000307600000000, 0.0004107200000000, 0.0012524500000000 ] - [ -0.0000113000000000, -0.0008788000000000, -0.0029287000000000 ] - [ -0.0000742600000000, 0.0004035400000000, -0.0001713800000000 ] - [ -0.0002881200000000, -0.0010012200000000, 0.0020461000000000 ] - [ -0.0001578100000000, -0.0001029000000000, 0.0006490400000000 ] - [ -0.0001337000000000, -0.0000826900000000, 0.0003374900000000 ] - [ -0.0005319000000000, 0.0002594800000000, 0.0002118000000000 ] - [ -0.0072769200000000, 0.0062516300000000, 0.0008511600000000 ] - [ 0.0010010500000000, -0.0002214400000000, -0.0003626900000000 ] - [ -0.0027443800000000, 0.0007215900000000, 0.0031286400000000 ] - [ -0.0001480400000000, -0.0003305700000000, 0.0005551400000000 ] - [ 0.0028250600000000, 0.0005334800000000, -0.0002658400000000 ] - [ -0.0001048300000000, 0.0004105400000000, -0.0003025500000000 ] - [ 0.0120542600000000, 0.0075731800000000, -0.0005255600000000 ] - [ 0.0003958100000000, 0.0007118000000000, -0.0005360100000000 ] - [ -0.0019751500000000, -0.0002169800000000, 0.0006847600000000 ] - [ -0.0007205300000000, -0.0003525200000000, 0.0003291300000000 ] - [ -0.0025351800000000, -0.0001593400000000, -0.0002815100000000 ] - [ -0.0000560500000000, -0.0001944900000000, -0.0000539800000000 ] - [ -0.0089721200000000, 0.0124652700000000, 0.0032874600000000 ] - [ 0.0001461500000000, 0.0008374400000000, -0.0009620300000000 ] - [ 0.0003657600000000, -0.0000690300000000, -0.0004203100000000 ] - [ 0.0002967400000000, -0.0003553500000000, -0.0002774100000000 ] - [ -0.0021700500000000, 0.0016329100000000, -0.0013349300000000 ] - [ -0.0004625800000000, -0.0010859000000000, -0.0003341800000000 ] - [ 0.0003916500000000, 0.0008708400000000, -0.0004194200000000 ] - [ 0.0000800100000000, -0.0000147500000000, -0.0003192800000000 ] - [ 0.0015229200000000, 0.0009576800000000, -0.0000537100000000 ] - [ 0.0006085500000000, 0.0000159000000000, -0.0001917000000000 ] - [ -0.0000732800000000, 0.0002806200000000, 0.0002065200000000 ] - [ -0.0002562800000000, -0.0005460200000000, -0.0000660000000000 ] - [ -0.0000053900000000, 0.0010479300000000, -0.0028624900000000 ] - [ 0.0001139500000000, -0.0003091700000000, -0.0006933900000000 ] - [ -0.0018727600000000, -0.0009154300000000, 0.0043043000000000 ] - [ -0.0004929200000000, -0.0012415900000000, 0.0001923200000000 ] - [ -0.0016964900000000, 0.0014356000000000, -0.0006063900000000 ] - [ -0.0003447100000000, -0.0010459600000000, -0.0001275600000000 ] - [ 0.0085814500000000, 0.0021535400000000, 0.0041763400000000 ] - [ 0.0000740800000000, -0.0003911600000000, 0.0006294000000000 ] - [ 0.0022983500000000, -0.0004400500000000, -0.0030587100000000 ] - [ -0.0000148100000000, 0.0011158400000000, -0.0016320900000000 ] - [ -0.0050398900000000, -0.0053829100000000, 0.0049343600000000 ] - [ 0.0004143000000000, -0.0006357400000000, 0.0022673500000000 ] - [ 0.0000303700000000, 0.0009574000000000, -0.0013623600000000 ] - [ -0.0000013600000000, -0.0005979700000000, -0.0002505800000000 ] - [ -0.0669364300000000, 0.0191967800000000, 0.1313486300000000 ] - [ -0.0000699600000000, -0.0017437800000000, 0.0007280200000000 ] - [ -0.0001443300000000, -0.0034803700000000, -0.0040060700000000 ] - [ -0.0017772100000000, 0.0020353800000000, -0.0023664500000000 ] - [ -0.0020669000000000, 0.0016024700000000, -0.0022233400000000 ] - [ -0.0001435600000000, -0.0001018000000000, -0.0004879200000000 ] - [ 0.0006738500000000, 0.0000753700000000, 0.0003912800000000 ] - [ 0.0001251700000000, -0.0001005100000000, 0.0008661000000000 ] - [ 0.0014431800000000, 0.0002830500000000, -0.0005735900000000 ] - [ 0.0004716300000000, -0.0005404800000000, -0.0002250600000000 ] - [ 0.0110421000000000, 0.0492121600000000, 0.0632985000000000 ] - [ -0.0010920100000000, -0.0009717700000000, 0.0023418200000000 ] - [ -0.0006745900000000, -0.0077559700000000, -0.0144105400000000 ] - [ -0.0009061100000000, 0.0001409300000000, -0.0024594400000000 ] - [ 0.0000762800000000, 0.0010154900000000, 0.0021466200000000 ] - [ 0.0001697000000000, -0.0005700600000000, 0.0001356100000000 ] - [ 0.0112935800000000, 0.0037970000000000, -0.0121110900000000 ] - [ -0.0000355500000000, -0.0016337000000000, -0.0007052700000000 ] - [ -0.0008011400000000, 0.0117993700000000, 0.0085181900000000 ] - [ -0.0003028200000000, -0.0111946500000000, 0.0014176700000000 ] - [ 0.0008033800000000, 0.0005020600000000, -0.0010437600000000 ] - [ -0.0000801600000000, -0.0006825000000000, -0.0021031100000000 ] - [ 0.0008744100000000, 0.0000085200000000, 0.0003281600000000 ] - [ 0.0009621700000000, -0.0001826400000000, 0.0002379800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0025503200000000, -0.0016528400000000, 0.0082841300000000 ] - [ -0.0009216600000000, -0.0016014400000000, 0.0028228100000000 ] - [ 0.0001556900000000, -0.0002272900000000, -0.0005735200000000 ] - [ 0.0000092200000000, -0.0003181400000000, -0.0004998400000000 ] - [ -0.0001358700000000, 0.0004928500000000, 0.0010709000000000 ] - [ 0.0002032900000000, -0.0002738500000000, -0.0000011000000000 ] - [ -0.0019380200000000, 0.0031491600000000, -0.0103891500000000 ] - [ -0.0003883700000000, -0.0001067300000000, -0.0007386500000000 ] - [ 0.0003138600000000, 0.0004434600000000, 0.0004035900000000 ] - [ 0.0000696100000000, -0.0000834600000000, 0.0000333800000000 ] - [ 0.0095323400000000, 0.0004480400000000, -0.0285683600000000 ] - [ -0.0001880300000000, -0.0005674600000000, 0.0003298600000000 ] - [ -0.0001730700000000, -0.0033636600000000, -0.0004564000000000 ] - [ -0.0010668800000000, 0.0020458800000000, -0.0006791600000000 ] - [ 0.0004084400000000, -0.0002659700000000, -0.0004998200000000 ] - [ 0.0003413000000000, 0.0002263100000000, -0.0000382700000000 ] - [ -0.0735956800000000, 0.0938651200000000, 0.2667318400000000 ] - [ -0.0001790400000000, -0.0009469300000000, 0.0006106900000000 ] - [ -0.0000189900000000, 0.0007841000000000, -0.0006313100000000 ] - [ -0.0001021500000000, 0.0000518000000000, 0.0000925900000000 ] - [ 0.0004481200000000, 0.0001624700000000, 0.0004611300000000 ] - [ 0.0003034900000000, -0.0002506300000000, 0.0009887400000000 ] - [ -0.0007423200000000, -0.0009797900000000, -0.0019398700000000 ] - [ -0.0009827900000000, -0.0005085600000000, -0.0019446300000000 ] - [ 0.0002660800000000, -0.0001931200000000, 0.0002095800000000 ] - [ -0.0000114100000000, -0.0001862900000000, 0.0002791500000000 ] - [ -0.0001864900000000, -0.0041552100000000, -0.0031337700000000 ] - [ -0.0001746200000000, 0.0010331200000000, 0.0003380000000000 ] - [ -0.0044857900000000, -0.0118239000000000, -0.0306840300000000 ] - [ -0.0004963800000000, 0.0000329700000000, -0.0000590300000000 ] - [ -0.0028036100000000, -0.0001525400000000, -0.0020878800000000 ] - [ -0.0005020700000000, 0.0002385400000000, -0.0003673500000000 ] - [ 0.0007211000000000, 0.0003526500000000, -0.0006979800000000 ] - [ 0.0004524300000000, -0.0003114700000000, 0.0000439300000000 ] - [ -0.0002414100000000, 0.0003264000000000, -0.0006238300000000 ] - [ 0.0002317200000000, -0.0003596600000000, -0.0001204600000000 ] - [ 0.0000537300000000, 0.0005369500000000, 0.0004012600000000 ] - [ 0.0000446100000000, -0.0002305100000000, 0.0002238300000000 ] - [ 0.0011400800000000, -0.0017709100000000, -0.0023810600000000 ] - [ -0.0001325500000000, 0.0002459000000000, -0.0003093500000000 ] - [ 0.0001769300000000, 0.0000922500000000, 0.0001956200000000 ] - [ 0.0002319700000000, -0.0002890300000000, -0.0001287800000000 ] - [ 0.0002187400000000, 0.0029490200000000, -0.0020575100000000 ] - [ 0.0002250000000000, -0.0019415800000000, -0.0010176500000000 ] - [ 0.0100522500000000, 0.0121323700000000, -0.0071090700000000 ] - [ 0.0000221400000000, -0.0016347100000000, 0.0001495600000000 ] - [ -0.0000573700000000, 0.0008974400000000, -0.0006648900000000 ] - [ -0.0002904400000000, -0.0007374800000000, -0.0005474300000000 ] - [ -0.0011612800000000, 0.0004555100000000, 0.0003390900000000 ] - [ -0.0002761500000000, -0.0002333000000000, 0.0001059400000000 ] - [ 0.0036563300000000, 0.0006600600000000, -0.0001156200000000 ] - [ 0.0003872300000000, -0.0005582900000000, 0.0004822400000000 ] - [ 0.0008219700000000, 0.0027590200000000, -0.0012756100000000 ] - [ 0.0009147500000000, -0.0012651800000000, -0.0015876900000000 ] - [ 0.0002793700000000, 0.0003623600000000, 0.0006395700000000 ] - [ -0.0008861900000000, -0.0014696700000000, -0.0003564700000000 ] - [ 0.0005591600000000, -0.0001657400000000, 0.0037867900000000 ] - [ 0.0008471500000000, -0.0018954600000000, 0.0018364600000000 ] - [ 0.0007119000000000, 0.0000148200000000, -0.0015257700000000 ] - [ 0.0001695300000000, 0.0000459800000000, -0.0010100300000000 ] - [ -0.0000960800000000, 0.0013347300000000, 0.0031904200000000 ] - [ -0.0000636700000000, 0.0000457200000000, 0.0003952800000000 ] - [ 0.0004217400000000, 0.0005510100000000, -0.0018216400000000 ] - [ 0.0002957600000000, -0.0003556100000000, -0.0004010800000000 ] - [ -0.0008081300000000, 0.0004015200000000, -0.0001389300000000 ] - [ -0.0003826100000000, 0.0000660600000000, -0.0000163900000000 ] - [ 0.0081294600000000, -0.0065165800000000, -0.0007008200000000 ] - [ -0.0000610000000000, -0.0000916300000000, 0.0005567800000000 ] - [ 0.0018587500000000, -0.0010532500000000, -0.0029439300000000 ] - [ -0.0007673700000000, 0.0000028200000000, -0.0003582300000000 ] - [ -0.0019007200000000, -0.0002121900000000, 0.0004600000000000 ] - [ 0.0010219600000000, -0.0000867800000000, 0.0004969800000000 ] - [ -0.0116207900000000, -0.0072243300000000, 0.0006672200000000 ] - [ -0.0000198300000000, -0.0003573500000000, 0.0007114400000000 ] - [ 0.0016109700000000, -0.0001380400000000, -0.0005063700000000 ] - [ 0.0003408200000000, -0.0000090200000000, -0.0001528900000000 ] - [ 0.0029134900000000, -0.0001983000000000, 0.0004561000000000 ] - [ 0.0004196900000000, -0.0001493300000000, 0.0002348000000000 ] - [ 0.0091433100000000, -0.0127680800000000, -0.0032646700000000 ] - [ -0.0001153400000000, -0.0010642800000000, 0.0009739300000000 ] - [ 0.0001693700000000, -0.0003241400000000, 0.0000217100000000 ] - [ 0.0002371800000000, -0.0000340400000000, -0.0001204100000000 ] - [ 0.0018200900000000, -0.0024375900000000, 0.0009897600000000 ] - [ 0.0001156600000000, 0.0002836600000000, -0.0000185700000000 ] - [ -0.0007372700000000, -0.0000653900000000, 0.0000655100000000 ] - [ -0.0004263800000000, 0.0008210300000000, -0.0000367700000000 ] - [ -0.0011789300000000, -0.0001548100000000, -0.0003034100000000 ] - [ -0.0002617400000000, 0.0007911900000000, -0.0001641300000000 ] - [ -0.0004559300000000, -0.0006741800000000, -0.0006024000000000 ] - [ -0.0002744900000000, 0.0001558700000000, -0.0003320100000000 ] - [ 0.0005323800000000, -0.0006659400000000, 0.0024672800000000 ] - [ 0.0004180000000000, 0.0007027700000000, 0.0002954000000000 ] - [ 0.0012949700000000, 0.0012444600000000, -0.0047054100000000 ] - [ -0.0000452700000000, 0.0016372500000000, -0.0005852200000000 ] - [ 0.0020519600000000, -0.0022508700000000, 0.0002420400000000 ] - [ 0.0006931000000000, 0.0002465100000000, -0.0002311700000000 ] - [ -0.0084206600000000, -0.0020842000000000, -0.0039580700000000 ] - [ 0.0001012900000000, 0.0004583700000000, -0.0004300800000000 ] - [ -0.0024970600000000, 0.0005250500000000, 0.0032452400000000 ] - [ -0.0001665100000000, -0.0010420100000000, 0.0018218300000000 ] - [ 0.0052593500000000, 0.0053215400000000, -0.0047556200000000 ] - [ -0.0002292400000000, 0.0005587400000000, -0.0020779400000000 ] - [ -0.0002881000000000, -0.0007939900000000, 0.0012504400000000 ] - [ -0.0002631000000000, 0.0007703600000000, 0.0001253100000000 ] - [ 0.0721304700000000, -0.0208793400000000, -0.1385448800000000 ] - [ 0.0003282700000000, 0.0015924600000000, -0.0008680800000000 ] - [ -0.0001334600000000, 0.0032925900000000, 0.0038865800000000 ] - [ 0.0015089300000000, -0.0021906200000000, 0.0022555100000000 ] - [ 0.0019124100000000, -0.0016944800000000, 0.0024193700000000 ] - [ -0.0000348200000000, 0.0000314200000000, 0.0006820400000000 ] - [ -0.0004140000000000, 0.0000926900000000, -0.0005176200000000 ] - [ 0.0001321100000000, 0.0002709100000000, -0.0009829800000000 ] - [ -0.0017237200000000, -0.0004105000000000, 0.0005150600000000 ] - [ -0.0007520800000000, 0.0004173900000000, 0.0001667600000000 ] - [ -0.0100380200000000, -0.0458575900000000, -0.0611304700000000 ] - [ 0.0013726100000000, 0.0010981600000000, -0.0023871900000000 ] - [ 0.0003658300000000, 0.0079366300000000, 0.0143932900000000 ] - [ 0.0006215900000000, -0.0000153100000000, 0.0023938300000000 ] - [ -0.0001397800000000, -0.0008688200000000, -0.0023379900000000 ] - [ -0.0002242200000000, 0.0007295500000000, -0.0003033700000000 ] - [ -0.0111953800000000, -0.0039511300000000, 0.0119682900000000 ] - [ 0.0000892200000000, 0.0014822300000000, 0.0005433700000000 ] - [ 0.0007838000000000, -0.0119917600000000, -0.0087778000000000 ] - [ 0.0002396500000000, 0.0110471800000000, -0.0016107400000000 ] - [ -0.0007514800000000, -0.0003453400000000, 0.0008873300000000 ] - [ 0.0001387100000000, 0.0008394100000000, 0.0019474800000000 ] - [ -0.0005875400000000, -0.0001355800000000, -0.0003823300000000 ] - [ -0.0006787500000000, 0.0000593300000000, -0.0002961400000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003846400000000, 0.0000894100000000, -0.0003417600000000 ] - [ 0.0010835600000000, 0.0003921800000000, -0.0007730700000000 ] - [ -0.0013499800000000, 0.0011353600000000, 0.0096119400000000 ] - [ -0.0004262300000000, -0.0001988800000000, -0.0002890400000000 ] - [ -0.0011658600000000, 0.0011402000000000, 0.0012212300000000 ] - [ -0.0010692100000000, -0.0006544300000000, 0.0014676100000000 ] - [ 0.0011252400000000, -0.0000402100000000, 0.0004790400000000 ] - [ 0.0003129300000000, 0.0001223700000000, 0.0000522100000000 ] - [ -0.0060829600000000, 0.0012053700000000, -0.0028678700000000 ] - [ -0.0020289600000000, -0.0006955100000000, -0.0011218700000000 ] - [ 0.0006338100000000, -0.0001224800000000, -0.0001382400000000 ] - [ 0.0006446600000000, 0.0000278000000000, -0.0002011100000000 ] - [ 0.0018597500000000, -0.0001546400000000, 0.0002478500000000 ] - [ 0.0003510100000000, -0.0002101700000000, 0.0001989300000000 ] - [ -0.0003415600000000, 0.0000875200000000, 0.0003218200000000 ] - [ -0.0015011300000000, 0.0009162600000000, 0.0025413600000000 ] - [ 0.0008269000000000, -0.0005717300000000, -0.0003293700000000 ] - [ 0.0008040500000000, -0.0000374600000000, -0.0000521900000000 ] - [ -0.0019083400000000, -0.0000587200000000, -0.0002415800000000 ] - [ -0.0007761700000000, 0.0006335900000000, -0.0002449800000000 ] - [ -0.0033647100000000, -0.0014368600000000, 0.0043777300000000 ] - [ -0.0002035600000000, 0.0003250700000000, 0.0004306100000000 ] - [ 0.0001406600000000, -0.0002130900000000, 0.0003841300000000 ] - [ 0.0008339800000000, -0.0001737500000000, 0.0006536000000000 ] - [ -0.1702451200000000, 0.0014495600000000, -0.0847145800000000 ] - [ -0.0007228300000000, -0.0001751000000000, -0.0002555000000000 ] - [ 0.0006008800000000, 0.0000922000000000, -0.0000877700000000 ] - [ 0.0008777900000000, 0.0001577200000000, -0.0000904800000000 ] - [ 0.0009205600000000, -0.0001553600000000, 0.0000625300000000 ] - [ 0.0003558100000000, 0.0002732200000000, 0.0002205800000000 ] - [ 0.0024674300000000, 0.0001437200000000, 0.0000131800000000 ] - [ 0.0004634200000000, -0.0001025900000000, 0.0000493800000000 ] - [ -0.0004326500000000, -0.0003940500000000, 0.0006808100000000 ] - [ -0.0004340500000000, 0.0000734800000000, 0.0005453800000000 ] - [ -0.0003104400000000, -0.0005152100000000, 0.0002628400000000 ] - [ -0.0004618900000000, 0.0015969400000000, 0.0006143100000000 ] - [ 0.0064589900000000, 0.0081831600000000, 0.0042750000000000 ] - [ -0.0003016400000000, -0.0003613300000000, -0.0000454700000000 ] - [ 0.0004467500000000, 0.0002661600000000, 0.0000066100000000 ] - [ 0.0004157500000000, 0.0000125200000000, 0.0000159900000000 ] - [ -0.0002901700000000, 0.0002145500000000, -0.0002467800000000 ] - [ 0.0089324400000000, -0.0156252900000000, 0.0043123100000000 ] - [ 0.0004846500000000, -0.0003799100000000, -0.0001535000000000 ] - [ 0.0001227900000000, -0.0000000200000000, -0.0001624700000000 ] - [ 0.0005482600000000, -0.0006453000000000, -0.0004647700000000 ] - [ 0.0011831400000000, 0.0013445400000000, -0.0006043800000000 ] - [ -0.0006334400000000, -0.0013576900000000, 0.0006545600000000 ] - [ -0.0003322100000000, 0.0003336500000000, -0.0001564000000000 ] - [ 0.0002849600000000, 0.0013996700000000, -0.0001548100000000 ] - [ 0.0003137000000000, -0.0019990900000000, -0.0012238900000000 ] - [ 0.0006180500000000, 0.0002075300000000, 0.0004372800000000 ] - [ 0.0006217200000000, -0.0001216200000000, 0.0008656300000000 ] - [ -0.0001771600000000, -0.0002414100000000, 0.0002004200000000 ] - [ 0.0051950500000000, 0.0009921300000000, 0.0000926900000000 ] - [ -0.0000754100000000, 0.0002267900000000, 0.0002160900000000 ] - [ 0.0002032200000000, -0.0000422600000000, 0.0002907200000000 ] - [ -0.0001736500000000, -0.0003198400000000, -0.0000825700000000 ] - [ 0.0011734000000000, 0.0009020700000000, -0.0023260900000000 ] - [ 0.0005558500000000, 0.0008259100000000, 0.0018582200000000 ] - [ 0.0000753100000000, 0.0001592500000000, 0.0001600700000000 ] - [ 0.0006653100000000, 0.0019360200000000, 0.0012088400000000 ] - [ 0.0014698000000000, -0.0007378000000000, 0.0023504000000000 ] - [ 0.0019244300000000, 0.0009157300000000, -0.0017210900000000 ] - [ 0.0002519700000000, -0.0003409800000000, -0.0002568800000000 ] - [ 0.0087265100000000, 0.0077176400000000, -0.0102770700000000 ] - [ -0.0009556000000000, -0.0000917300000000, -0.0001317200000000 ] - [ 0.0012972200000000, -0.0000018400000000, 0.0003205500000000 ] - [ 0.0016304300000000, -0.0000481100000000, 0.0004024900000000 ] - [ 0.0029035900000000, -0.0004214800000000, 0.0000874200000000 ] - [ -0.0001278700000000, -0.0000369700000000, 0.0001558000000000 ] - [ -0.0002913100000000, -0.0000209400000000, 0.0001984500000000 ] - [ -0.0009255800000000, 0.0004169700000000, 0.0001416300000000 ] - [ 0.0003616500000000, 0.0000233300000000, 0.0000201600000000 ] - [ 0.0007774700000000, 0.0007401700000000, -0.0003789400000000 ] - [ 0.0071731200000000, -0.0073415900000000, 0.0078798700000000 ] - [ -0.0007095700000000, 0.0001228600000000, 0.0000342400000000 ] - [ -0.0000924900000000, 0.0000925800000000, 0.0004680600000000 ] - [ -0.0001869200000000, -0.0002686400000000, 0.0009376400000000 ] - [ 0.0014906300000000, -0.0010366600000000, -0.0005271600000000 ] - [ 0.0001662700000000, 0.0002185000000000, -0.0000333900000000 ] - [ 0.0006396100000000, -0.0002996400000000, 0.0000665900000000 ] - [ 0.0014715000000000, 0.0008826100000000, 0.0016022300000000 ] - [ -0.0006144600000000, -0.0002254800000000, -0.0004509400000000 ] - [ -0.0003127200000000, -0.0005173800000000, -0.0001640400000000 ] - [ 0.0002243300000000, 0.0004245900000000, -0.0003087400000000 ] - [ -0.0000198200000000, 0.0004178400000000, -0.0002732800000000 ] - [ 0.0008186200000000, 0.0015195700000000, 0.0002598600000000 ] - [ 0.0010098700000000, -0.0017993100000000, 0.0004532100000000 ] - [ 0.0006016500000000, -0.0000235900000000, 0.0004917400000000 ] - [ 0.0000703600000000, -0.0002116000000000, -0.0003238500000000 ] - [ -0.0002947300000000, 0.0006281000000000, -0.0003006200000000 ] - [ -0.0003849000000000, -0.0002893800000000, -0.0004508300000000 ] - [ -0.0009686800000000, 0.0002389100000000, -0.0003432900000000 ] - [ -0.0005403400000000, 0.0002149300000000, -0.0002058000000000 ] - [ -0.0003245000000000, -0.0005702300000000, -0.0001261000000000 ] - [ -0.0012187000000000, -0.0002110300000000, 0.0000619000000000 ] - [ -0.0003286900000000, -0.0009032400000000, -0.0013632300000000 ] - [ -0.0008340100000000, -0.0002772600000000, -0.0020112700000000 ] - [ -0.0078953600000000, -0.0018856800000000, -0.0039108300000000 ] - [ -0.0001535600000000, 0.0001734700000000, -0.0000254700000000 ] - [ 0.0003128000000000, 0.0000173400000000, 0.0002613500000000 ] - [ 0.0009251400000000, -0.0015056100000000, 0.0019579700000000 ] - [ 0.0014777000000000, 0.0016426000000000, -0.0009642600000000 ] - [ 0.0012798200000000, -0.0011414800000000, -0.0003775700000000 ] - [ -0.0017090400000000, 0.0011227400000000, 0.0003863900000000 ] - [ -0.0010089200000000, -0.0011040600000000, 0.0001858600000000 ] - [ -0.0007393500000000, -0.0002074800000000, -0.0001650300000000 ] - [ -0.0013871900000000, 0.0000328200000000, -0.0004079700000000 ] - [ -0.0053721100000000, -0.0028924000000000, 0.0005769700000000 ] - [ -0.0001882000000000, 0.0013137700000000, 0.0010091500000000 ] - [ 0.1220322000000000, -0.0099830600000000, 0.0832801200000000 ] - [ 0.0008426800000000, 0.0000603000000000, -0.0000172800000000 ] - [ 0.0263682000000000, 0.0163166600000000, -0.0131686000000000 ] - [ 0.0012219300000000, -0.0000310500000000, 0.0011891600000000 ] - [ -0.0009398100000000, 0.0003833700000000, 0.0004770100000000 ] - [ -0.0017890600000000, -0.0003008500000000, 0.0006059000000000 ] - [ -0.0049894000000000, -0.0000737400000000, -0.0006860500000000 ] - [ -0.0012640800000000, -0.0000539000000000, -0.0004111000000000 ] - [ 0.0033477400000000, -0.0092617600000000, 0.0010887000000000 ] - [ 0.0020668500000000, 0.0096051700000000, -0.0012563500000000 ] - [ -0.0021571100000000, -0.0001881800000000, 0.0000985500000000 ] - [ -0.0009813700000000, -0.0001760400000000, -0.0002217900000000 ] - [ -0.0004897800000000, 0.0003995800000000, 0.0001967900000000 ] - [ -0.0049216600000000, -0.0009926800000000, 0.0027399000000000 ] - [ -0.0000814500000000, -0.0008959900000000, -0.0048572100000000 ] - [ 0.0005401800000000, 0.0003884600000000, -0.0002434000000000 ] - [ 0.0014251700000000, -0.0003644100000000, -0.0014168400000000 ] - [ 0.0021718400000000, 0.0008407600000000, -0.0038690200000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002526300000000, 0.0001148300000000, 0.0002424200000000 ] - [ -0.0009522900000000, -0.0001862900000000, 0.0006745200000000 ] - [ 0.0012857400000000, -0.0013467700000000, -0.0096238000000000 ] - [ 0.0002959500000000, -0.0000058600000000, 0.0001895900000000 ] - [ 0.0012857100000000, -0.0013376600000000, -0.0013230400000000 ] - [ 0.0011910000000000, 0.0004412900000000, -0.0015546300000000 ] - [ -0.0012543800000000, 0.0002406400000000, -0.0005743700000000 ] - [ -0.0004410800000000, 0.0000804000000000, -0.0001499200000000 ] - [ 0.0057715000000000, -0.0011202000000000, 0.0028209900000000 ] - [ 0.0017902000000000, 0.0008533800000000, 0.0010959500000000 ] - [ -0.0004047700000000, -0.0000426100000000, 0.0001238600000000 ] - [ -0.0004171600000000, -0.0001928400000000, 0.0001871000000000 ] - [ -0.0020868300000000, -0.0000073800000000, -0.0002649400000000 ] - [ -0.0005755300000000, 0.0000465800000000, -0.0002134000000000 ] - [ 0.0005666300000000, 0.0000763500000000, -0.0003351900000000 ] - [ 0.0017198400000000, -0.0007416300000000, -0.0025336900000000 ] - [ -0.0004629700000000, 0.0001161600000000, 0.0007479100000000 ] - [ -0.0004349600000000, -0.0004202600000000, 0.0004620400000000 ] - [ 0.0015359100000000, 0.0004916800000000, 0.0006799200000000 ] - [ 0.0004051800000000, -0.0001742300000000, 0.0006563000000000 ] - [ 0.0036865900000000, 0.0018959200000000, -0.0038648300000000 ] - [ 0.0005702800000000, 0.0001298800000000, -0.0000202100000000 ] - [ -0.0005090900000000, -0.0002429600000000, 0.0000275300000000 ] - [ -0.0011954500000000, -0.0002800000000000, -0.0002321000000000 ] - [ 0.1655244400000000, -0.0003203600000000, 0.0796030100000000 ] - [ 0.0002129900000000, -0.0000227600000000, 0.0002476000000000 ] - [ -0.0000893200000000, 0.0001008800000000, 0.0000796400000000 ] - [ -0.0003553000000000, 0.0000375400000000, 0.0000764100000000 ] - [ -0.0014308500000000, 0.0003447400000000, -0.0000790400000000 ] - [ -0.0008607600000000, -0.0000829500000000, -0.0002287900000000 ] - [ -0.0028364300000000, 0.0002164500000000, 0.0001609500000000 ] - [ -0.0008266800000000, 0.0004501400000000, 0.0001282200000000 ] - [ 0.0009403400000000, 0.0001992500000000, -0.0006864000000000 ] - [ 0.0009480300000000, -0.0002678400000000, -0.0005497600000000 ] - [ 0.0002775700000000, 0.0007305300000000, -0.0002710800000000 ] - [ 0.0004280700000000, -0.0013650900000000, -0.0006170100000000 ] - [ -0.0062589500000000, -0.0077944100000000, -0.0041837500000000 ] - [ 0.0003288300000000, 0.0005717500000000, 0.0000347600000000 ] - [ -0.0004802800000000, -0.0004827600000000, -0.0000147300000000 ] - [ -0.0004567300000000, -0.0002360700000000, -0.0000218000000000 ] - [ 0.0005461200000000, -0.0002989400000000, -0.0001811800000000 ] - [ -0.0084438000000000, 0.0152617700000000, -0.0046697100000000 ] - [ -0.0007527700000000, 0.0004556500000000, -0.0002675300000000 ] - [ -0.0003819800000000, 0.0000671100000000, -0.0002523700000000 ] - [ -0.0002767600000000, 0.0007212200000000, 0.0000404500000000 ] - [ -0.0009134100000000, -0.0012762200000000, 0.0001814400000000 ] - [ 0.0003692500000000, 0.0012816700000000, -0.0010654700000000 ] - [ 0.0000660000000000, -0.0004022000000000, -0.0002618900000000 ] - [ -0.0008033700000000, -0.0014621900000000, 0.0006037600000000 ] - [ -0.0008163700000000, 0.0019145200000000, 0.0016616500000000 ] - [ -0.0001106800000000, -0.0001293200000000, 0.0000116100000000 ] - [ -0.0001107300000000, 0.0001871500000000, -0.0004046000000000 ] - [ -0.0003323900000000, 0.0003010000000000, 0.0002590200000000 ] - [ -0.0057400700000000, -0.0009267200000000, 0.0003454100000000 ] - [ 0.0005840100000000, -0.0002997200000000, 0.0002384500000000 ] - [ 0.0003055100000000, -0.0000339800000000, 0.0001600200000000 ] - [ 0.0000162000000000, -0.0001397100000000, 0.0003349200000000 ] - [ -0.0013329300000000, -0.0013624100000000, 0.0025815000000000 ] - [ -0.0003859000000000, -0.0003705800000000, -0.0016113800000000 ] - [ 0.0000870400000000, 0.0002929200000000, 0.0000771300000000 ] - [ -0.0008135300000000, -0.0014640000000000, -0.0009515800000000 ] - [ -0.0016104400000000, 0.0011854400000000, -0.0020950000000000 ] - [ -0.0017598300000000, -0.0013683300000000, 0.0019648900000000 ] - [ -0.0000962600000000, -0.0001150100000000, 0.0004988700000000 ] - [ -0.0095559800000000, -0.0073243900000000, 0.0102770900000000 ] - [ 0.0000172900000000, 0.0004115500000000, 0.0003299400000000 ] - [ -0.0003689800000000, -0.0003233900000000, -0.0001214600000000 ] - [ -0.0006849900000000, -0.0002688600000000, -0.0002016400000000 ] - [ -0.0038304800000000, 0.0000996200000000, 0.0001089700000000 ] - [ -0.0008150800000000, -0.0002800500000000, 0.0000440100000000 ] - [ 0.0012193100000000, 0.0003475100000000, 0.0000000400000000 ] - [ 0.0018485900000000, -0.0000965200000000, 0.0000596700000000 ] - [ 0.0000101600000000, 0.0003369200000000, 0.0001552700000000 ] - [ -0.0004072700000000, -0.0003837100000000, 0.0005561700000000 ] - [ -0.0075981300000000, 0.0070966600000000, -0.0077619000000000 ] - [ 0.0003509800000000, -0.0004723300000000, 0.0001435900000000 ] - [ 0.0004615800000000, -0.0004531200000000, -0.0002916200000000 ] - [ 0.0005495600000000, -0.0000822400000000, -0.0007532100000000 ] - [ -0.0014550400000000, 0.0008115400000000, 0.0005176300000000 ] - [ -0.0001414600000000, -0.0004379700000000, 0.0000224800000000 ] - [ -0.0001115100000000, -0.0000929500000000, -0.0004666600000000 ] - [ -0.0009288300000000, -0.0012902200000000, -0.0019928900000000 ] - [ 0.0002587700000000, -0.0005815100000000, 0.0000850800000000 ] - [ -0.0000408900000000, -0.0002903300000000, -0.0002000300000000 ] - [ -0.0005750900000000, 0.0003835800000000, -0.0000587800000000 ] - [ -0.0003325100000000, 0.0003929300000000, -0.0000923500000000 ] - [ -0.0004736500000000, -0.0007034000000000, -0.0006238200000000 ] - [ -0.0006911000000000, 0.0025275200000000, -0.0008163400000000 ] - [ -0.0011248200000000, -0.0003754700000000, -0.0008872900000000 ] - [ -0.0005929600000000, -0.0001845800000000, -0.0000733800000000 ] - [ 0.0008168600000000, -0.0002309000000000, -0.0000939200000000 ] - [ 0.0009074600000000, 0.0006849000000000, 0.0000555900000000 ] - [ 0.0004428300000000, 0.0001567600000000, -0.0000535200000000 ] - [ 0.0000161400000000, 0.0001818600000000, -0.0001903800000000 ] - [ 0.0006782600000000, -0.0002385500000000, -0.0002373900000000 ] - [ 0.0015644000000000, -0.0005975800000000, -0.0004235600000000 ] - [ 0.0005086500000000, 0.0009608500000000, 0.0015438200000000 ] - [ 0.0010025000000000, 0.0003337400000000, 0.0021869400000000 ] - [ 0.0077048800000000, 0.0019311900000000, 0.0041073300000000 ] - [ -0.0000240800000000, -0.0001130300000000, 0.0002163600000000 ] - [ -0.0001379000000000, -0.0000753900000000, -0.0000747200000000 ] - [ -0.0007426900000000, 0.0014364100000000, -0.0017736000000000 ] - [ -0.0017465300000000, -0.0014570900000000, 0.0008153700000000 ] - [ -0.0015386200000000, 0.0013055100000000, 0.0002313000000000 ] - [ 0.0019762200000000, -0.0012988200000000, -0.0005294600000000 ] - [ 0.0012721500000000, 0.0009294300000000, -0.0003230900000000 ] - [ 0.0004711400000000, 0.0000354600000000, 0.0000212800000000 ] - [ 0.0011115300000000, -0.0002094200000000, 0.0002572000000000 ] - [ 0.0052018800000000, 0.0028381100000000, -0.0004009500000000 ] - [ 0.0000111100000000, -0.0013687100000000, -0.0008161700000000 ] - [ -0.1176251000000000, 0.0093211500000000, -0.0787133300000000 ] - [ -0.0005765700000000, 0.0001308600000000, -0.0001189700000000 ] - [ -0.0269347000000000, -0.0167507000000000, 0.0134282400000000 ] - [ -0.0015031700000000, -0.0000897500000000, -0.0012398800000000 ] - [ 0.0012186200000000, -0.0002553200000000, -0.0005331900000000 ] - [ 0.0020669500000000, 0.0004287200000000, -0.0006630200000000 ] - [ 0.0046978500000000, 0.0002000700000000, 0.0006308700000000 ] - [ 0.0009757600000000, 0.0001837200000000, 0.0003535200000000 ] - [ -0.0033085600000000, 0.0093415900000000, -0.0011868700000000 ] - [ -0.0021065200000000, -0.0093853500000000, 0.0010858900000000 ] - [ 0.0022065900000000, 0.0000310600000000, -0.0002682900000000 ] - [ 0.0010306200000000, 0.0000180800000000, 0.0000548600000000 ] - [ 0.0004333500000000, -0.0005558500000000, -0.0003615300000000 ] - [ 0.0048654800000000, 0.0008368500000000, -0.0029029300000000 ] - [ 0.0001057400000000, 0.0010461600000000, 0.0046371300000000 ] - [ -0.0004890600000000, -0.0002264500000000, 0.0000776000000000 ] - [ -0.0011377600000000, 0.0002407100000000, 0.0013588900000000 ] - [ -0.0018784600000000, -0.0009736200000000, 0.0037893300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000557300000000, 0.0004130500000000, -0.0001605600000000 ] - [ 0.0004010000000000, -0.0002816500000000, 0.0000808900000000 ] - [ -0.0003697500000000, -0.0040964600000000, 0.0003842400000000 ] - [ 0.0000255200000000, 0.0009124000000000, 0.0002776000000000 ] - [ 0.0001466300000000, 0.0008662600000000, 0.0024896700000000 ] - [ 0.0001608200000000, 0.0011395000000000, -0.0015161100000000 ] - [ 0.0000110300000000, 0.0001271500000000, -0.0003712500000000 ] - [ -0.0002363100000000, 0.0002057100000000, -0.0000070800000000 ] - [ 0.0093208400000000, 0.0176537200000000, 0.0007814300000000 ] - [ -0.0003942700000000, 0.0044936600000000, 0.0011861400000000 ] - [ 0.0002086200000000, -0.0000736900000000, -0.0000675400000000 ] - [ 0.0000691000000000, 0.0000186300000000, -0.0002039200000000 ] - [ 0.0002840200000000, -0.0008204600000000, 0.0005344600000000 ] - [ -0.0002479800000000, 0.0003842200000000, -0.0001939700000000 ] - [ -0.0000224400000000, 0.0007526600000000, 0.0002611500000000 ] - [ 0.0011015000000000, -0.0008079700000000, -0.0026303500000000 ] - [ 0.0003132300000000, -0.0002698100000000, 0.0002956600000000 ] - [ -0.0000054400000000, -0.0000456100000000, 0.0002858200000000 ] - [ -0.0001103600000000, 0.0024321000000000, -0.0040410700000000 ] - [ 0.0001923400000000, 0.0009201600000000, 0.0011303400000000 ] - [ -0.0017856300000000, -0.0003442300000000, -0.0116704500000000 ] - [ 0.0000107000000000, 0.0014419200000000, 0.0001297800000000 ] - [ -0.0002382800000000, 0.0001963000000000, 0.0004063800000000 ] - [ -0.0001671800000000, -0.0008623000000000, -0.0002489100000000 ] - [ 0.0007046800000000, -0.1137498300000000, 0.0925778000000000 ] - [ -0.0003245700000000, 0.0023109200000000, -0.0006839500000000 ] - [ 0.0002463000000000, 0.0004168900000000, 0.0001656200000000 ] - [ 0.0003174700000000, -0.0003391900000000, -0.0004974200000000 ] - [ -0.0000116100000000, 0.0000353900000000, 0.0002993500000000 ] - [ -0.0004302400000000, 0.0004045600000000, 0.0001305900000000 ] - [ 0.0014487600000000, -0.0005909800000000, 0.0002962200000000 ] - [ -0.0007263400000000, 0.0009514600000000, 0.0001028900000000 ] - [ 0.0000853700000000, 0.0001188800000000, -0.0002825900000000 ] - [ 0.0005486800000000, 0.0001226600000000, -0.0005362100000000 ] - [ -0.0004132600000000, 0.0010598600000000, -0.0003667800000000 ] - [ 0.0003641800000000, -0.0005334000000000, -0.0003130600000000 ] - [ 0.0032018300000000, -0.0041479400000000, 0.0030985900000000 ] - [ 0.0002058200000000, 0.0029298100000000, -0.0002428200000000 ] - [ 0.0003054100000000, 0.0005926300000000, -0.0000415800000000 ] - [ -0.0002991900000000, -0.0007421000000000, -0.0002041500000000 ] - [ 0.0011753800000000, 0.0041609900000000, 0.0009530300000000 ] - [ -0.0150219800000000, 0.0101115900000000, -0.0053128500000000 ] - [ 0.0001362100000000, -0.0008096500000000, -0.0004572700000000 ] - [ -0.0003969600000000, 0.0008629100000000, -0.0002291400000000 ] - [ -0.0000478500000000, 0.0003580900000000, -0.0000869100000000 ] - [ 0.0005658000000000, 0.0000536000000000, -0.0000183900000000 ] - [ -0.0003782100000000, -0.0014659900000000, -0.0008668300000000 ] - [ 0.0002069800000000, 0.0007934100000000, -0.0001123100000000 ] - [ 0.0020145300000000, -0.0001655800000000, -0.0006219700000000 ] - [ -0.0013916400000000, 0.0021629300000000, 0.0019204100000000 ] - [ 0.0005344900000000, -0.0000638900000000, 0.0004004700000000 ] - [ -0.0002565400000000, 0.0004698800000000, -0.0006138000000000 ] - [ -0.0003251200000000, 0.0007466800000000, 0.0000517500000000 ] - [ 0.0007433100000000, -0.0020996600000000, 0.0014710900000000 ] - [ 0.0004499000000000, -0.0007584200000000, -0.0007098900000000 ] - [ 0.0001801600000000, 0.0004821700000000, 0.0003689400000000 ] - [ -0.0003961900000000, 0.0002007900000000, 0.0001215800000000 ] - [ 0.0018899700000000, -0.0007555700000000, -0.0006400100000000 ] - [ 0.0000062600000000, -0.0010458200000000, -0.0010718100000000 ] - [ 0.0001036700000000, 0.0007112500000000, 0.0003690400000000 ] - [ 0.0006277700000000, 0.0006192400000000, 0.0009056100000000 ] - [ -0.0018044900000000, 0.0013220200000000, -0.0019226100000000 ] - [ 0.0010528600000000, 0.0000675800000000, -0.0009864600000000 ] - [ -0.0002575400000000, 0.0000044800000000, 0.0005652300000000 ] - [ 0.0054694900000000, -0.0016671000000000, -0.0032519200000000 ] - [ -0.0005573200000000, 0.0015051700000000, 0.0003817600000000 ] - [ 0.0009064300000000, 0.0001164100000000, 0.0002679500000000 ] - [ -0.0004026200000000, -0.0004446500000000, -0.0002830500000000 ] - [ -0.0021411000000000, -0.0011188900000000, 0.0003248200000000 ] - [ -0.0003781000000000, 0.0001854400000000, 0.0001324500000000 ] - [ -0.0001122100000000, 0.0005311800000000, 0.0003268600000000 ] - [ 0.0014565700000000, 0.0003523100000000, -0.0006372200000000 ] - [ -0.0000070500000000, 0.0002672300000000, 0.0001081800000000 ] - [ 0.0008082800000000, 0.0003158500000000, -0.0002188700000000 ] - [ -0.0070919800000000, -0.0007327000000000, -0.0054632800000000 ] - [ 0.0005949300000000, 0.0009894700000000, 0.0005200500000000 ] - [ 0.0004603500000000, 0.0004372900000000, 0.0004184600000000 ] - [ -0.0010778500000000, -0.0001516200000000, -0.0007525600000000 ] - [ 0.0001279200000000, -0.0010949900000000, 0.0002556500000000 ] - [ -0.0000996400000000, 0.0005413700000000, -0.0000003100000000 ] - [ -0.0002384600000000, -0.0016641100000000, 0.0007521800000000 ] - [ 0.0027127300000000, -0.0003883800000000, -0.0037683600000000 ] - [ -0.0001734900000000, -0.0001551400000000, 0.0000454400000000 ] - [ -0.0001786500000000, -0.0006601800000000, -0.0001663600000000 ] - [ 0.0000031800000000, 0.0011151400000000, 0.0002768300000000 ] - [ -0.0001902000000000, -0.0001427100000000, -0.0001984500000000 ] - [ 0.0015456700000000, -0.0013143800000000, -0.0004188600000000 ] - [ -0.0028518600000000, -0.0004949200000000, -0.0004821500000000 ] - [ -0.0003478000000000, 0.0011121400000000, -0.0008097300000000 ] - [ -0.0004358300000000, -0.0009423900000000, -0.0000035900000000 ] - [ 0.0004943600000000, -0.0001574900000000, -0.0001830300000000 ] - [ 0.0001413300000000, 0.0003642100000000, -0.0003020500000000 ] - [ -0.0003782800000000, 0.0006326000000000, -0.0002359600000000 ] - [ -0.0001462000000000, -0.0002212600000000, -0.0001460000000000 ] - [ -0.0002809800000000, -0.0008558200000000, -0.0001452200000000 ] - [ 0.0013619700000000, -0.0000532500000000, -0.0006079900000000 ] - [ -0.0006744900000000, -0.0004577500000000, -0.0008654600000000 ] - [ 0.0015234700000000, 0.0001787300000000, 0.0020200400000000 ] - [ 0.0044184700000000, 0.0068905200000000, 0.0003673800000000 ] - [ -0.0007258100000000, -0.0012326300000000, -0.0000294800000000 ] - [ 0.0006289500000000, -0.0006296300000000, -0.0000600400000000 ] - [ -0.0012294600000000, 0.0002717000000000, 0.0015401000000000 ] - [ 0.0012733000000000, -0.0000183000000000, 0.0023503800000000 ] - [ -0.0013597400000000, -0.0002000800000000, -0.0004557300000000 ] - [ -0.0001745100000000, 0.0002015400000000, -0.0005344000000000 ] - [ 0.0003131500000000, -0.0006816800000000, -0.0001582200000000 ] - [ -0.0001927800000000, -0.0010831400000000, -0.0002188600000000 ] - [ -0.0001016000000000, 0.0009762300000000, 0.0005905400000000 ] - [ -0.0039512900000000, -0.0008581100000000, 0.0011016000000000 ] - [ 0.0004463800000000, -0.0020419500000000, -0.0009694200000000 ] - [ -0.0050000400000000, 0.0258768900000000, -0.0089280400000000 ] - [ 0.0008159500000000, -0.0047532900000000, -0.0003337400000000 ] - [ 0.0131911800000000, 0.0738567300000000, -0.0539974500000000 ] - [ -0.0011977700000000, -0.0045366100000000, -0.0017787400000000 ] - [ -0.0001024300000000, -0.0003032000000000, -0.0000872700000000 ] - [ 0.0003062800000000, 0.0002814100000000, 0.0004300600000000 ] - [ -0.0004773500000000, 0.0012033500000000, -0.0002310900000000 ] - [ 0.0003796100000000, -0.0007868800000000, -0.0001478600000000 ] - [ -0.0108199700000000, -0.0019373100000000, -0.0075990800000000 ] - [ 0.0017307600000000, -0.0107202000000000, 0.0020508600000000 ] - [ -0.0010108300000000, -0.0000205700000000, 0.0006984000000000 ] - [ 0.0008203200000000, -0.0002484500000000, 0.0002625700000000 ] - [ 0.0003455500000000, -0.0012913300000000, 0.0001916400000000 ] - [ -0.0018892100000000, 0.0016812300000000, -0.0013705700000000 ] - [ -0.0009539400000000, 0.0020086800000000, 0.0030339500000000 ] - [ 0.0001438400000000, -0.0018987000000000, -0.0004917500000000 ] - [ 0.0008844600000000, -0.0023674000000000, -0.0013140000000000 ] - [ 0.0002884000000000, -0.0027235500000000, 0.0050862000000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000720900000000, -0.0002098400000000, 0.0000637300000000 ] - [ -0.0002742600000000, 0.0004850900000000, -0.0001779300000000 ] - [ 0.0002567400000000, 0.0038617300000000, -0.0004751400000000 ] - [ -0.0001558200000000, -0.0011135900000000, -0.0003814200000000 ] - [ -0.0000115100000000, -0.0010795100000000, -0.0025783000000000 ] - [ -0.0000320100000000, -0.0013293700000000, 0.0014270300000000 ] - [ -0.0001457300000000, 0.0000733200000000, 0.0002694600000000 ] - [ 0.0001062400000000, -0.0000022500000000, -0.0000937800000000 ] - [ -0.0093688500000000, -0.0170737100000000, -0.0007525300000000 ] - [ 0.0001811700000000, -0.0043488800000000, -0.0011979600000000 ] - [ 0.0000175200000000, -0.0000928000000000, 0.0000538500000000 ] - [ 0.0001576800000000, -0.0001827800000000, 0.0001885600000000 ] - [ -0.0005168000000000, 0.0006549200000000, -0.0005500100000000 ] - [ 0.0000178000000000, -0.0005500300000000, 0.0001787300000000 ] - [ 0.0002492500000000, -0.0005885300000000, -0.0002769000000000 ] - [ -0.0008667400000000, 0.0009730200000000, 0.0026019000000000 ] - [ 0.0000565800000000, -0.0001826800000000, 0.0001154500000000 ] - [ 0.0003749000000000, -0.0004077700000000, 0.0001239200000000 ] - [ -0.0002624300000000, -0.0019934100000000, 0.0044563200000000 ] - [ -0.0005628300000000, -0.0004654100000000, -0.0007280100000000 ] - [ 0.0021473900000000, 0.0009130200000000, 0.0120299500000000 ] - [ 0.0003653300000000, -0.0009885100000000, 0.0002779200000000 ] - [ -0.0001342900000000, -0.0006508500000000, 0.0000006600000000 ] - [ -0.0002080400000000, 0.0004090100000000, 0.0006547700000000 ] - [ -0.0010417500000000, 0.1110556700000000, -0.0888831500000000 ] - [ -0.0001841200000000, -0.0025022800000000, 0.0006778200000000 ] - [ 0.0002694700000000, -0.0002209900000000, -0.0001754500000000 ] - [ 0.0001953700000000, 0.0005348400000000, 0.0004879000000000 ] - [ -0.0005126800000000, 0.0001598400000000, -0.0003116200000000 ] - [ -0.0000834100000000, -0.0002090300000000, -0.0001383400000000 ] - [ -0.0018241300000000, 0.0009384400000000, -0.0001184800000000 ] - [ 0.0003662300000000, -0.0006065900000000, 0.0000753500000000 ] - [ 0.0004302000000000, -0.0003131700000000, 0.0002692300000000 ] - [ -0.0000326600000000, -0.0003121900000000, 0.0005205700000000 ] - [ 0.0003735600000000, -0.0008394700000000, 0.0003555200000000 ] - [ -0.0004004200000000, 0.0007571000000000, 0.0003014000000000 ] - [ -0.0032094000000000, 0.0042687200000000, -0.0031112600000000 ] - [ -0.0001641800000000, -0.0027098600000000, 0.0002396300000000 ] - [ -0.0003504200000000, -0.0008136000000000, 0.0000347700000000 ] - [ 0.0002591000000000, 0.0005268700000000, 0.0001947900000000 ] - [ -0.0008949000000000, -0.0042013400000000, -0.0013628700000000 ] - [ 0.0154342900000000, -0.0101535700000000, 0.0049146700000000 ] - [ -0.0004015500000000, 0.0008794800000000, 0.0000390900000000 ] - [ 0.0001324000000000, -0.0007931200000000, -0.0001907200000000 ] - [ 0.0003126300000000, -0.0002861800000000, -0.0003322000000000 ] - [ -0.0002947600000000, 0.0000137500000000, -0.0004073600000000 ] - [ 0.0001147100000000, 0.0013877600000000, 0.0004457300000000 ] - [ -0.0004696300000000, -0.0008587300000000, -0.0003079900000000 ] - [ -0.0025080800000000, 0.0000806900000000, 0.0010680300000000 ] - [ 0.0008849200000000, -0.0022199600000000, -0.0014619000000000 ] - [ -0.0000266900000000, 0.0001267500000000, 0.0000548700000000 ] - [ 0.0007622100000000, -0.0003873100000000, 0.0010571100000000 ] - [ -0.0001873200000000, -0.0006804200000000, 0.0004047300000000 ] - [ -0.0012550100000000, 0.0021788700000000, -0.0010211900000000 ] - [ 0.0000643900000000, 0.0006939500000000, 0.0011661300000000 ] - [ 0.0003276700000000, -0.0005602000000000, 0.0000778300000000 ] - [ 0.0002353100000000, -0.0006613700000000, 0.0001374500000000 ] - [ -0.0020487900000000, 0.0003064500000000, 0.0008855200000000 ] - [ 0.0001521300000000, 0.0014995100000000, 0.0013174500000000 ] - [ 0.0000522800000000, -0.0002578100000000, -0.0001320000000000 ] - [ -0.0007813800000000, -0.0001801600000000, -0.0006716700000000 ] - [ 0.0016478900000000, -0.0008566100000000, 0.0021797200000000 ] - [ -0.0009022900000000, -0.0005332600000000, 0.0012439400000000 ] - [ 0.0004172600000000, -0.0004574900000000, -0.0003283100000000 ] - [ -0.0064147700000000, 0.0019061200000000, 0.0034750000000000 ] - [ -0.0003733800000000, -0.0011792900000000, -0.0001858800000000 ] - [ 0.0000266400000000, -0.0004448500000000, -0.0000701700000000 ] - [ 0.0013177500000000, 0.0001131100000000, 0.0004801000000000 ] - [ 0.0012055100000000, 0.0007833400000000, -0.0001276600000000 ] - [ -0.0005627000000000, -0.0005042200000000, 0.0000662500000000 ] - [ 0.0010341300000000, -0.0002000600000000, -0.0001289000000000 ] - [ -0.0005088700000000, -0.0000211300000000, 0.0008359400000000 ] - [ 0.0003808800000000, 0.0000880400000000, 0.0000677600000000 ] - [ -0.0004457800000000, 0.0000330200000000, 0.0003976200000000 ] - [ 0.0066033500000000, 0.0004143600000000, 0.0055729700000000 ] - [ -0.0009603800000000, -0.0013397400000000, -0.0003440200000000 ] - [ -0.0000938300000000, -0.0007882200000000, -0.0002407100000000 ] - [ 0.0014440100000000, -0.0001978000000000, 0.0009236000000000 ] - [ -0.0000876900000000, 0.0008730600000000, -0.0002619700000000 ] - [ 0.0001363500000000, -0.0007573700000000, -0.0000063100000000 ] - [ 0.0007603000000000, 0.0012655200000000, -0.0011435200000000 ] - [ -0.0021955900000000, -0.0000205700000000, 0.0033768400000000 ] - [ -0.0001777000000000, -0.0006515600000000, -0.0004073400000000 ] - [ -0.0001714900000000, -0.0001466100000000, -0.0001946200000000 ] - [ -0.0003539600000000, -0.0003034800000000, -0.0006370700000000 ] - [ -0.0001623700000000, 0.0009498900000000, -0.0001628400000000 ] - [ -0.0011854500000000, 0.0021188400000000, 0.0000556500000000 ] - [ 0.0031219700000000, 0.0011680100000000, 0.0001260200000000 ] - [ -0.0001812400000000, -0.0014985800000000, 0.0004191200000000 ] - [ -0.0000903200000000, 0.0005451500000000, -0.0003952700000000 ] - [ 0.0000331100000000, 0.0005515700000000, -0.0002125000000000 ] - [ 0.0003852000000000, 0.0000293900000000, -0.0000918000000000 ] - [ -0.0001426900000000, -0.0002380600000000, -0.0001587500000000 ] - [ -0.0003781000000000, 0.0006151900000000, -0.0002514800000000 ] - [ 0.0006311500000000, 0.0000500100000000, -0.0002171400000000 ] - [ -0.0010082600000000, -0.0007565600000000, 0.0002446500000000 ] - [ 0.0008501000000000, 0.0005278400000000, 0.0010598600000000 ] - [ -0.0013371700000000, -0.0001189700000000, -0.0018274500000000 ] - [ -0.0045765700000000, -0.0068103800000000, -0.0001703900000000 ] - [ 0.0005517800000000, 0.0012969400000000, 0.0002202000000000 ] - [ -0.0004492700000000, 0.0005642100000000, 0.0002465100000000 ] - [ 0.0013994300000000, -0.0003358900000000, -0.0013578400000000 ] - [ -0.0015345000000000, 0.0001894100000000, -0.0024784800000000 ] - [ 0.0010982700000000, 0.0003612700000000, 0.0003287500000000 ] - [ 0.0004429200000000, -0.0003699200000000, 0.0003954100000000 ] - [ -0.0000501600000000, 0.0005090200000000, 0.0000196300000000 ] - [ -0.0000656700000000, 0.0009144100000000, 0.0000819500000000 ] - [ -0.0001586900000000, -0.0011511100000000, -0.0007253700000000 ] - [ 0.0038022700000000, 0.0008178700000000, -0.0009116500000000 ] - [ -0.0006332400000000, 0.0019699400000000, 0.0011583600000000 ] - [ 0.0046469800000000, -0.0255898200000000, 0.0083306000000000 ] - [ -0.0005552700000000, 0.0049140400000000, 0.0001894700000000 ] - [ -0.0130605300000000, -0.0718501000000000, 0.0507168400000000 ] - [ 0.0009137500000000, 0.0044153100000000, 0.0017342300000000 ] - [ 0.0003907900000000, 0.0004328300000000, 0.0000280400000000 ] - [ -0.0000179400000000, -0.0001562200000000, -0.0004884800000000 ] - [ 0.0002064600000000, -0.0010732400000000, 0.0001751700000000 ] - [ -0.0006617600000000, 0.0009144200000000, 0.0000928000000000 ] - [ 0.0106606000000000, 0.0021870900000000, 0.0073664400000000 ] - [ -0.0018097200000000, 0.0108435900000000, -0.0022345100000000 ] - [ 0.0010726300000000, -0.0001348200000000, -0.0008659100000000 ] - [ -0.0007663900000000, 0.0000885700000000, -0.0004235000000000 ] - [ -0.0003938300000000, 0.0011321200000000, -0.0003600600000000 ] - [ 0.0018414800000000, -0.0018402000000000, 0.0011994000000000 ] - [ 0.0009803400000000, -0.0018461300000000, -0.0031999000000000 ] - [ -0.0000907600000000, 0.0020541300000000, 0.0003309200000000 ] - [ -0.0006028400000000, 0.0022411200000000, 0.0012534100000000 ] - [ -0.0000011300000000, 0.0025420100000000, -0.0051129500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001762500000000, -0.0000366400000000, -0.0001034200000000 ] - [ -0.0001853100000000, 0.0003887400000000, -0.0002862400000000 ] - [ 0.0071858900000000, 0.0006285000000000, 0.0247052700000000 ] - [ -0.0002268700000000, -0.0004965200000000, -0.0003077200000000 ] - [ -0.0003836200000000, 0.0016026100000000, 0.0004623200000000 ] - [ 0.0005996200000000, -0.0027375600000000, -0.0000516500000000 ] - [ 0.0000613100000000, -0.0001550200000000, 0.0003881400000000 ] - [ 0.0001309000000000, 0.0000999100000000, -0.0000019900000000 ] - [ -0.0036657000000000, -0.0010689800000000, -0.0072028800000000 ] - [ -0.0011265100000000, -0.0013339100000000, -0.0018958800000000 ] - [ 0.0002019400000000, -0.0002456000000000, 0.0002776700000000 ] - [ 0.0002325400000000, -0.0001639300000000, 0.0002685700000000 ] - [ 0.0000506000000000, 0.0004004800000000, -0.0007874000000000 ] - [ 0.0000730000000000, -0.0003386300000000, 0.0000377100000000 ] - [ -0.0001620600000000, -0.0001259700000000, 0.0003751700000000 ] - [ -0.0034418100000000, 0.0026993800000000, 0.0088251000000000 ] - [ 0.0003717300000000, -0.0002354800000000, -0.0000035800000000 ] - [ 0.0004864400000000, -0.0003956700000000, -0.0000762800000000 ] - [ -0.0010997300000000, -0.0040292600000000, 0.0033313100000000 ] - [ -0.0005559600000000, 0.0010267800000000, -0.0001330300000000 ] - [ 0.0059552800000000, -0.0131934600000000, 0.0308456600000000 ] - [ 0.0000688400000000, 0.0000234800000000, 0.0002605500000000 ] - [ -0.0000683300000000, -0.0004883200000000, 0.0001596600000000 ] - [ 0.0001395800000000, 0.0003778100000000, 0.0008920200000000 ] - [ -0.0846087400000000, 0.0891902600000000, -0.1992941700000000 ] - [ -0.0005221900000000, -0.0007898600000000, -0.0001454900000000 ] - [ 0.0003571600000000, -0.0000599000000000, 0.0000555100000000 ] - [ 0.0003526700000000, 0.0005967800000000, 0.0007077400000000 ] - [ -0.0002049600000000, -0.0001989700000000, -0.0007497000000000 ] - [ -0.0000467700000000, -0.0000265300000000, -0.0001534900000000 ] - [ -0.0025442800000000, 0.0003169100000000, -0.0006132200000000 ] - [ 0.0002155300000000, -0.0002419400000000, 0.0000070400000000 ] - [ -0.0002707700000000, -0.0006327700000000, 0.0014653800000000 ] - [ -0.0004110400000000, -0.0003867800000000, 0.0014686400000000 ] - [ 0.0002321900000000, -0.0012085700000000, 0.0005933900000000 ] - [ -0.0003032200000000, 0.0025427600000000, 0.0018807700000000 ] - [ 0.0078831700000000, 0.0084510900000000, -0.0005296900000000 ] - [ -0.0001626300000000, -0.0012506700000000, -0.0003255400000000 ] - [ -0.0002584300000000, -0.0008025300000000, 0.0002393200000000 ] - [ 0.0002551800000000, 0.0005221100000000, 0.0003918100000000 ] - [ -0.0001836200000000, -0.0012503000000000, -0.0009496300000000 ] - [ 0.0081226200000000, -0.0085491000000000, -0.0034892200000000 ] - [ -0.0002617000000000, 0.0005771900000000, 0.0003044500000000 ] - [ 0.0000776900000000, -0.0005540000000000, -0.0000691500000000 ] - [ 0.0002898000000000, -0.0002907300000000, -0.0005700100000000 ] - [ 0.0001312200000000, 0.0003533300000000, -0.0009162300000000 ] - [ 0.0000124400000000, -0.0014370600000000, 0.0022574400000000 ] - [ -0.0003642900000000, 0.0001345300000000, 0.0001238200000000 ] - [ -0.0006547900000000, -0.0009762300000000, -0.0022593000000000 ] - [ 0.0003558000000000, -0.0014925500000000, -0.0013796000000000 ] - [ 0.0004938700000000, -0.0000795700000000, 0.0012231000000000 ] - [ 0.0008934500000000, -0.0006176600000000, 0.0011938700000000 ] - [ -0.0001111900000000, -0.0003550500000000, 0.0000851000000000 ] - [ 0.0020082100000000, 0.0014621400000000, -0.0021471600000000 ] - [ -0.0000282000000000, 0.0007911500000000, 0.0022754400000000 ] - [ 0.0002768800000000, -0.0001111400000000, 0.0005089500000000 ] - [ -0.0001164300000000, -0.0003467300000000, 0.0000175900000000 ] - [ -0.0027009000000000, -0.0003859900000000, 0.0001133600000000 ] - [ 0.0021795000000000, 0.0006443100000000, 0.0012611300000000 ] - [ 0.0001293000000000, -0.0000451900000000, 0.0000145000000000 ] - [ 0.0005114500000000, 0.0015040300000000, 0.0005487000000000 ] - [ 0.0011993400000000, -0.0005231800000000, 0.0010882600000000 ] - [ -0.0018661000000000, -0.0015271900000000, 0.0019549000000000 ] - [ 0.0001453900000000, -0.0002910300000000, -0.0000694400000000 ] - [ -0.0161049300000000, -0.0071614600000000, 0.0041396900000000 ] - [ -0.0007367300000000, -0.0003479000000000, -0.0002415000000000 ] - [ 0.0008490900000000, -0.0002108100000000, 0.0003516800000000 ] - [ 0.0018228800000000, -0.0001404000000000, 0.0005248400000000 ] - [ 0.0021060700000000, 0.0001871400000000, -0.0004040200000000 ] - [ -0.0002543200000000, -0.0002402100000000, 0.0000085300000000 ] - [ 0.0001413400000000, 0.0002775800000000, 0.0005686600000000 ] - [ -0.0016512400000000, -0.0007728800000000, 0.0016128800000000 ] - [ 0.0001774200000000, 0.0001137300000000, 0.0002067500000000 ] - [ -0.0005976600000000, 0.0000671400000000, 0.0005293400000000 ] - [ 0.0068804600000000, -0.0038406100000000, 0.0027594900000000 ] - [ -0.0005332300000000, -0.0002977700000000, -0.0002368900000000 ] - [ 0.0001458200000000, -0.0001496500000000, 0.0004881600000000 ] - [ 0.0029198500000000, -0.0014104400000000, 0.0016823700000000 ] - [ -0.0002127100000000, 0.0001919900000000, -0.0007128700000000 ] - [ 0.0001002900000000, -0.0003497000000000, -0.0001160200000000 ] - [ 0.0005418100000000, 0.0004864500000000, -0.0000772600000000 ] - [ 0.0025330800000000, -0.0030543800000000, 0.0001667400000000 ] - [ -0.0004240800000000, -0.0004609400000000, -0.0007803200000000 ] - [ -0.0002468000000000, -0.0002710500000000, -0.0002993500000000 ] - [ -0.0001917200000000, -0.0000737200000000, -0.0016167200000000 ] - [ -0.0000878500000000, 0.0006662500000000, -0.0003924100000000 ] - [ 0.0001703200000000, 0.0011679700000000, 0.0005557100000000 ] - [ 0.0013000100000000, 0.0005096700000000, 0.0028096300000000 ] - [ 0.0008081100000000, -0.0020596400000000, -0.0025758300000000 ] - [ -0.0000043000000000, 0.0004078200000000, -0.0004864500000000 ] - [ -0.0000713500000000, 0.0006570700000000, -0.0001602800000000 ] - [ -0.0000159300000000, -0.0001993200000000, -0.0001246700000000 ] - [ -0.0006886900000000, -0.0000637200000000, -0.0004787900000000 ] - [ -0.0004603600000000, 0.0004097100000000, -0.0002541100000000 ] - [ 0.0001286800000000, -0.0002262100000000, 0.0000346700000000 ] - [ -0.0007887700000000, -0.0005892300000000, 0.0004076800000000 ] - [ -0.0002595400000000, -0.0001023900000000, -0.0011529600000000 ] - [ -0.0021903200000000, 0.0011086900000000, -0.0010529900000000 ] - [ -0.0072574100000000, -0.0036587400000000, 0.0003877400000000 ] - [ -0.0000908500000000, 0.0004555000000000, 0.0002534800000000 ] - [ 0.0003281200000000, -0.0001057300000000, -0.0000814000000000 ] - [ 0.0025618000000000, -0.0006019800000000, -0.0019673300000000 ] - [ 0.0001604600000000, 0.0023497600000000, -0.0030353300000000 ] - [ 0.0017455900000000, -0.0014137100000000, -0.0017883000000000 ] - [ 0.0001396900000000, -0.0001359600000000, 0.0008490000000000 ] - [ -0.0002714000000000, -0.0000010400000000, 0.0003463100000000 ] - [ -0.0001552100000000, 0.0006141300000000, -0.0002395800000000 ] - [ -0.0005118000000000, -0.0009432000000000, -0.0011872800000000 ] - [ 0.0061949600000000, 0.0051073400000000, 0.0021192500000000 ] - [ -0.0001347900000000, 0.0010649800000000, 0.0009190200000000 ] - [ 0.0758802600000000, -0.0113434000000000, 0.0786354800000000 ] - [ 0.0003392900000000, 0.0017015600000000, 0.0005129100000000 ] - [ -0.0082277500000000, -0.0501564800000000, 0.0712265800000000 ] - [ 0.0007642700000000, 0.0007470200000000, 0.0018553600000000 ] - [ -0.0001965900000000, 0.0004169300000000, -0.0002122000000000 ] - [ -0.0003823200000000, -0.0000760000000000, -0.0005786500000000 ] - [ -0.0007953000000000, -0.0002990000000000, 0.0004556800000000 ] - [ -0.0008103300000000, 0.0004340100000000, 0.0001194600000000 ] - [ 0.0035373800000000, -0.0083957000000000, 0.0058760100000000 ] - [ -0.0006308900000000, 0.0075722900000000, 0.0013146900000000 ] - [ 0.0008875700000000, 0.0002133700000000, -0.0020158000000000 ] - [ -0.0006422300000000, -0.0001371900000000, -0.0009626300000000 ] - [ -0.0002511200000000, 0.0006332100000000, 0.0002268300000000 ] - [ 0.0010382700000000, -0.0011319900000000, 0.0039168300000000 ] - [ -0.0037044900000000, -0.0025022100000000, -0.0139013300000000 ] - [ 0.0002105600000000, 0.0012574000000000, -0.0004884700000000 ] - [ 0.0005626400000000, -0.0000701500000000, -0.0018246200000000 ] - [ -0.0007136900000000, 0.0093180700000000, -0.0125133700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000510300000000, 0.0002409900000000, 0.0000093100000000 ] - [ 0.0003100100000000, -0.0001834200000000, 0.0001913600000000 ] - [ -0.0073977900000000, -0.0008898900000000, -0.0252801900000000 ] - [ 0.0001040000000000, 0.0002944200000000, 0.0002203000000000 ] - [ 0.0005170600000000, -0.0018120100000000, -0.0005718400000000 ] - [ -0.0004575800000000, 0.0025158200000000, -0.0000721400000000 ] - [ -0.0001897600000000, 0.0003620000000000, -0.0004822100000000 ] - [ -0.0002585600000000, 0.0001023300000000, -0.0000894700000000 ] - [ 0.0034079300000000, 0.0011907400000000, 0.0072513300000000 ] - [ 0.0008858000000000, 0.0015396400000000, 0.0018910300000000 ] - [ 0.0000374800000000, 0.0000617200000000, -0.0002882100000000 ] - [ 0.0000071200000000, -0.0000235600000000, -0.0002763500000000 ] - [ -0.0002926200000000, -0.0005857100000000, 0.0007793800000000 ] - [ -0.0003166800000000, 0.0001543400000000, -0.0000480200000000 ] - [ 0.0004063100000000, 0.0003110900000000, -0.0003876900000000 ] - [ 0.0036929500000000, -0.0025137400000000, -0.0088360000000000 ] - [ 0.0000140100000000, -0.0002123700000000, 0.0004084700000000 ] - [ -0.0001029400000000, -0.0000550400000000, 0.0004796400000000 ] - [ 0.0007226900000000, 0.0044687100000000, -0.0028961100000000 ] - [ 0.0001756500000000, -0.0005835200000000, 0.0005556400000000 ] - [ -0.0054933400000000, 0.0134981200000000, -0.0299005000000000 ] - [ 0.0003226800000000, 0.0004235200000000, 0.0001381900000000 ] - [ -0.0003184500000000, 0.0000421500000000, 0.0002501200000000 ] - [ -0.0005276900000000, -0.0008254600000000, -0.0004817200000000 ] - [ 0.0796860900000000, -0.0922839300000000, 0.2003008700000000 ] - [ -0.0000001500000000, 0.0005854900000000, 0.0001430400000000 ] - [ 0.0001727000000000, 0.0002665500000000, -0.0000615200000000 ] - [ 0.0001802200000000, -0.0003903600000000, -0.0007165100000000 ] - [ -0.0003251700000000, 0.0004066300000000, 0.0007489400000000 ] - [ -0.0004797400000000, 0.0002312000000000, 0.0001488700000000 ] - [ 0.0021782300000000, 0.0000368600000000, 0.0007967100000000 ] - [ -0.0005924300000000, 0.0005962200000000, 0.0001734500000000 ] - [ 0.0008081200000000, 0.0004330200000000, -0.0014793400000000 ] - [ 0.0009443500000000, 0.0001737500000000, -0.0014756300000000 ] - [ -0.0002673500000000, 0.0014321300000000, -0.0005948800000000 ] - [ 0.0002651600000000, -0.0023688400000000, -0.0018867900000000 ] - [ -0.0077980700000000, -0.0082337600000000, 0.0005000100000000 ] - [ 0.0001958700000000, 0.0014596600000000, 0.0003196500000000 ] - [ 0.0002196300000000, 0.0005912700000000, -0.0002392800000000 ] - [ -0.0002930500000000, -0.0007392300000000, -0.0003914200000000 ] - [ 0.0004656400000000, 0.0011786900000000, 0.0004946600000000 ] - [ -0.0078509000000000, 0.0085540900000000, 0.0029465600000000 ] - [ -0.0000318900000000, -0.0005098800000000, -0.0007583800000000 ] - [ -0.0003671100000000, 0.0006191200000000, -0.0003799200000000 ] - [ -0.0000020700000000, 0.0003526300000000, 0.0001210400000000 ] - [ 0.0001574700000000, -0.0002969200000000, 0.0004650700000000 ] - [ -0.0003068300000000, 0.0014080600000000, -0.0027228200000000 ] - [ 0.0000737700000000, -0.0002069800000000, -0.0005739700000000 ] - [ 0.0001541200000000, 0.0009546100000000, 0.0027204900000000 ] - [ -0.0008534500000000, 0.0014770800000000, 0.0018405200000000 ] - [ -0.0000031400000000, 0.0001121200000000, -0.0007796300000000 ] - [ -0.0004001600000000, 0.0006423500000000, -0.0007454400000000 ] - [ -0.0003814000000000, 0.0003708300000000, 0.0003751700000000 ] - [ -0.0024994300000000, -0.0014432600000000, 0.0026156200000000 ] - [ 0.0005134500000000, -0.0008299500000000, -0.0018355600000000 ] - [ 0.0002138200000000, 0.0000693300000000, -0.0000691900000000 ] - [ -0.0000193400000000, -0.0001132500000000, 0.0002314700000000 ] - [ 0.0025579200000000, -0.0000716900000000, 0.0001212300000000 ] - [ -0.0020669400000000, -0.0001882100000000, -0.0010192600000000 ] - [ 0.0000094700000000, 0.0004964800000000, 0.0002122500000000 ] - [ -0.0006530600000000, -0.0010562200000000, -0.0003161400000000 ] - [ -0.0013503300000000, 0.0009842800000000, -0.0008755900000000 ] - [ 0.0020010600000000, 0.0010747900000000, -0.0017162600000000 ] - [ -0.0000091100000000, -0.0001637900000000, 0.0003108700000000 ] - [ 0.0153625000000000, 0.0075070500000000, -0.0039541500000000 ] - [ -0.0001875600000000, 0.0006725600000000, 0.0004419400000000 ] - [ 0.0000678900000000, -0.0001185000000000, -0.0001584900000000 ] - [ -0.0008940900000000, -0.0001788000000000, -0.0003327100000000 ] - [ -0.0030484900000000, -0.0005078900000000, 0.0006055000000000 ] - [ -0.0006848700000000, -0.0000719700000000, 0.0001897800000000 ] - [ 0.0007716100000000, 0.0000569400000000, -0.0003782400000000 ] - [ 0.0025489300000000, 0.0010869900000000, -0.0014202300000000 ] - [ 0.0002057500000000, 0.0002493100000000, -0.0000322000000000 ] - [ 0.0009693300000000, 0.0002899000000000, -0.0003536100000000 ] - [ -0.0073671900000000, 0.0035717800000000, -0.0025842100000000 ] - [ 0.0001755400000000, -0.0000455600000000, 0.0004230600000000 ] - [ 0.0002315700000000, -0.0002079400000000, -0.0003137300000000 ] - [ -0.0025120000000000, 0.0010438700000000, -0.0015080900000000 ] - [ 0.0002417800000000, -0.0004003400000000, 0.0007113600000000 ] - [ -0.0000703400000000, 0.0001398600000000, 0.0001136900000000 ] - [ -0.0000079900000000, -0.0008764700000000, -0.0003280200000000 ] - [ -0.0019943000000000, 0.0026638900000000, -0.0005963200000000 ] - [ 0.0000814400000000, -0.0003441700000000, 0.0004266400000000 ] - [ -0.0000987500000000, -0.0005308400000000, -0.0000563000000000 ] - [ -0.0001612800000000, 0.0008750300000000, 0.0012622600000000 ] - [ -0.0002600800000000, 0.0001399100000000, 0.0000372500000000 ] - [ 0.0001666200000000, -0.0003614600000000, -0.0009133700000000 ] - [ -0.0009700800000000, 0.0002873900000000, -0.0031543000000000 ] - [ -0.0013359400000000, 0.0016583100000000, 0.0021780500000000 ] - [ -0.0005286800000000, -0.0007964400000000, 0.0000922700000000 ] - [ 0.0006069300000000, -0.0002696100000000, -0.0002377400000000 ] - [ 0.0005509900000000, 0.0005899900000000, -0.0002746500000000 ] - [ 0.0001608500000000, 0.0004531400000000, 0.0000851600000000 ] - [ -0.0000701400000000, -0.0000201200000000, -0.0001423000000000 ] - [ 0.0002210300000000, -0.0005774500000000, -0.0003896300000000 ] - [ 0.0011441700000000, -0.0002157500000000, -0.0007653600000000 ] - [ 0.0004425900000000, 0.0001769100000000, 0.0013547100000000 ] - [ 0.0023630800000000, -0.0010219300000000, 0.0012646500000000 ] - [ 0.0071115100000000, 0.0037460800000000, -0.0002197400000000 ] - [ -0.0000896300000000, -0.0003835100000000, -0.0000610500000000 ] - [ -0.0001475100000000, 0.0000295400000000, 0.0002788000000000 ] - [ -0.0023633200000000, 0.0005305200000000, 0.0021683400000000 ] - [ -0.0004442500000000, -0.0022085700000000, 0.0029042400000000 ] - [ -0.0020285100000000, 0.0016058500000000, 0.0016492900000000 ] - [ 0.0001283600000000, -0.0000336400000000, -0.0009787400000000 ] - [ 0.0005392900000000, -0.0001673700000000, -0.0004734700000000 ] - [ -0.0001077200000000, -0.0007818300000000, 0.0001090300000000 ] - [ 0.0002514700000000, 0.0007782400000000, 0.0010590100000000 ] - [ -0.0063677400000000, -0.0051973600000000, -0.0019404600000000 ] - [ -0.0000425300000000, -0.0011479100000000, -0.0007403700000000 ] - [ -0.0718208500000000, 0.0109531400000000, -0.0767851500000000 ] - [ -0.0000778800000000, -0.0015236400000000, -0.0006325200000000 ] - [ 0.0084218600000000, 0.0535993000000000, -0.0742541200000000 ] - [ -0.0010543600000000, -0.0008795200000000, -0.0019363400000000 ] - [ 0.0004831700000000, -0.0002919800000000, 0.0001552400000000 ] - [ 0.0006724200000000, 0.0002050400000000, 0.0005228400000000 ] - [ 0.0005243000000000, 0.0004254900000000, -0.0005161500000000 ] - [ 0.0005344300000000, -0.0003067700000000, -0.0001784200000000 ] - [ -0.0035555400000000, 0.0085873200000000, -0.0060122900000000 ] - [ 0.0005663800000000, -0.0074829400000000, -0.0014464200000000 ] - [ -0.0008282400000000, -0.0003717300000000, 0.0018511200000000 ] - [ 0.0007006500000000, -0.0000158200000000, 0.0007927300000000 ] - [ 0.0001967700000000, -0.0007909800000000, -0.0003912200000000 ] - [ -0.0010974400000000, 0.0009758800000000, -0.0040803800000000 ] - [ 0.0038037300000000, 0.0026620600000000, 0.0137794400000000 ] - [ -0.0001585600000000, -0.0011032100000000, 0.0003201000000000 ] - [ -0.0002871500000000, -0.0000561200000000, 0.0017845200000000 ] - [ 0.0009728800000000, -0.0094049900000000, 0.0124662000000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000190400000000, 0.0003797600000000, 0.0004422700000000 ] - [ 0.0002562600000000, -0.0012810600000000, 0.0022976800000000 ] - [ 0.0049378700000000, 0.0014815000000000, 0.0038129000000000 ] - [ 0.0004399400000000, -0.0004199600000000, 0.0000387200000000 ] - [ 0.0004930400000000, -0.0010400800000000, -0.0015150800000000 ] - [ 0.0002285500000000, 0.0001605600000000, -0.0007653800000000 ] - [ -0.0027535300000000, 0.0094719900000000, -0.0114003200000000 ] - [ -0.0006869500000000, -0.0006344400000000, -0.0000387800000000 ] - [ 0.0023355900000000, -0.0016544300000000, -0.0014422700000000 ] - [ 0.0004279700000000, 0.0007153300000000, 0.0003840800000000 ] - [ -0.0003204400000000, 0.0009909700000000, -0.0014757800000000 ] - [ -0.0003739600000000, -0.0007237400000000, 0.0001493100000000 ] - [ 0.0154671600000000, -0.0042511900000000, 0.0097184500000000 ] - [ -0.0004973600000000, 0.0003882400000000, -0.0003194600000000 ] - [ 0.0005364200000000, -0.0002588700000000, -0.0001511900000000 ] - [ 0.0006550800000000, 0.0006924100000000, 0.0004798000000000 ] - [ 0.0000401600000000, 0.0013068000000000, 0.0028153700000000 ] - [ -0.0002255500000000, -0.0007702400000000, 0.0005148600000000 ] - [ 0.0024917400000000, -0.0018295200000000, 0.0029196100000000 ] - [ 0.0001658400000000, 0.0005760800000000, 0.0004394400000000 ] - [ 0.0009420000000000, 0.0013440400000000, -0.0015902800000000 ] - [ 0.0007954100000000, -0.0001756200000000, -0.0003306700000000 ] - [ -0.0005442600000000, 0.0001253400000000, -0.0000097100000000 ] - [ 0.0075791800000000, -0.0064533700000000, -0.0117639100000000 ] - [ 0.0023708900000000, 0.0015181700000000, -0.0023457600000000 ] - [ 0.0003698600000000, -0.0006596900000000, 0.0004059000000000 ] - [ -0.0000072000000000, 0.0003897500000000, 0.0000436100000000 ] - [ -0.0001018600000000, -0.0011505200000000, -0.0027195600000000 ] - [ 0.0071171800000000, 0.0070276400000000, 0.0071778300000000 ] - [ -0.0008062400000000, -0.0006688000000000, -0.0003533100000000 ] - [ -0.2770030800000000, 0.0493897100000000, -0.0241210900000000 ] - [ -0.0017109400000000, 0.0001378600000000, 0.0001903000000000 ] - [ 0.0008705300000000, -0.0007395500000000, 0.0007822200000000 ] - [ 0.0004505200000000, 0.0000817600000000, 0.0000164400000000 ] - [ 0.0010959000000000, -0.0009281500000000, 0.0003635000000000 ] - [ 0.0008429900000000, 0.0005596200000000, 0.0003745200000000 ] - [ 0.0013753600000000, 0.0004075900000000, -0.0027738900000000 ] - [ -0.0002382600000000, -0.0007194500000000, -0.0000761000000000 ] - [ -0.0025682400000000, -0.0001194000000000, -0.0006743500000000 ] - [ -0.0023246000000000, -0.0017144900000000, -0.0006068600000000 ] - [ 0.0013567300000000, -0.0030089000000000, -0.0018373400000000 ] - [ 0.0004009900000000, 0.0029685500000000, -0.0017434900000000 ] - [ -0.0040101600000000, 0.0019905500000000, -0.0015615800000000 ] - [ -0.0006468300000000, -0.0000319200000000, -0.0003175400000000 ] - [ 0.0022019500000000, 0.0029411300000000, 0.0002704200000000 ] - [ 0.0010994000000000, -0.0029774200000000, 0.0006222500000000 ] - [ 0.0011544100000000, 0.0005004200000000, 0.0004096800000000 ] - [ 0.0002982400000000, 0.0001482100000000, -0.0001299300000000 ] - [ 0.0038436800000000, -0.0113482000000000, -0.0058182500000000 ] - [ -0.0010431400000000, 0.0009750200000000, 0.0006028900000000 ] - [ -0.0015795500000000, -0.0002108000000000, 0.0009494400000000 ] - [ -0.0006196200000000, -0.0001358200000000, -0.0003303100000000 ] - [ 0.0005992200000000, 0.0004577000000000, -0.0003829300000000 ] - [ 0.0032954100000000, 0.0002191000000000, -0.0010749900000000 ] - [ 0.0014718600000000, 0.0002186600000000, 0.0008254900000000 ] - [ 0.0009936500000000, 0.0000232400000000, 0.0007292300000000 ] - [ 0.0010751900000000, -0.0002240800000000, 0.0008865100000000 ] - [ 0.0016411400000000, -0.0006347200000000, 0.0011335200000000 ] - [ 0.0033964400000000, -0.0001044700000000, -0.0012474000000000 ] - [ 0.0008469900000000, 0.0000352900000000, -0.0003709300000000 ] - [ -0.0017038200000000, -0.0007451300000000, -0.0021255700000000 ] - [ -0.0013817100000000, 0.0001841100000000, -0.0008934200000000 ] - [ -0.0050224100000000, -0.0092939700000000, 0.0127742800000000 ] - [ -0.0008944300000000, -0.0004041900000000, 0.0008154300000000 ] - [ 0.0317785300000000, -0.0060833900000000, 0.0004087800000000 ] - [ -0.0009057500000000, -0.0001012500000000, 0.0004162300000000 ] - [ -0.0016218600000000, -0.0002379600000000, -0.0002867100000000 ] - [ -0.0016562100000000, -0.0005667700000000, -0.0002281000000000 ] - [ 0.0071292500000000, 0.0021825800000000, -0.0011100400000000 ] - [ 0.0002118800000000, -0.0005387300000000, -0.0001815800000000 ] - [ 0.0021585200000000, -0.0001106400000000, 0.0003291900000000 ] - [ 0.0020765300000000, 0.0002547200000000, 0.0003527000000000 ] - [ 0.0016171200000000, 0.0007228400000000, 0.0002690900000000 ] - [ 0.0016286900000000, -0.0001911600000000, 0.0002833200000000 ] - [ 0.0041986600000000, 0.0004202600000000, 0.0002021900000000 ] - [ 0.0011536000000000, -0.0000963800000000, 0.0000740000000000 ] - [ -0.0005585100000000, -0.0005962700000000, -0.0002194500000000 ] - [ -0.0010853500000000, 0.0003353500000000, -0.0000866500000000 ] - [ 0.0018825700000000, 0.0008980200000000, 0.0012638700000000 ] - [ 0.0003387700000000, -0.0010505300000000, 0.0000139200000000 ] - [ -0.0004293700000000, 0.0013400400000000, -0.0006988700000000 ] - [ -0.0011227600000000, -0.0029457400000000, -0.0006041400000000 ] - [ -0.0011300700000000, -0.0006418600000000, 0.0001305100000000 ] - [ -0.0005217200000000, -0.0002099200000000, -0.0002533500000000 ] - [ -0.0000693700000000, -0.0000936800000000, -0.0015022900000000 ] - [ 0.0001496400000000, 0.0005636400000000, -0.0001099000000000 ] - [ -0.0011640600000000, 0.0007018400000000, -0.0000374500000000 ] - [ -0.0012057300000000, 0.0001527100000000, -0.0000779700000000 ] - [ -0.0010595400000000, -0.0002472400000000, -0.0000979100000000 ] - [ -0.0006830400000000, -0.0001178000000000, -0.0001854200000000 ] - [ -0.0006948100000000, -0.0010138200000000, -0.0000995100000000 ] - [ -0.0007896900000000, 0.0020740600000000, -0.0002205300000000 ] - [ 0.0008485900000000, -0.0000212000000000, -0.0003848700000000 ] - [ 0.0001488700000000, 0.0003333500000000, -0.0001841700000000 ] - [ 0.0027175200000000, -0.0004020800000000, 0.0000058300000000 ] - [ 0.0039048900000000, -0.0000536200000000, -0.0002802400000000 ] - [ 0.0023124600000000, 0.0014313400000000, 0.0014987300000000 ] - [ 0.0025988100000000, 0.0000757200000000, 0.0012268200000000 ] - [ -0.0071124200000000, -0.0010254400000000, 0.0018045600000000 ] - [ -0.0017283500000000, -0.0001687500000000, 0.0008426200000000 ] - [ -0.0020580900000000, -0.0001797800000000, -0.0007561800000000 ] - [ -0.0025503100000000, 0.0000206400000000, -0.0010960400000000 ] - [ -0.0028827800000000, 0.0006867800000000, -0.0025849700000000 ] - [ -0.0006940100000000, -0.0003355500000000, -0.0004527900000000 ] - [ -0.0053482500000000, -0.0020789200000000, -0.0052813400000000 ] - [ 0.0011613900000000, 0.0023443200000000, -0.0006746400000000 ] - [ 0.0005522200000000, -0.0007239000000000, 0.0004202800000000 ] - [ 0.0084256100000000, 0.0017930000000000, 0.0104146500000000 ] - [ 0.0943075200000000, -0.0640901900000000, 0.0226696400000000 ] - [ 0.0015632400000000, -0.0005779100000000, -0.0009705700000000 ] - [ -0.0017169600000000, -0.0027395800000000, 0.0043447000000000 ] - [ -0.0010071500000000, 0.0021514600000000, 0.0004161800000000 ] - [ -0.0175343100000000, 0.0047668200000000, 0.0002260100000000 ] - [ -0.0013075200000000, -0.0000133200000000, -0.0006375400000000 ] - [ 0.0005102500000000, -0.0026540100000000, -0.0008520700000000 ] - [ 0.0013079600000000, 0.0030446500000000, -0.0003671200000000 ] - [ 0.1141903500000000, 0.0275231500000000, -0.0049183600000000 ] - [ 0.0010259200000000, 0.0005586300000000, 0.0003656800000000 ] - [ -0.0024612300000000, 0.0032846000000000, 0.0097012000000000 ] - [ 0.0009470000000000, -0.0021809300000000, 0.0007897900000000 ] - [ 0.0186336700000000, 0.0001614600000000, 0.0035084200000000 ] - [ 0.0020515100000000, 0.0014584200000000, 0.0000613100000000 ] - [ -0.0010706400000000, -0.0018102300000000, -0.0004289900000000 ] - [ -0.0104369800000000, 0.0018430800000000, -0.0058559200000000 ] - [ -0.0049806900000000, -0.0004236300000000, -0.0025860800000000 ] - [ -0.0015756800000000, 0.0009432800000000, -0.0002555200000000 ] - [ -0.0009995200000000, 0.0013199100000000, 0.0005787200000000 ] - [ -0.0002463300000000, -0.0015594300000000, 0.0008698400000000 ]- atom: 31 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001444600000000, -0.0001767500000000, -0.0005335300000000 ] - [ -0.0001338300000000, 0.0014763200000000, -0.0023637000000000 ] - [ -0.0050796000000000, -0.0016992600000000, -0.0039287100000000 ] - [ -0.0005638600000000, 0.0002159000000000, -0.0001323000000000 ] - [ -0.0003619000000000, 0.0008361900000000, 0.0014186700000000 ] - [ -0.0000995300000000, -0.0003677600000000, 0.0006686600000000 ] - [ 0.0025329600000000, -0.0091708600000000, 0.0112114400000000 ] - [ 0.0005561800000000, 0.0008366000000000, -0.0000571300000000 ] - [ -0.0025626200000000, 0.0018647100000000, 0.0014540700000000 ] - [ -0.0006683000000000, -0.0005307700000000, -0.0003899900000000 ] - [ 0.0005572400000000, -0.0011809900000000, 0.0014765400000000 ] - [ 0.0006111300000000, 0.0005334600000000, -0.0001523400000000 ] - [ -0.0154518900000000, 0.0039262000000000, -0.0095137800000000 ] - [ 0.0002504000000000, -0.0005727300000000, 0.0003090800000000 ] - [ -0.0002899500000000, 0.0004430700000000, 0.0001420300000000 ] - [ -0.0004062100000000, -0.0005051600000000, -0.0004902500000000 ] - [ 0.0003422600000000, -0.0017446300000000, -0.0023855100000000 ] - [ 0.0006076700000000, 0.0003189700000000, -0.0001050600000000 ] - [ -0.0028761900000000, 0.0022970800000000, -0.0025272400000000 ] - [ -0.0005533000000000, -0.0001343000000000, -0.0000288600000000 ] - [ -0.0005517100000000, -0.0008978800000000, 0.0020014400000000 ] - [ -0.0003994900000000, 0.0006200700000000, 0.0007293400000000 ] - [ 0.0001483900000000, -0.0005730300000000, 0.0004099600000000 ] - [ -0.0078161100000000, 0.0058547600000000, 0.0119225900000000 ] - [ -0.0029132300000000, -0.0017364500000000, 0.0023635400000000 ] - [ -0.0008954000000000, 0.0004503700000000, -0.0004049700000000 ] - [ 0.0005344900000000, -0.0001852300000000, -0.0000454400000000 ] - [ 0.0006309600000000, 0.0013557500000000, 0.0026980200000000 ] - [ -0.0076391400000000, -0.0066833400000000, -0.0070803200000000 ] - [ 0.0002675200000000, 0.0008708200000000, 0.0003452900000000 ] - [ 0.2724749200000000, -0.0558380200000000, 0.0263220800000000 ] - [ 0.0013377400000000, 0.0002080700000000, -0.0000105600000000 ] - [ -0.0003319000000000, 0.0005338900000000, -0.0007907000000000 ] - [ 0.0000881100000000, -0.0002907600000000, -0.0000236300000000 ] - [ -0.0011313500000000, 0.0011457300000000, -0.0003666400000000 ] - [ -0.0008762100000000, -0.0003540000000000, -0.0003765700000000 ] - [ -0.0013265500000000, -0.0001778300000000, 0.0027780700000000 ] - [ 0.0002677700000000, 0.0009233100000000, 0.0000739000000000 ] - [ 0.0025218400000000, -0.0000961100000000, 0.0006753800000000 ] - [ 0.0022712600000000, 0.0015071600000000, 0.0006126300000000 ] - [ -0.0010600100000000, 0.0029352500000000, 0.0013840600000000 ] - [ -0.0001033600000000, -0.0030388900000000, 0.0012971400000000 ] - [ 0.0036941500000000, -0.0019097100000000, 0.0011303600000000 ] - [ 0.0003616600000000, 0.0000889800000000, -0.0001266300000000 ] - [ -0.0019110100000000, -0.0028647200000000, -0.0007161300000000 ] - [ -0.0008052300000000, 0.0030040200000000, -0.0010642800000000 ] - [ -0.0014335300000000, -0.0005577300000000, -0.0008552000000000 ] - [ -0.0005839500000000, -0.0002158300000000, -0.0003160800000000 ] - [ -0.0042719300000000, 0.0113739000000000, 0.0062502700000000 ] - [ 0.0005555600000000, -0.0009918300000000, -0.0001508700000000 ] - [ 0.0020642000000000, 0.0002344800000000, -0.0004906500000000 ] - [ 0.0011098800000000, 0.0001692400000000, 0.0007785200000000 ] - [ -0.0010891900000000, -0.0004320800000000, 0.0008319400000000 ] - [ -0.0037664900000000, -0.0001905900000000, 0.0015151700000000 ] - [ -0.0009792200000000, -0.0002536300000000, -0.0003809100000000 ] - [ -0.0005027800000000, -0.0000509500000000, -0.0002800800000000 ] - [ -0.0012107700000000, -0.0002320200000000, -0.0006449700000000 ] - [ -0.0017766900000000, 0.0001739100000000, -0.0008799900000000 ] - [ -0.0032553000000000, 0.0005582000000000, 0.0014755500000000 ] - [ -0.0007086200000000, 0.0004174200000000, 0.0006055900000000 ] - [ 0.0015682400000000, 0.0011952700000000, 0.0023569500000000 ] - [ 0.0012443300000000, 0.0002725100000000, 0.0011328800000000 ] - [ 0.0051890200000000, 0.0088412500000000, -0.0125430100000000 ] - [ 0.0010311700000000, -0.0000481200000000, -0.0005825300000000 ] - [ -0.0332275000000000, 0.0064367100000000, -0.0002528100000000 ] - [ -0.0000183400000000, 0.0004266900000000, -0.0002181200000000 ] - [ 0.0025340900000000, -0.0000956300000000, 0.0004839300000000 ] - [ 0.0025622300000000, 0.0002341000000000, 0.0004241600000000 ] - [ -0.0080701700000000, -0.0024935000000000, 0.0012998400000000 ] - [ -0.0011361500000000, 0.0002050600000000, 0.0003769900000000 ] - [ -0.0012336200000000, 0.0004436600000000, -0.0001328000000000 ] - [ -0.0011599100000000, 0.0000767400000000, -0.0001571200000000 ] - [ -0.0012420000000000, -0.0003673000000000, -0.0000891800000000 ] - [ -0.0012430500000000, 0.0005476100000000, -0.0001050100000000 ] - [ -0.0045562100000000, -0.0007661800000000, -0.0000210200000000 ] - [ -0.0015221400000000, -0.0002560900000000, 0.0001061300000000 ] - [ 0.0009379400000000, 0.0002391200000000, 0.0003977800000000 ] - [ 0.0014659300000000, -0.0006930400000000, 0.0002639400000000 ] - [ -0.0018406200000000, -0.0010912700000000, -0.0012537800000000 ] - [ -0.0003044000000000, 0.0008312400000000, -0.0000139600000000 ] - [ 0.0009522100000000, -0.0017254300000000, 0.0003003500000000 ] - [ 0.0016544600000000, 0.0025625100000000, 0.0002072400000000 ] - [ 0.0007838700000000, -0.0001666200000000, -0.0004864600000000 ] - [ 0.0001755000000000, -0.0005929700000000, -0.0001031300000000 ] - [ -0.0002869200000000, 0.0008923400000000, 0.0011383000000000 ] - [ -0.0004974300000000, 0.0002441700000000, -0.0002454500000000 ] - [ 0.0015087300000000, 0.0001038300000000, -0.0003195700000000 ] - [ 0.0015486000000000, 0.0006577400000000, -0.0002776600000000 ] - [ 0.0005253400000000, -0.0001461900000000, -0.0002983000000000 ] - [ 0.0001492600000000, -0.0002721800000000, -0.0002103500000000 ] - [ 0.0012299900000000, 0.0014027400000000, -0.0002887800000000 ] - [ 0.0013173800000000, -0.0016731300000000, -0.0001706900000000 ] - [ -0.0013706900000000, 0.0004089300000000, -0.0000121500000000 ] - [ -0.0006769300000000, 0.0000590700000000, -0.0002121200000000 ] - [ -0.0023585400000000, -0.0003985800000000, -0.0003578400000000 ] - [ -0.0035321200000000, -0.0007649000000000, -0.0000710400000000 ] - [ -0.0021305000000000, -0.0013535800000000, -0.0013115700000000 ] - [ -0.0024176400000000, -0.0000072200000000, -0.0010288700000000 ] - [ 0.0069145300000000, 0.0010756800000000, -0.0016074200000000 ] - [ 0.0015454800000000, 0.0002405000000000, -0.0006493600000000 ] - [ 0.0022345900000000, 0.0001096800000000, 0.0009471000000000 ] - [ 0.0027211300000000, -0.0000910200000000, 0.0012780500000000 ] - [ 0.0026005900000000, -0.0005215900000000, 0.0024570700000000 ] - [ 0.0004162900000000, 0.0005110600000000, 0.0003187200000000 ] - [ 0.0056081700000000, 0.0018913200000000, 0.0051332800000000 ] - [ -0.0008795800000000, -0.0024964700000000, 0.0005397000000000 ] - [ -0.0008135800000000, 0.0005670800000000, -0.0005527200000000 ] - [ -0.0085961200000000, -0.0019899700000000, -0.0105159900000000 ] - [ -0.0981344300000000, 0.0683963200000000, -0.0240587200000000 ] - [ -0.0017409100000000, 0.0005030700000000, 0.0011602900000000 ] - [ 0.0019736600000000, 0.0029089200000000, -0.0044989800000000 ] - [ 0.0012678000000000, -0.0019660900000000, -0.0005435400000000 ] - [ 0.0172505100000000, -0.0049202400000000, -0.0002883500000000 ] - [ 0.0010176700000000, -0.0001071700000000, 0.0005746900000000 ] - [ -0.0002168000000000, 0.0027788600000000, 0.0007794200000000 ] - [ -0.0010110700000000, -0.0029022800000000, 0.0002981200000000 ] - [ -0.1065985700000000, -0.0250031800000000, 0.0044997500000000 ] - [ -0.0012994600000000, -0.0004259300000000, -0.0004153100000000 ] - [ 0.0023572700000000, -0.0031401600000000, -0.0098155000000000 ] - [ -0.0010090100000000, 0.0023406700000000, -0.0009499100000000 ] - [ -0.0185000800000000, -0.0002734300000000, -0.0037379100000000 ] - [ -0.0019875200000000, -0.0016154000000000, -0.0002293200000000 ] - [ 0.0010146700000000, 0.0016524300000000, 0.0002625000000000 ] - [ 0.0103244700000000, -0.0019945100000000, 0.0056565500000000 ] - [ 0.0050262200000000, 0.0005781700000000, 0.0024299900000000 ] - [ 0.0016243300000000, -0.0007850700000000, 0.0000909400000000 ] - [ 0.0012719100000000, -0.0014453500000000, -0.0006331600000000 ] - [ 0.0005200000000000, 0.0014347400000000, -0.0009234600000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002862900000000, 0.0005745400000000, -0.0003759000000000 ] - [ -0.0001867600000000, 0.0003483300000000, -0.0011227000000000 ] - [ -0.0003006000000000, -0.0004499400000000, -0.0001311100000000 ] - [ -0.0000952300000000, 0.0002651200000000, 0.0000572900000000 ] - [ -0.0003402500000000, -0.0002194000000000, 0.0002729300000000 ] - [ 0.0003261800000000, 0.0001308700000000, -0.0002259800000000 ] - [ 0.0077044200000000, 0.0031476700000000, -0.0070994800000000 ] - [ -0.0002471100000000, 0.0014216500000000, -0.0001311400000000 ] - [ -0.0020507200000000, -0.0009921400000000, -0.0003351400000000 ] - [ 0.0003092200000000, 0.0006279600000000, 0.0001506700000000 ] - [ 0.0006791300000000, 0.0000680200000000, -0.0013612300000000 ] - [ -0.0001170500000000, 0.0005824000000000, 0.0001463400000000 ] - [ -0.0114991100000000, 0.0001962800000000, -0.0063433100000000 ] - [ -0.0000526900000000, 0.0007227300000000, -0.0000848600000000 ] - [ -0.0001410700000000, 0.0004444700000000, 0.0002352400000000 ] - [ 0.0001147200000000, -0.0002512100000000, -0.0001537000000000 ] - [ 0.0007181500000000, -0.0002756900000000, 0.0005214300000000 ] - [ 0.0001229900000000, 0.0001942400000000, 0.0001480400000000 ] - [ -0.0009186900000000, -0.0002901200000000, 0.0001842900000000 ] - [ 0.0000014700000000, 0.0005110900000000, 0.0002282100000000 ] - [ 0.0002017100000000, -0.0003443500000000, 0.0002511700000000 ] - [ -0.0001376400000000, 0.0007318900000000, 0.0003785700000000 ] - [ -0.0000577200000000, 0.0009886900000000, 0.0007390300000000 ] - [ -0.0082452600000000, -0.0001447700000000, 0.0075943200000000 ] - [ -0.0002967700000000, -0.0008647400000000, 0.0001314000000000 ] - [ -0.0005307400000000, 0.0006830600000000, -0.0004232500000000 ] - [ 0.0005254000000000, 0.0007098100000000, -0.0000305100000000 ] - [ 0.0001681800000000, 0.0001267100000000, 0.0012267300000000 ] - [ 0.0069829300000000, -0.0004776800000000, 0.0037089400000000 ] - [ -0.0005506900000000, 0.0012606000000000, 0.0001218900000000 ] - [ 0.0541801700000000, -0.1363113800000000, 0.0357021000000000 ] - [ -0.0002308000000000, 0.0012180700000000, 0.0000296900000000 ] - [ -0.0003051900000000, 0.0000401800000000, -0.0001186600000000 ] - [ 0.0004113600000000, -0.0000095600000000, -0.0000732000000000 ] - [ -0.0001915000000000, 0.0003055700000000, 0.0000230400000000 ] - [ -0.0001232800000000, 0.0001306800000000, -0.0000173100000000 ] - [ -0.0006007100000000, -0.0025916800000000, 0.0004888600000000 ] - [ 0.0004406800000000, 0.0017226200000000, -0.0001816300000000 ] - [ 0.0006522300000000, 0.0020550700000000, -0.0006440700000000 ] - [ -0.0001662500000000, 0.0015204800000000, 0.0019848800000000 ] - [ -0.0015261400000000, 0.0028075800000000, 0.0011929900000000 ] - [ 0.0017033400000000, -0.0003075500000000, -0.0010964700000000 ] - [ 0.0010854800000000, -0.0042100400000000, 0.0001399800000000 ] - [ -0.0003122000000000, 0.0016550500000000, -0.0001758200000000 ] - [ 0.0010251200000000, 0.0007451800000000, -0.0000309900000000 ] - [ -0.0003474700000000, 0.0015892400000000, -0.0005604200000000 ] - [ -0.0005082300000000, -0.0007432900000000, -0.0002812700000000 ] - [ -0.0000665800000000, 0.0004413900000000, -0.0001608300000000 ] - [ -0.0102309600000000, 0.0073155100000000, 0.0071028700000000 ] - [ 0.0007243100000000, 0.0016672500000000, -0.0001450800000000 ] - [ 0.0006526400000000, -0.0000008800000000, -0.0007342300000000 ] - [ 0.0004680600000000, 0.0005860800000000, 0.0003607100000000 ] - [ -0.0002736300000000, 0.0004712000000000, 0.0001197800000000 ] - [ -0.0016775900000000, -0.0007604000000000, 0.0010789500000000 ] - [ -0.0000285500000000, -0.0003204200000000, -0.0000156100000000 ] - [ 0.0002481900000000, 0.0002400200000000, 0.0003419500000000 ] - [ -0.0000983800000000, 0.0000676400000000, 0.0000494600000000 ] - [ -0.0004670300000000, -0.0003726500000000, -0.0000768400000000 ] - [ -0.0004038000000000, -0.0002075400000000, 0.0002600900000000 ] - [ -0.0000010900000000, 0.0004952500000000, 0.0002703100000000 ] - [ -0.0000348800000000, 0.0005146800000000, 0.0014961900000000 ] - [ 0.0004457700000000, 0.0007167000000000, -0.0003750400000000 ] - [ -0.0024860600000000, 0.0017714300000000, -0.0075789300000000 ] - [ 0.0002468100000000, 0.0005759000000000, 0.0001456200000000 ] - [ 0.0010633300000000, -0.0042570700000000, 0.0003154000000000 ] - [ -0.0000366900000000, 0.0010525400000000, 0.0000682600000000 ] - [ 0.0008618100000000, 0.0003750200000000, 0.0000684400000000 ] - [ 0.0008395900000000, -0.0001828600000000, 0.0000997100000000 ] - [ 0.0012436100000000, -0.0015176800000000, 0.0002071100000000 ] - [ -0.0008155500000000, 0.0004655300000000, 0.0002014900000000 ] - [ 0.0001927400000000, 0.0002566800000000, 0.0000898000000000 ] - [ 0.0002240100000000, 0.0001390900000000, 0.0000076600000000 ] - [ 0.0005576000000000, 0.0003285400000000, -0.0000247900000000 ] - [ -0.0003603500000000, 0.0003282200000000, 0.0000423500000000 ] - [ -0.0007779700000000, -0.0008312700000000, -0.0000048700000000 ] - [ -0.0002654000000000, 0.0001725900000000, 0.0001331000000000 ] - [ -0.0002338000000000, 0.0002600900000000, 0.0002375900000000 ] - [ 0.0006898300000000, -0.0004598900000000, -0.0000140100000000 ] - [ 0.0003111000000000, -0.0027077800000000, -0.0003126400000000 ] - [ -0.0002750400000000, 0.0009973000000000, -0.0000420200000000 ] - [ 0.0012157400000000, -0.0012354400000000, 0.0001998800000000 ] - [ -0.0014634800000000, -0.0004423400000000, -0.0003569000000000 ] - [ -0.0002530300000000, 0.0002506400000000, -0.0001823000000000 ] - [ -0.0000858200000000, -0.0008039200000000, -0.0001675200000000 ] - [ 0.0001646500000000, 0.0014800200000000, 0.0003775600000000 ] - [ -0.0002775400000000, -0.0000468100000000, -0.0002510600000000 ] - [ 0.0003699300000000, 0.0002999800000000, -0.0001430900000000 ] - [ 0.0003768000000000, 0.0003729600000000, -0.0002059400000000 ] - [ -0.0000968600000000, 0.0001114700000000, -0.0002083400000000 ] - [ -0.0002325800000000, -0.0004931600000000, -0.0001874200000000 ] - [ -0.0005014200000000, -0.0002964600000000, -0.0005138900000000 ] - [ 0.0011228900000000, -0.0006918400000000, -0.0002393500000000 ] - [ -0.0004561100000000, 0.0010622200000000, 0.0000381100000000 ] - [ -0.0002904900000000, -0.0003637800000000, -0.0001632300000000 ] - [ -0.0005996200000000, -0.0017011500000000, -0.0006892500000000 ] - [ 0.0005627100000000, -0.0035525100000000, 0.0025729200000000 ] - [ 0.0002689800000000, -0.0010735900000000, -0.0002567700000000 ] - [ -0.0005988200000000, 0.0000797900000000, 0.0004117200000000 ] - [ 0.0005205100000000, 0.0020960400000000, -0.0002322800000000 ] - [ 0.0001972700000000, -0.0006849900000000, -0.0000245300000000 ] - [ 0.0000710300000000, -0.0004045400000000, 0.0001414000000000 ] - [ 0.0008169800000000, 0.0001625500000000, 0.0004056400000000 ] - [ 0.0008963800000000, 0.0003279500000000, 0.0001633000000000 ] - [ -0.0003795700000000, -0.0002713800000000, -0.0001190500000000 ] - [ -0.0033371800000000, 0.0018900300000000, -0.0018075200000000 ] - [ 0.0004082000000000, -0.0017383700000000, 0.0003435700000000 ] - [ -0.0008913000000000, -0.0027626600000000, 0.0000276600000000 ] - [ -0.0011346900000000, 0.0018446700000000, -0.0077225400000000 ] - [ -0.0759558600000000, 0.0936400400000000, -0.0280145000000000 ] - [ -0.0003299500000000, -0.0022215200000000, -0.0001641200000000 ] - [ -0.0002675600000000, 0.0026953200000000, 0.0003903600000000 ] - [ 0.0008012700000000, -0.0022784300000000, -0.0002097200000000 ] - [ 0.0014409600000000, 0.0020578900000000, 0.0003975800000000 ] - [ -0.0004608500000000, -0.0012769300000000, 0.0000531200000000 ] - [ -0.0009089400000000, -0.0010253200000000, 0.0006499400000000 ] - [ 0.0003154400000000, -0.0010081200000000, -0.0000405200000000 ] - [ 0.0330834600000000, 0.0351721900000000, -0.0041832200000000 ] - [ 0.0002743800000000, -0.0025108400000000, -0.0003450000000000 ] - [ 0.0051052500000000, 0.0018483100000000, -0.0079594300000000 ] - [ -0.0014792900000000, -0.0018018200000000, 0.0008557700000000 ] - [ -0.0021148200000000, 0.0012766500000000, 0.0081134600000000 ] - [ 0.0000178300000000, -0.0035666800000000, -0.0007816400000000 ] - [ -0.0001103500000000, -0.0016776100000000, 0.0001517400000000 ] - [ 0.0047503900000000, 0.0007725800000000, 0.0024658000000000 ] - [ 0.0006369700000000, 0.0007815100000000, 0.0000335600000000 ] - [ 0.0002884100000000, -0.0006764500000000, -0.0003946300000000 ] - [ 0.0009778700000000, -0.0006214700000000, -0.0002744500000000 ] - [ -0.0002535400000000, 0.0003427800000000, 0.0001732800000000 ]- atom: 31 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001560300000000, -0.0003710000000000, 0.0002733000000000 ] - [ 0.0003142200000000, -0.0001399200000000, 0.0010235300000000 ] - [ 0.0001638300000000, 0.0002438100000000, 0.0000225400000000 ] - [ -0.0000366800000000, -0.0004691100000000, -0.0001604200000000 ] - [ 0.0004697900000000, 0.0000148100000000, -0.0003710300000000 ] - [ -0.0001970400000000, -0.0003345000000000, 0.0001269600000000 ] - [ -0.0077172500000000, -0.0029221800000000, 0.0069335400000000 ] - [ 0.0001192800000000, -0.0012168300000000, 0.0000273900000000 ] - [ 0.0017978600000000, 0.0011643600000000, 0.0003242900000000 ] - [ -0.0005505400000000, -0.0004529000000000, -0.0001616700000000 ] - [ -0.0004402000000000, -0.0002452900000000, 0.0013536300000000 ] - [ 0.0003568300000000, -0.0007542500000000, -0.0001573700000000 ] - [ 0.0112681200000000, -0.0003553900000000, 0.0063482900000000 ] - [ -0.0001840000000000, -0.0008991500000000, 0.0000753100000000 ] - [ 0.0003779800000000, -0.0002690800000000, -0.0002444700000000 ] - [ 0.0001206200000000, 0.0004239200000000, 0.0001433200000000 ] - [ -0.0003403500000000, -0.0001766600000000, -0.0001233900000000 ] - [ 0.0002581500000000, -0.0006434700000000, 0.0002523800000000 ] - [ 0.0005315400000000, 0.0007417400000000, 0.0002087800000000 ] - [ -0.0003845100000000, -0.0000591000000000, 0.0001682700000000 ] - [ 0.0001743500000000, 0.0007894400000000, 0.0001611400000000 ] - [ 0.0005109000000000, -0.0002819100000000, 0.0000330300000000 ] - [ -0.0003250300000000, -0.0014421100000000, -0.0003439000000000 ] - [ 0.0078911300000000, -0.0002775600000000, -0.0072152400000000 ] - [ -0.0002359300000000, 0.0006631100000000, -0.0001430100000000 ] - [ 0.0000007400000000, -0.0008787700000000, 0.0004089900000000 ] - [ -0.0000079000000000, -0.0005110400000000, 0.0000278700000000 ] - [ 0.0003548400000000, 0.0000793500000000, -0.0012220000000000 ] - [ -0.0074720000000000, 0.0006695300000000, -0.0037037900000000 ] - [ 0.0000357400000000, -0.0010629400000000, -0.0001264000000000 ] - [ -0.0510743000000000, 0.1351444600000000, -0.0343850600000000 ] - [ -0.0001319400000000, -0.0008698800000000, 0.0001465300000000 ] - [ 0.0008241600000000, -0.0002387100000000, 0.0001117000000000 ] - [ 0.0001075900000000, -0.0001901700000000, 0.0000691600000000 ] - [ 0.0001528700000000, -0.0000893300000000, -0.0000334800000000 ] - [ 0.0000871100000000, 0.0000825800000000, 0.0000056300000000 ] - [ 0.0006438500000000, 0.0028081200000000, -0.0004927000000000 ] - [ -0.0003957700000000, -0.0014978800000000, 0.0001744900000000 ] - [ -0.0006837300000000, -0.0022695100000000, 0.0006380600000000 ] - [ 0.0001339400000000, -0.0017303500000000, -0.0019991800000000 ] - [ 0.0017782000000000, -0.0028619500000000, -0.0015964000000000 ] - [ -0.0014404600000000, 0.0002311900000000, 0.0006812100000000 ] - [ -0.0013371800000000, 0.0042694000000000, -0.0005376400000000 ] - [ 0.0000620600000000, -0.0015956300000000, -0.0002314800000000 ] - [ -0.0007729500000000, -0.0006823700000000, -0.0003824100000000 ] - [ 0.0006037300000000, -0.0015236100000000, 0.0001455800000000 ] - [ 0.0002505000000000, 0.0006767300000000, -0.0001293900000000 ] - [ -0.0001887000000000, -0.0005033200000000, -0.0002490800000000 ] - [ 0.0095702900000000, -0.0072217100000000, -0.0065452800000000 ] - [ -0.0012310500000000, -0.0017302600000000, 0.0005976700000000 ] - [ -0.0001433600000000, 0.0000712200000000, 0.0011794700000000 ] - [ 0.0000388300000000, -0.0005122400000000, 0.0000853400000000 ] - [ -0.0002335000000000, -0.0004034400000000, 0.0003283400000000 ] - [ 0.0011675600000000, 0.0008178100000000, -0.0006258100000000 ] - [ 0.0005304000000000, 0.0002449200000000, 0.0004575700000000 ] - [ 0.0002559100000000, -0.0003039600000000, 0.0001079600000000 ] - [ -0.0000599500000000, -0.0005231900000000, 0.0001916500000000 ] - [ 0.0003077900000000, -0.0000860200000000, 0.0003315000000000 ] - [ 0.0005517000000000, 0.0006597900000000, -0.0000237100000000 ] - [ 0.0001558000000000, -0.0000374600000000, -0.0000192800000000 ] - [ -0.0001154600000000, -0.0000535200000000, -0.0012303100000000 ] - [ -0.0005990800000000, -0.0002580200000000, 0.0006331800000000 ] - [ 0.0026072600000000, -0.0022093800000000, 0.0077055400000000 ] - [ -0.0000903200000000, -0.0010303800000000, 0.0000925000000000 ] - [ -0.0020440100000000, 0.0045766400000000, -0.0001200600000000 ] - [ -0.0008900500000000, -0.0007111200000000, 0.0001274200000000 ] - [ 0.0000602500000000, -0.0007269000000000, 0.0001306500000000 ] - [ 0.0000813000000000, -0.0001660500000000, 0.0000991800000000 ] - [ -0.0022087500000000, 0.0011700900000000, -0.0000040700000000 ] - [ -0.0001051600000000, -0.0008123500000000, -0.0000037900000000 ] - [ 0.0007298800000000, 0.0000850400000000, 0.0001082600000000 ] - [ 0.0006848300000000, 0.0002128300000000, 0.0001888600000000 ] - [ -0.0001928200000000, 0.0000187500000000, 0.0002019100000000 ] - [ 0.0007374900000000, 0.0000283200000000, 0.0001332000000000 ] - [ 0.0004086600000000, 0.0004829300000000, 0.0001818000000000 ] - [ -0.0001106700000000, -0.0005282700000000, 0.0000416900000000 ] - [ 0.0006118300000000, -0.0006157300000000, -0.0000605300000000 ] - [ -0.0003116100000000, 0.0000988400000000, 0.0001892400000000 ] - [ -0.0002717300000000, 0.0024933100000000, 0.0003038700000000 ] - [ 0.0003102100000000, -0.0012109900000000, 0.0000321900000000 ] - [ -0.0006875600000000, 0.0008370600000000, -0.0005908100000000 ] - [ 0.0019942900000000, 0.0000466500000000, -0.0000373700000000 ] - [ -0.0000944900000000, -0.0010575100000000, -0.0001814200000000 ] - [ -0.0002631800000000, -0.0000044200000000, -0.0001946300000000 ] - [ -0.0005158000000000, -0.0006689100000000, -0.0007385000000000 ] - [ -0.0000744600000000, 0.0008562400000000, -0.0001121400000000 ] - [ -0.0000159100000000, 0.0005103800000000, -0.0002202300000000 ] - [ -0.0000234300000000, 0.0004388600000000, -0.0001578900000000 ] - [ -0.0004284800000000, -0.0005067200000000, -0.0001899000000000 ] - [ -0.0002924400000000, 0.0000977600000000, -0.0002087300000000 ] - [ 0.0010312000000000, 0.0006938400000000, 0.0001181400000000 ] - [ -0.0005969000000000, 0.0010804900000000, -0.0001522500000000 ] - [ -0.0000709300000000, -0.0006680600000000, -0.0004342300000000 ] - [ -0.0002374000000000, 0.0007579000000000, -0.0002351400000000 ] - [ 0.0009408700000000, 0.0008902900000000, 0.0003243300000000 ] - [ -0.0002035900000000, 0.0026467800000000, -0.0028790300000000 ] - [ -0.0000929600000000, 0.0011348000000000, 0.0004347300000000 ] - [ 0.0007788800000000, -0.0000249200000000, -0.0002238800000000 ] - [ -0.0006932700000000, -0.0020297800000000, 0.0004250800000000 ] - [ -0.0003807800000000, 0.0007457600000000, 0.0002171000000000 ] - [ 0.0001169900000000, 0.0003426600000000, 0.0000506400000000 ] - [ -0.0006260900000000, -0.0002305400000000, -0.0002140700000000 ] - [ -0.0011521800000000, -0.0001615400000000, -0.0002965700000000 ] - [ 0.0001212300000000, 0.0004372500000000, -0.0000122000000000 ] - [ 0.0036297400000000, -0.0020510400000000, 0.0016860600000000 ] - [ -0.0001479100000000, 0.0015668900000000, -0.0004870900000000 ] - [ 0.0006331400000000, 0.0026036100000000, -0.0001617400000000 ] - [ 0.0008465700000000, -0.0020335800000000, 0.0075437900000000 ] - [ 0.0722268800000000, -0.0918976400000000, 0.0270818200000000 ] - [ 0.0001371000000000, 0.0021565000000000, 0.0003646500000000 ] - [ 0.0005356800000000, -0.0025249500000000, -0.0005320000000000 ] - [ -0.0005324100000000, 0.0024372400000000, 0.0000680200000000 ] - [ -0.0017215300000000, -0.0021767500000000, -0.0004478800000000 ] - [ 0.0001807200000000, 0.0011468700000000, -0.0001077500000000 ] - [ 0.0011937300000000, 0.0011620200000000, -0.0007077600000000 ] - [ -0.0000341100000000, 0.0011268300000000, -0.0000221100000000 ] - [ -0.0332277100000000, -0.0354208600000000, 0.0041448500000000 ] - [ -0.0005646700000000, 0.0026416200000000, 0.0002879500000000 ] - [ -0.0051374500000000, -0.0016793000000000, 0.0077440000000000 ] - [ 0.0014289500000000, 0.0019637900000000, -0.0010287000000000 ] - [ 0.0021343800000000, -0.0014204300000000, -0.0083042300000000 ] - [ 0.0000300000000000, 0.0034032300000000, 0.0006179900000000 ] - [ 0.0000598400000000, 0.0015239500000000, -0.0003181500000000 ] - [ -0.0047678900000000, -0.0009376900000000, -0.0026095700000000 ] - [ -0.0005740300000000, -0.0006211300000000, -0.0001994300000000 ] - [ -0.0002305800000000, 0.0008352000000000, 0.0002283600000000 ] - [ -0.0006909800000000, 0.0004931700000000, 0.0002116200000000 ] - [ 0.0005390900000000, -0.0004680300000000, -0.0002353000000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001172900000000, 0.0001826500000000, 0.0004548500000000 ] - [ -0.0000516400000000, -0.0005953700000000, 0.0016626300000000 ] - [ 0.0000345500000000, -0.0000407800000000, -0.0002262200000000 ] - [ -0.0000638000000000, -0.0001962700000000, -0.0002067000000000 ] - [ -0.0001657500000000, 0.0003160500000000, 0.0006460600000000 ] - [ -0.0000378400000000, -0.0001654700000000, 0.0003079500000000 ] - [ -0.0070336700000000, -0.0060729500000000, 0.0005202500000000 ] - [ -0.0002369900000000, 0.0004499800000000, -0.0006855500000000 ] - [ -0.0006393600000000, -0.0000500400000000, -0.0005633000000000 ] - [ -0.0002735200000000, -0.0001774500000000, -0.0002327800000000 ] - [ -0.0009180500000000, -0.0010003000000000, 0.0018875000000000 ] - [ -0.0002492200000000, 0.0000963900000000, 0.0005204400000000 ] - [ 0.0098286600000000, -0.0024158400000000, 0.0025126800000000 ] - [ -0.0002524800000000, 0.0001591700000000, -0.0003890700000000 ] - [ 0.0002408100000000, -0.0000591200000000, 0.0000320100000000 ] - [ 0.0002814700000000, 0.0002716200000000, 0.0002608100000000 ] - [ 0.0001003900000000, 0.0006369600000000, 0.0023790700000000 ] - [ 0.0000377400000000, -0.0003827800000000, 0.0006613600000000 ] - [ 0.0003244600000000, 0.0002878300000000, -0.0001586700000000 ] - [ -0.0001540600000000, 0.0002736500000000, 0.0000624400000000 ] - [ -0.0001052000000000, -0.0000714400000000, 0.0008052500000000 ] - [ 0.0001577500000000, 0.0002191300000000, 0.0004455700000000 ] - [ -0.0004609900000000, -0.0008306000000000, -0.0004173700000000 ] - [ -0.0068220100000000, 0.0020536600000000, -0.0003869900000000 ] - [ -0.0003344000000000, 0.0001106400000000, -0.0007139800000000 ] - [ -0.0002925000000000, -0.0000824700000000, -0.0000902400000000 ] - [ -0.0001227200000000, -0.0002334300000000, 0.0003928000000000 ] - [ -0.0005853100000000, 0.0009340500000000, 0.0015898700000000 ] - [ 0.0075734300000000, 0.0056441800000000, 0.0026643500000000 ] - [ -0.0003073600000000, -0.0003379000000000, -0.0003369800000000 ] - [ -0.0251988400000000, 0.0353482900000000, -0.0479097900000000 ] - [ -0.0000737100000000, 0.0001117600000000, -0.0002482000000000 ] - [ 0.0007266100000000, -0.0004033900000000, 0.0004323000000000 ] - [ 0.0003263100000000, -0.0000772200000000, 0.0001125100000000 ] - [ 0.0000929100000000, -0.0000623600000000, -0.0000036400000000 ] - [ -0.0000283500000000, 0.0001653500000000, 0.0000076700000000 ] - [ -0.0020336300000000, 0.0007169400000000, 0.0007518700000000 ] - [ -0.0000189700000000, 0.0000633500000000, 0.0000195700000000 ] - [ -0.0007693400000000, -0.0020965500000000, 0.0006163900000000 ] - [ -0.0000848000000000, 0.0022148100000000, 0.0008589600000000 ] - [ -0.0001560200000000, 0.0003746700000000, 0.0000716600000000 ] - [ -0.0008106600000000, -0.0008894500000000, 0.0000130400000000 ] - [ -0.0015490700000000, 0.0007300000000000, 0.0027070100000000 ] - [ -0.0000885700000000, -0.0005660700000000, -0.0001408700000000 ] - [ 0.0013851800000000, 0.0017442300000000, 0.0000351500000000 ] - [ 0.0004500900000000, -0.0013011300000000, 0.0001230100000000 ] - [ -0.0000273300000000, 0.0001105200000000, -0.0001479700000000 ] - [ -0.0001217300000000, -0.0000667200000000, -0.0002075400000000 ] - [ -0.0034267200000000, 0.0036908800000000, -0.0025288000000000 ] - [ -0.0003076500000000, -0.0005376200000000, -0.0002529000000000 ] - [ 0.0003842700000000, -0.0010231500000000, 0.0027621600000000 ] - [ 0.0005545700000000, -0.0000014400000000, 0.0009116300000000 ] - [ -0.0001554000000000, 0.0002579700000000, -0.0001081500000000 ] - [ 0.0008323100000000, 0.0003459800000000, -0.0009221300000000 ] - [ 0.0002759600000000, 0.0000724100000000, 0.0005354800000000 ] - [ 0.0002643300000000, -0.0000391600000000, 0.0003787000000000 ] - [ 0.0001158500000000, -0.0001992300000000, 0.0005372800000000 ] - [ 0.0001913500000000, -0.0004193700000000, 0.0005166500000000 ] - [ -0.0001768500000000, 0.0002124800000000, -0.0001757600000000 ] - [ 0.0000381400000000, 0.0001659300000000, -0.0000424000000000 ] - [ -0.0000360900000000, 0.0007389700000000, 0.0014637400000000 ] - [ -0.0001583800000000, -0.0000774900000000, 0.0008145100000000 ] - [ 0.0041921900000000, -0.0083570900000000, 0.0066299600000000 ] - [ 0.0003673300000000, 0.0000396600000000, -0.0003548500000000 ] - [ 0.0015052300000000, -0.0001136000000000, -0.0027018100000000 ] - [ -0.0003695400000000, 0.0000594400000000, -0.0001287400000000 ] - [ 0.0003426900000000, -0.0004043300000000, 0.0007865800000000 ] - [ 0.0005492300000000, -0.0001343100000000, 0.0010183300000000 ] - [ -0.0009501700000000, 0.0000304500000000, -0.0013407300000000 ] - [ -0.0006518100000000, -0.0001960000000000, -0.0001815900000000 ] - [ 0.0005567900000000, 0.0001377800000000, 0.0003247800000000 ] - [ 0.0004868500000000, 0.0001251500000000, 0.0003012400000000 ] - [ -0.0000030100000000, 0.0001351800000000, 0.0005084700000000 ] - [ 0.0000000700000000, 0.0000615300000000, 0.0005115500000000 ] - [ -0.0000775800000000, -0.0000882000000000, -0.0001990700000000 ] - [ -0.0001898500000000, -0.0002133300000000, -0.0000429400000000 ] - [ 0.0004972100000000, -0.0003310900000000, 0.0005543800000000 ] - [ 0.0003692400000000, -0.0000771900000000, 0.0005677100000000 ] - [ 0.0009057500000000, 0.0001573300000000, 0.0005678000000000 ] - [ 0.0000431000000000, -0.0004494100000000, 0.0000247500000000 ] - [ 0.0001738500000000, -0.0000791600000000, 0.0003715600000000 ] - [ 0.0000805900000000, -0.0004093200000000, 0.0003448000000000 ] - [ 0.0002479400000000, -0.0004283900000000, -0.0005119100000000 ] - [ -0.0000330400000000, -0.0003725500000000, -0.0002443700000000 ] - [ -0.0011151100000000, -0.0000835000000000, -0.0013547800000000 ] - [ -0.0003006300000000, 0.0004760700000000, -0.0002492500000000 ] - [ 0.0000800900000000, 0.0003517600000000, -0.0001093000000000 ] - [ 0.0000739800000000, 0.0004608900000000, -0.0001335900000000 ] - [ -0.0002907400000000, -0.0002603000000000, -0.0004112200000000 ] - [ -0.0002658200000000, -0.0001553000000000, -0.0002839600000000 ] - [ 0.0007260700000000, 0.0004074000000000, 0.0006949000000000 ] - [ 0.0004367600000000, 0.0000249200000000, 0.0006737000000000 ] - [ -0.0001926700000000, 0.0000567400000000, -0.0017783900000000 ] - [ -0.0002186700000000, 0.0002597000000000, -0.0004371300000000 ] - [ 0.0002637200000000, -0.0011378200000000, 0.0000500900000000 ] - [ 0.0000279700000000, 0.0023172300000000, 0.0003544400000000 ] - [ -0.0002103600000000, 0.0010461700000000, -0.0023247200000000 ] - [ -0.0000843600000000, 0.0001990900000000, -0.0013286600000000 ] - [ 0.0001923200000000, -0.0005734400000000, 0.0012787700000000 ] - [ 0.0000468200000000, -0.0000392700000000, 0.0004576600000000 ] - [ 0.0001144600000000, 0.0000858300000000, -0.0003704300000000 ] - [ 0.0000869900000000, 0.0000946100000000, -0.0006160000000000 ] - [ -0.0007923500000000, 0.0001471300000000, -0.0001199400000000 ] - [ -0.0001461400000000, 0.0000422200000000, -0.0000447700000000 ] - [ -0.0029834100000000, -0.0009696200000000, -0.0032506200000000 ] - [ 0.0005377600000000, 0.0008393600000000, -0.0004526200000000 ] - [ 0.0008364600000000, 0.0015289400000000, -0.0002906700000000 ] - [ 0.0027274600000000, -0.0042484100000000, -0.0048926500000000 ] - [ 0.0276397000000000, -0.0276816300000000, 0.0290697000000000 ] - [ -0.0003192600000000, 0.0002193600000000, 0.0010002800000000 ] - [ 0.0021367800000000, 0.0007125400000000, 0.0000113700000000 ] - [ 0.0003250600000000, -0.0000675800000000, -0.0001962100000000 ] - [ -0.0014102700000000, 0.0001597900000000, 0.0011341700000000 ] - [ -0.0002120300000000, 0.0001116600000000, 0.0004347800000000 ] - [ 0.0007718500000000, 0.0000919700000000, -0.0026950800000000 ] - [ 0.0005360100000000, 0.0001890000000000, -0.0025358600000000 ] - [ -0.0089531700000000, -0.0046531900000000, 0.0218855100000000 ] - [ 0.0000027100000000, 0.0003276300000000, 0.0014815700000000 ] - [ 0.0018705500000000, -0.0020180500000000, -0.0016010300000000 ] - [ 0.0002387500000000, 0.0012480300000000, -0.0002444600000000 ] - [ 0.0045349600000000, 0.0047271000000000, -0.0085956600000000 ] - [ -0.0000378400000000, -0.0016041000000000, -0.0002224100000000 ] - [ 0.0000056000000000, -0.0010510500000000, -0.0003175400000000 ] - [ -0.0039854300000000, 0.0009509400000000, -0.0026318700000000 ] - [ -0.0000958300000000, -0.0001499000000000, -0.0002461200000000 ] - [ -0.0000682500000000, 0.0003124100000000, -0.0000228300000000 ] - [ -0.0002525500000000, 0.0000715100000000, -0.0010175800000000 ] - [ -0.0000918700000000, -0.0000873300000000, -0.0009366400000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002487500000000, 0.0000220200000000, -0.0005570600000000 ] - [ 0.0001833500000000, 0.0008003600000000, -0.0017616100000000 ] - [ -0.0001658300000000, -0.0001641300000000, 0.0001235200000000 ] - [ -0.0000657200000000, -0.0000059700000000, 0.0001042900000000 ] - [ 0.0002978900000000, -0.0005189500000000, -0.0007505500000000 ] - [ 0.0001664400000000, -0.0000423300000000, -0.0004101800000000 ] - [ 0.0069634800000000, 0.0063411400000000, -0.0005854600000000 ] - [ 0.0001084100000000, -0.0002498800000000, 0.0005848200000000 ] - [ 0.0004104700000000, 0.0002275400000000, 0.0005527500000000 ] - [ 0.0000355600000000, 0.0003495500000000, 0.0002219400000000 ] - [ 0.0011578700000000, 0.0008278700000000, -0.0018937500000000 ] - [ 0.0004873800000000, -0.0002708300000000, -0.0005316800000000 ] - [ -0.0099970700000000, 0.0022063900000000, -0.0024993500000000 ] - [ 0.0000150400000000, -0.0003319900000000, 0.0003776500000000 ] - [ -0.0000076600000000, 0.0002306700000000, -0.0000427000000000 ] - [ -0.0000469100000000, -0.0000974300000000, -0.0002693900000000 ] - [ 0.0002781100000000, -0.0010876100000000, -0.0019797000000000 ] - [ 0.0003426900000000, -0.0000692800000000, -0.0002609000000000 ] - [ -0.0007034600000000, 0.0001630900000000, 0.0005646300000000 ] - [ -0.0002271900000000, 0.0001759900000000, 0.0003402700000000 ] - [ 0.0004771300000000, 0.0005196800000000, -0.0003913200000000 ] - [ 0.0002259100000000, 0.0002282200000000, -0.0000466000000000 ] - [ 0.0000802000000000, 0.0003817800000000, 0.0008215800000000 ] - [ 0.0065015400000000, -0.0025308500000000, 0.0007949100000000 ] - [ -0.0001972400000000, -0.0003074000000000, 0.0006974900000000 ] - [ -0.0002209500000000, -0.0001151800000000, 0.0000828100000000 ] - [ 0.0006442000000000, 0.0004322700000000, -0.0004004500000000 ] - [ 0.0011114700000000, -0.0007363600000000, -0.0015936500000000 ] - [ -0.0080726100000000, -0.0053845300000000, -0.0026718800000000 ] - [ -0.0002052200000000, 0.0005319700000000, 0.0003298100000000 ] - [ 0.0252229600000000, -0.0347259500000000, 0.0475035800000000 ] - [ -0.0002771400000000, 0.0002247700000000, 0.0004291700000000 ] - [ -0.0002066200000000, 0.0002064800000000, -0.0004414500000000 ] - [ 0.0001957600000000, -0.0001236800000000, -0.0001190400000000 ] - [ -0.0001293600000000, 0.0002820800000000, -0.0000072700000000 ] - [ -0.0000065100000000, 0.0000499900000000, -0.0000174500000000 ] - [ 0.0020711600000000, -0.0004817200000000, -0.0007582500000000 ] - [ 0.0000530600000000, 0.0001497100000000, -0.0000293300000000 ] - [ 0.0007297000000000, 0.0018780600000000, -0.0006213300000000 ] - [ 0.0000506700000000, -0.0024418200000000, -0.0008703000000000 ] - [ 0.0004192900000000, -0.0004509900000000, -0.0004893100000000 ] - [ 0.0010743900000000, 0.0008125100000000, -0.0004309600000000 ] - [ 0.0013058500000000, -0.0006541400000000, -0.0031503700000000 ] - [ -0.0001674300000000, 0.0006327700000000, -0.0002696900000000 ] - [ -0.0011247800000000, -0.0016762200000000, -0.0004490500000000 ] - [ -0.0001887700000000, 0.0013618000000000, -0.0005385600000000 ] - [ -0.0002343900000000, -0.0001789600000000, -0.0002654900000000 ] - [ -0.0001321900000000, 0.0000001800000000, -0.0002006800000000 ] - [ 0.0029457500000000, -0.0037624500000000, 0.0029441000000000 ] - [ -0.0001999100000000, 0.0004935700000000, 0.0007161300000000 ] - [ 0.0001167100000000, 0.0010995500000000, -0.0023262000000000 ] - [ -0.0000521300000000, 0.0000820800000000, -0.0004745400000000 ] - [ -0.0003519200000000, -0.0002146900000000, 0.0005723000000000 ] - [ -0.0013371100000000, -0.0002732800000000, 0.0013693600000000 ] - [ 0.0002298100000000, -0.0001329900000000, -0.0000818400000000 ] - [ 0.0002396600000000, -0.0000408900000000, 0.0000617500000000 ] - [ -0.0002731200000000, -0.0002639700000000, -0.0002737200000000 ] - [ -0.0003494800000000, -0.0000348300000000, -0.0002765000000000 ] - [ 0.0003330800000000, 0.0002449800000000, 0.0004248500000000 ] - [ 0.0001199800000000, 0.0002814900000000, 0.0002652000000000 ] - [ -0.0001213300000000, -0.0002773900000000, -0.0012113500000000 ] - [ 0.0000059700000000, 0.0005373300000000, -0.0005506700000000 ] - [ -0.0041081700000000, 0.0080114600000000, -0.0064590700000000 ] - [ -0.0002097400000000, -0.0004893400000000, 0.0005790500000000 ] - [ -0.0024501900000000, 0.0004508300000000, 0.0029081900000000 ] - [ -0.0005792300000000, 0.0002639100000000, 0.0003293600000000 ] - [ 0.0005719900000000, 0.0000542500000000, -0.0005906300000000 ] - [ 0.0003576800000000, -0.0002190300000000, -0.0008215400000000 ] - [ -0.0000038400000000, -0.0003880600000000, 0.0015406100000000 ] - [ -0.0002966900000000, -0.0001308000000000, 0.0003819500000000 ] - [ 0.0003527700000000, 0.0002154400000000, -0.0001286200000000 ] - [ 0.0004430600000000, 0.0002131900000000, -0.0001032400000000 ] - [ 0.0003861600000000, 0.0002274000000000, -0.0003363900000000 ] - [ 0.0003667100000000, 0.0002917000000000, -0.0003352400000000 ] - [ -0.0002909500000000, -0.0002688200000000, 0.0003748200000000 ] - [ -0.0001614300000000, -0.0001246600000000, 0.0002244200000000 ] - [ -0.0001188300000000, -0.0000320200000000, -0.0003828500000000 ] - [ 0.0000165800000000, -0.0002876400000000, -0.0003950600000000 ] - [ -0.0008707900000000, -0.0003710600000000, -0.0005789900000000 ] - [ -0.0000105000000000, 0.0002323100000000, -0.0000348800000000 ] - [ 0.0003477500000000, -0.0003123500000000, -0.0007680500000000 ] - [ 0.0004485400000000, 0.0000141800000000, -0.0007408100000000 ] - [ -0.0005993700000000, -0.0003821400000000, 0.0001462400000000 ] - [ -0.0003184600000000, -0.0004357300000000, -0.0001194400000000 ] - [ 0.0007664100000000, 0.0008920600000000, 0.0009931400000000 ] - [ -0.0000512900000000, 0.0003338000000000, -0.0001145200000000 ] - [ 0.0002697900000000, 0.0004589300000000, -0.0002521700000000 ] - [ 0.0002779500000000, 0.0003508100000000, -0.0002304900000000 ] - [ -0.0002353500000000, -0.0001355700000000, 0.0000150900000000 ] - [ -0.0002601000000000, -0.0002391300000000, -0.0001125900000000 ] - [ -0.0001982000000000, -0.0000126100000000, -0.0010886500000000 ] - [ 0.0000862700000000, 0.0003674000000000, -0.0010639700000000 ] - [ -0.0003367700000000, 0.0003353300000000, 0.0013792900000000 ] - [ -0.0003071500000000, 0.0001348800000000, 0.0000404700000000 ] - [ 0.0000914000000000, 0.0003308600000000, -0.0004115200000000 ] - [ 0.0003284300000000, -0.0031598600000000, -0.0007005300000000 ] - [ 0.0003929500000000, -0.0009888700000000, 0.0025157000000000 ] - [ 0.0002669800000000, -0.0001380700000000, 0.0015250100000000 ] - [ -0.0003665800000000, 0.0006255200000000, -0.0010837800000000 ] - [ -0.0002237200000000, 0.0001020500000000, -0.0002602300000000 ] - [ 0.0000626400000000, -0.0001474200000000, 0.0005653500000000 ] - [ 0.0000875600000000, -0.0001543200000000, 0.0008102400000000 ] - [ 0.0005253400000000, 0.0000226800000000, -0.0000253600000000 ] - [ -0.0001199400000000, 0.0001259500000000, -0.0000936300000000 ] - [ 0.0032632700000000, 0.0008026400000000, 0.0031173600000000 ] - [ -0.0002745800000000, -0.0010090000000000, 0.0003131500000000 ] - [ -0.0010985000000000, -0.0016912600000000, 0.0001447700000000 ] - [ -0.0030387300000000, 0.0041069800000000, 0.0047426700000000 ] - [ -0.0277869400000000, 0.0274807600000000, -0.0283803600000000 ] - [ 0.0001415000000000, -0.0002793200000000, -0.0008048700000000 ] - [ -0.0018680900000000, -0.0005469600000000, -0.0001527300000000 ] - [ -0.0000635200000000, 0.0002437700000000, 0.0000567200000000 ] - [ 0.0011099400000000, -0.0002886600000000, -0.0011940700000000 ] - [ -0.0000729500000000, -0.0002379100000000, -0.0004939800000000 ] - [ -0.0004867300000000, 0.0000399900000000, 0.0026366400000000 ] - [ -0.0002540900000000, -0.0000611100000000, 0.0024774200000000 ] - [ 0.0081881100000000, 0.0045727800000000, -0.0218292100000000 ] - [ -0.0002870500000000, -0.0001964300000000, -0.0015392500000000 ] - [ -0.0019363400000000, 0.0021632600000000, 0.0014738700000000 ] - [ -0.0002893400000000, -0.0010837500000000, 0.0000789400000000 ] - [ -0.0045209400000000, -0.0049289300000000, 0.0084218500000000 ] - [ 0.0000895800000000, 0.0014510700000000, 0.0000533200000000 ] - [ -0.0000579900000000, 0.0008935700000000, 0.0001519800000000 ] - [ 0.0039382500000000, -0.0011145700000000, 0.0024749100000000 ] - [ 0.0001511300000000, 0.0003088500000000, 0.0000764000000000 ] - [ 0.0001202100000000, -0.0001524500000000, -0.0001449000000000 ] - [ 0.0005382000000000, -0.0001999000000000, 0.0009617400000000 ] - [ 0.0003782800000000, -0.0000400600000000, 0.0008776600000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006528100000000, 0.0000233300000000, 0.0002031300000000 ] - [ 0.0001062400000000, 0.0000615800000000, -0.0001153200000000 ] - [ -0.0010491700000000, -0.0013929900000000, -0.0004819000000000 ] - [ -0.0023964300000000, 0.0050508600000000, 0.0017542600000000 ] - [ 0.0002434400000000, 0.0000134400000000, -0.0016905500000000 ] - [ 0.0000188700000000, -0.0001255500000000, -0.0000437700000000 ] - [ 0.0006437600000000, 0.0003980600000000, -0.0000543400000000 ] - [ 0.0005408200000000, -0.0002078700000000, 0.0003073600000000 ] - [ -0.0000170400000000, 0.0001511600000000, 0.0012175700000000 ] - [ -0.0005252800000000, -0.0000236200000000, -0.0002497800000000 ] - [ 0.0014037400000000, 0.0003647800000000, -0.0002184600000000 ] - [ 0.0004373500000000, -0.0003749900000000, 0.0000666500000000 ] - [ 0.0001419900000000, -0.0001112200000000, 0.0001200000000000 ] - [ 0.0004864200000000, -0.0000660400000000, -0.0000579600000000 ] - [ 0.0002043700000000, 0.0071921500000000, -0.0039672100000000 ] - [ -0.0001647900000000, -0.0005887300000000, -0.0002298200000000 ] - [ 0.0008113600000000, 0.0001717800000000, 0.0004323300000000 ] - [ 0.0003626900000000, -0.0005551600000000, -0.0000406700000000 ] - [ 0.0031397300000000, -0.0099406300000000, 0.0093532600000000 ] - [ -0.0004856700000000, 0.0003613600000000, 0.0000832400000000 ] - [ 0.0000807600000000, -0.0001541700000000, 0.0003265400000000 ] - [ -0.0002101700000000, 0.0006212600000000, -0.0009464700000000 ] - [ 0.0008802300000000, -0.0003857500000000, 0.0002542600000000 ] - [ 0.0000338600000000, -0.0002939700000000, 0.0002425700000000 ] - [ -0.0005423900000000, -0.0004963900000000, 0.0002460600000000 ] - [ -0.0007042100000000, 0.0002806800000000, -0.0003003000000000 ] - [ 0.0017331700000000, 0.0002107700000000, 0.0002186300000000 ] - [ 0.0004051300000000, -0.0000168700000000, -0.0000950000000000 ] - [ 0.0001792100000000, 0.0003800100000000, 0.0002637200000000 ] - [ 0.0002145700000000, -0.0002222500000000, -0.0002446800000000 ] - [ 0.0009257600000000, 0.0000097300000000, 0.0001980100000000 ] - [ 0.0006669100000000, 0.0000710500000000, 0.0000773500000000 ] - [ 0.0066994900000000, -0.0033432600000000, -0.0079347800000000 ] - [ -0.0000626000000000, -0.0002947800000000, 0.0001739700000000 ] - [ -0.1393628500000000, 0.0866200400000000, 0.0202149700000000 ] - [ -0.0003290400000000, -0.0005557000000000, -0.0000590000000000 ] - [ 0.0001445900000000, -0.0004457400000000, 0.0000859400000000 ] - [ 0.0001421100000000, 0.0005820400000000, -0.0001761200000000 ] - [ 0.0009567600000000, 0.0005877200000000, 0.0000273400000000 ] - [ 0.0001868900000000, -0.0003491900000000, 0.0000188700000000 ] - [ 0.0002632600000000, 0.0006671300000000, -0.0003543000000000 ] - [ 0.0002725700000000, -0.0006249900000000, -0.0001645100000000 ] - [ 0.0003953300000000, -0.0002282300000000, -0.0002326100000000 ] - [ 0.0005019600000000, -0.0002450900000000, -0.0000650200000000 ] - [ 0.0005340500000000, 0.0008187000000000, -0.0003400200000000 ] - [ 0.0000244300000000, -0.0005634400000000, -0.0002963000000000 ] - [ -0.0043530700000000, -0.0015727100000000, -0.0005490900000000 ] - [ -0.0019608800000000, -0.0001770300000000, -0.0002514900000000 ] - [ 0.0003345500000000, 0.0000347000000000, 0.0004024900000000 ] - [ -0.0000062200000000, -0.0001627700000000, 0.0000645300000000 ] - [ 0.0017246500000000, -0.0000019700000000, 0.0004727400000000 ] - [ 0.0006118000000000, -0.0000351600000000, 0.0004277300000000 ] - [ 0.0001608100000000, -0.0000800900000000, -0.0016674900000000 ] - [ -0.0005914400000000, -0.0000897800000000, 0.0004149200000000 ] - [ -0.0002228400000000, -0.0004445800000000, -0.0001446300000000 ] - [ 0.0001367200000000, -0.0049230200000000, 0.0090403400000000 ] - [ -0.0004823800000000, 0.0003702900000000, 0.0009270800000000 ] - [ -0.0003803800000000, -0.0002844600000000, -0.0000423300000000 ] - [ -0.0007667200000000, 0.0004326300000000, 0.0003772900000000 ] - [ 0.0038308500000000, -0.0113844600000000, -0.0065195300000000 ] - [ 0.0006282800000000, 0.0002840400000000, 0.0001343600000000 ] - [ 0.0002004400000000, 0.0002112100000000, 0.0002212700000000 ] - [ 0.0013643300000000, -0.0001824400000000, -0.0000260300000000 ] - [ 0.0005236400000000, -0.0001968000000000, 0.0000849500000000 ] - [ 0.0008897200000000, -0.0009661800000000, 0.0007535700000000 ] - [ -0.0002021400000000, 0.0003821600000000, 0.0000991400000000 ] - [ 0.0021819500000000, 0.0000943000000000, 0.0003323700000000 ] - [ 0.0009082900000000, -0.0002608100000000, 0.0001448500000000 ] - [ -0.0004848300000000, 0.0004633400000000, -0.0001214100000000 ] - [ 0.0013184000000000, -0.0010945800000000, -0.0012374700000000 ] - [ -0.0050403900000000, 0.0012752700000000, -0.0009326200000000 ] - [ -0.0000442400000000, -0.0001355300000000, 0.0000113800000000 ] - [ 0.0015346700000000, 0.0007989300000000, 0.0021327200000000 ] - [ -0.0000633900000000, -0.0002444800000000, 0.0001210200000000 ] - [ -0.0024870100000000, -0.0000213600000000, 0.0000243800000000 ] - [ -0.0027319800000000, -0.0008530100000000, -0.0006663700000000 ] - [ 0.0020450800000000, 0.0001313400000000, -0.0007979900000000 ] - [ 0.0005054900000000, -0.0004652700000000, 0.0000615800000000 ] - [ -0.0000977200000000, 0.0003403300000000, 0.0000758500000000 ] - [ 0.0003051000000000, -0.0007120100000000, -0.0001691200000000 ] - [ -0.0004621200000000, -0.0010983100000000, -0.0010749500000000 ] - [ 0.0002199400000000, 0.0002000000000000, -0.0002211100000000 ] - [ -0.0003246500000000, -0.0015474000000000, -0.0004319900000000 ] - [ -0.0009145800000000, 0.0006402500000000, -0.0006304900000000 ] - [ -0.0010265100000000, 0.0016270900000000, -0.0001250100000000 ] - [ -0.0008444800000000, -0.0002509000000000, -0.0003797800000000 ] - [ 0.0012046000000000, -0.0000570400000000, 0.0001195100000000 ] - [ 0.0004399700000000, 0.0006899900000000, -0.0001660000000000 ] - [ 0.0005051900000000, 0.0000525000000000, 0.0001602000000000 ] - [ 0.0008906700000000, -0.0001087100000000, -0.0001757300000000 ] - [ -0.0013259100000000, -0.0002330500000000, 0.0010117100000000 ] - [ 0.0002125300000000, 0.0005918100000000, -0.0002033800000000 ] - [ -0.0005938400000000, 0.0001867700000000, -0.0001734700000000 ] - [ -0.0006657400000000, 0.0002373200000000, -0.0002129700000000 ] - [ -0.0003516100000000, -0.0006192200000000, -0.0001220900000000 ] - [ -0.0000807400000000, -0.0002311900000000, -0.0001810400000000 ] - [ -0.0026610000000000, 0.0000544900000000, 0.0004688900000000 ] - [ -0.0005229600000000, 0.0002119500000000, -0.0000350800000000 ] - [ 0.0011714500000000, -0.0004642100000000, 0.0003116000000000 ] - [ 0.0012170600000000, 0.0030068400000000, 0.0070685700000000 ] - [ 0.0029330600000000, -0.0041932500000000, -0.0073639400000000 ] - [ 0.0007222700000000, 0.0004392100000000, 0.0003626900000000 ] - [ 0.1077894600000000, -0.0899317600000000, -0.0158091400000000 ] - [ 0.0008209200000000, 0.0010519600000000, 0.0000692800000000 ] - [ -0.0003747500000000, -0.0010476200000000, -0.0003585700000000 ] - [ -0.0002463500000000, 0.0008013000000000, 0.0003529100000000 ] - [ -0.0023532400000000, -0.0003070600000000, -0.0002004000000000 ] - [ -0.0005140800000000, 0.0002357100000000, -0.0000728400000000 ] - [ -0.0023933700000000, 0.0001005200000000, -0.0001182700000000 ] - [ -0.0009932400000000, 0.0000207200000000, 0.0001864800000000 ] - [ 0.0002699300000000, 0.0009756600000000, -0.0003764300000000 ] - [ 0.0002869300000000, -0.0009011800000000, 0.0005803400000000 ] - [ 0.0038804100000000, 0.0051789600000000, -0.0053678000000000 ] - [ 0.0012265200000000, -0.0011587100000000, -0.0007560000000000 ] - [ -0.0035594000000000, -0.0003760900000000, -0.0007158800000000 ] - [ -0.0001203800000000, 0.0006253200000000, 0.0000885600000000 ] - [ -0.0013792200000000, -0.0003450800000000, -0.0001978300000000 ] - [ -0.0025426700000000, 0.0003457900000000, 0.0001741000000000 ] - [ -0.0017419200000000, -0.0000335000000000, 0.0001243000000000 ] - [ -0.0001496600000000, 0.0001927300000000, 0.0001419100000000 ] - [ -0.0027530600000000, -0.0006815900000000, -0.0000439600000000 ] - [ -0.0010124500000000, 0.0003399300000000, -0.0004470500000000 ] - [ -0.0011627800000000, -0.0000900600000000, 0.0004497100000000 ] - [ 0.0002503500000000, 0.0000380800000000, -0.0001496200000000 ] - [ 0.0018315700000000, 0.0021692200000000, 0.0002896000000000 ] - [ 0.0244506100000000, 0.0228408400000000, -0.0056382500000000 ] - [ 0.0025998500000000, -0.0035185600000000, 0.0089936800000000 ] - [ 0.0002733300000000, 0.0007784000000000, 0.0000689100000000 ]- atom: 35 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005241300000000, 0.0001846500000000, -0.0002954600000000 ] - [ 0.0000187200000000, 0.0001406700000000, 0.0000240700000000 ] - [ 0.0009191700000000, 0.0011756100000000, 0.0003884700000000 ] - [ 0.0022286400000000, -0.0052890500000000, -0.0018882400000000 ] - [ -0.0001200500000000, -0.0002139100000000, 0.0015842100000000 ] - [ 0.0001061000000000, -0.0000823200000000, -0.0000499300000000 ] - [ -0.0007688600000000, -0.0001947100000000, -0.0000375100000000 ] - [ -0.0006664300000000, 0.0004107800000000, -0.0003977600000000 ] - [ -0.0002175300000000, 0.0000368300000000, -0.0012115800000000 ] - [ 0.0002843200000000, 0.0002004400000000, 0.0002354700000000 ] - [ -0.0011617200000000, -0.0005464000000000, 0.0002072900000000 ] - [ -0.0001989800000000, 0.0001910300000000, -0.0000761000000000 ] - [ -0.0003791800000000, -0.0000735000000000, -0.0001275000000000 ] - [ -0.0007220600000000, -0.0001147700000000, 0.0000474300000000 ] - [ 0.0000065900000000, -0.0069073700000000, 0.0039381500000000 ] - [ 0.0004089800000000, 0.0007595200000000, 0.0002139400000000 ] - [ -0.0004302700000000, -0.0006216700000000, -0.0000191800000000 ] - [ 0.0000215800000000, 0.0001005700000000, 0.0004452900000000 ] - [ -0.0034143100000000, 0.0102363100000000, -0.0087756400000000 ] - [ 0.0001022400000000, 0.0000745000000000, 0.0003320700000000 ] - [ 0.0002998900000000, 0.0006040200000000, 0.0000826200000000 ] - [ 0.0005828400000000, -0.0001668800000000, 0.0013672000000000 ] - [ -0.0012523600000000, -0.0000612200000000, 0.0001690600000000 ] - [ -0.0004160100000000, -0.0001584400000000, 0.0001674100000000 ] - [ 0.0000204200000000, 0.0002887700000000, -0.0002445900000000 ] - [ 0.0001683600000000, -0.0004807300000000, 0.0002775700000000 ] - [ -0.0011934500000000, -0.0000028700000000, -0.0002308200000000 ] - [ 0.0001207900000000, 0.0002194000000000, 0.0000888300000000 ] - [ -0.0007073600000000, -0.0001727000000000, -0.0002672800000000 ] - [ -0.0007341000000000, 0.0004254100000000, 0.0002435500000000 ] - [ -0.0012948700000000, 0.0003475500000000, -0.0000186900000000 ] - [ -0.0010509000000000, 0.0002911300000000, 0.0001001200000000 ] - [ -0.0059956000000000, 0.0030723200000000, 0.0077582600000000 ] - [ 0.0005871000000000, 0.0000817800000000, -0.0001735600000000 ] - [ 0.1369554100000000, -0.0812764300000000, -0.0196283700000000 ] - [ 0.0003057500000000, 0.0007538100000000, 0.0000571300000000 ] - [ -0.0001185900000000, 0.0006508900000000, -0.0000876400000000 ] - [ -0.0001172100000000, -0.0003651900000000, 0.0001721700000000 ] - [ -0.0009898300000000, -0.0008017700000000, -0.0000255300000000 ] - [ -0.0002120800000000, 0.0001324500000000, -0.0000207100000000 ] - [ 0.0000343300000000, -0.0007211100000000, -0.0001060700000000 ] - [ 0.0000258000000000, 0.0005588500000000, -0.0002936700000000 ] - [ -0.0006902400000000, 0.0002877500000000, -0.0002267300000000 ] - [ -0.0008048400000000, 0.0003191400000000, -0.0003968900000000 ] - [ -0.0002313700000000, -0.0007487500000000, -0.0001201200000000 ] - [ 0.0002703800000000, 0.0006145200000000, -0.0001608600000000 ] - [ 0.0040085900000000, 0.0014139900000000, 0.0000451100000000 ] - [ 0.0016723700000000, 0.0000823100000000, -0.0001882600000000 ] - [ -0.0008234800000000, -0.0000621600000000, 0.0000512400000000 ] - [ -0.0004862200000000, 0.0001251500000000, 0.0003805100000000 ] - [ -0.0012257100000000, 0.0000266100000000, -0.0000201100000000 ] - [ -0.0001179100000000, 0.0000528600000000, 0.0000323600000000 ] - [ -0.0006476500000000, 0.0001120600000000, 0.0021137700000000 ] - [ 0.0000959800000000, 0.0001011500000000, 0.0000496400000000 ] - [ 0.0007060500000000, 0.0004008100000000, 0.0005812700000000 ] - [ 0.0003784100000000, 0.0049227000000000, -0.0086113200000000 ] - [ 0.0003497200000000, -0.0008217200000000, -0.0006853300000000 ] - [ 0.0002430500000000, -0.0001758800000000, 0.0002875900000000 ] - [ 0.0008975000000000, 0.0000137100000000, -0.0001495200000000 ] - [ -0.0037436100000000, 0.0119291800000000, 0.0067920300000000 ] - [ -0.0007596100000000, 0.0001704300000000, 0.0000961100000000 ] - [ -0.0003385700000000, 0.0002372200000000, 0.0000030100000000 ] - [ -0.0012191100000000, -0.0002735400000000, 0.0002668400000000 ] - [ -0.0003871200000000, -0.0002639600000000, 0.0001654900000000 ] - [ -0.0017982200000000, 0.0012737100000000, -0.0005521600000000 ] - [ -0.0007354800000000, -0.0000678500000000, 0.0000927300000000 ] - [ -0.0012495000000000, -0.0004017300000000, -0.0001357400000000 ] - [ 0.0000293700000000, -0.0000508800000000, 0.0000529700000000 ] - [ -0.0004573400000000, -0.0007700400000000, 0.0003210500000000 ] - [ -0.0022400500000000, 0.0007757400000000, 0.0014346700000000 ] - [ 0.0059358600000000, -0.0009436500000000, 0.0011629900000000 ] - [ 0.0009586800000000, 0.0004492000000000, 0.0001841100000000 ] - [ -0.0011628300000000, -0.0004376600000000, -0.0019633300000000 ] - [ 0.0004433500000000, 0.0006033600000000, 0.0000558800000000 ] - [ 0.0021120700000000, -0.0003283800000000, 0.0001610700000000 ] - [ 0.0023656400000000, 0.0004861600000000, 0.0008410000000000 ] - [ -0.0016746400000000, -0.0004674900000000, 0.0009767600000000 ] - [ -0.0001391300000000, 0.0001115200000000, 0.0001198400000000 ] - [ 0.0001245400000000, -0.0005513700000000, -0.0000758600000000 ] - [ -0.0002825700000000, 0.0005026300000000, 0.0001652700000000 ] - [ 0.0009925600000000, 0.0006940700000000, 0.0006713000000000 ] - [ 0.0003140200000000, -0.0005853500000000, -0.0001762100000000 ] - [ -0.0000197600000000, 0.0007434600000000, 0.0000798400000000 ] - [ 0.0005625400000000, -0.0014387100000000, 0.0002773800000000 ] - [ 0.0006732200000000, -0.0008134300000000, -0.0002291300000000 ] - [ 0.0005025300000000, 0.0010582900000000, 0.0000236900000000 ] - [ -0.0008560600000000, 0.0008556400000000, -0.0004713000000000 ] - [ -0.0000931400000000, 0.0001197600000000, -0.0001868500000000 ] - [ -0.0010311900000000, -0.0004442600000000, -0.0005495100000000 ] - [ -0.0014188200000000, -0.0002769200000000, -0.0002226000000000 ] - [ 0.0018570200000000, 0.0006200600000000, -0.0014084800000000 ] - [ 0.0003186600000000, -0.0001993500000000, -0.0001921600000000 ] - [ 0.0000622100000000, 0.0002030300000000, -0.0002210700000000 ] - [ 0.0001343800000000, 0.0001517800000000, -0.0001807500000000 ] - [ 0.0006985000000000, -0.0001874200000000, -0.0002338300000000 ] - [ 0.0004268600000000, -0.0005686800000000, -0.0001717900000000 ] - [ 0.0028340100000000, 0.0000134600000000, -0.0002711600000000 ] - [ 0.0007002800000000, -0.0001326700000000, 0.0002317600000000 ] - [ -0.0013453600000000, 0.0005459500000000, -0.0001196700000000 ] - [ -0.0014127000000000, -0.0029189900000000, -0.0068550900000000 ] - [ -0.0027763100000000, 0.0040796500000000, 0.0075310100000000 ] - [ -0.0005436700000000, -0.0005163200000000, -0.0001648300000000 ] - [ -0.1054688000000000, 0.0856811300000000, 0.0150530900000000 ] - [ -0.0010974500000000, -0.0008557900000000, -0.0002105700000000 ] - [ 0.0006454500000000, 0.0008661900000000, 0.0002246600000000 ] - [ 0.0005177100000000, -0.0009722700000000, -0.0004834600000000 ] - [ 0.0020728900000000, 0.0001257700000000, 0.0000632000000000 ] - [ 0.0002408000000000, -0.0004065400000000, -0.0000601600000000 ] - [ 0.0022017500000000, -0.0001767400000000, 0.0003052500000000 ] - [ 0.0008229800000000, -0.0000914600000000, 0.0000032900000000 ] - [ 0.0000000100000000, -0.0007916500000000, 0.0002412100000000 ] - [ 0.0000047400000000, 0.0010690400000000, -0.0007146900000000 ] - [ -0.0041450900000000, -0.0052719000000000, 0.0052726300000000 ] - [ -0.0015003800000000, 0.0010785300000000, 0.0007372700000000 ] - [ 0.0038335400000000, 0.0004960900000000, 0.0006627400000000 ] - [ 0.0004019400000000, -0.0004920900000000, -0.0001446700000000 ] - [ 0.0010965700000000, 0.0004746300000000, 0.0001379700000000 ] - [ 0.0022585400000000, -0.0002197800000000, -0.0002328100000000 ] - [ 0.0016768000000000, 0.0001796700000000, -0.0002903300000000 ] - [ 0.0000992900000000, -0.0000299800000000, -0.0002994200000000 ] - [ 0.0027979800000000, 0.0005259800000000, -0.0001172400000000 ] - [ 0.0010686800000000, -0.0004920800000000, 0.0002804600000000 ] - [ 0.0010973200000000, -0.0000676000000000, -0.0006134400000000 ] - [ -0.0003036800000000, -0.0001879100000000, -0.0000170300000000 ] - [ -0.0017706500000000, -0.0019879200000000, -0.0004498100000000 ] - [ -0.0247584300000000, -0.0231963300000000, 0.0055522600000000 ] - [ -0.0022676600000000, 0.0032954000000000, -0.0090099600000000 ] - [ 0.0000078200000000, -0.0008885600000000, -0.0001226000000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005531800000000, -0.0006491400000000, 0.0000731300000000 ] - [ 0.0003284700000000, 0.0005331100000000, -0.0000772900000000 ] - [ -0.0005408900000000, 0.0028957700000000, -0.0017107800000000 ] - [ 0.0070250400000000, 0.0132048600000000, 0.0117743900000000 ] - [ -0.0003999400000000, -0.0014188900000000, 0.0006764800000000 ] - [ 0.0000284800000000, 0.0009800800000000, 0.0003218200000000 ] - [ -0.0000960300000000, -0.0003661600000000, 0.0002472800000000 ] - [ -0.0006023200000000, 0.0007196200000000, -0.0006907300000000 ] - [ -0.0013982100000000, -0.0010559100000000, -0.0030674400000000 ] - [ 0.0007873000000000, 0.0014236700000000, 0.0011473300000000 ] - [ -0.0000288700000000, -0.0008970800000000, 0.0004472600000000 ] - [ 0.0000275400000000, 0.0006909000000000, -0.0003616200000000 ] - [ -0.0000150800000000, 0.0003902100000000, -0.0004114700000000 ] - [ -0.0005895100000000, -0.0005722000000000, 0.0003622500000000 ] - [ 0.0107353200000000, -0.0014047100000000, -0.0096319000000000 ] - [ -0.0024449500000000, 0.0048047100000000, 0.0027181000000000 ] - [ 0.0000060300000000, -0.0008861900000000, -0.0000101200000000 ] - [ 0.0001750000000000, 0.0005255600000000, 0.0006644500000000 ] - [ -0.0117102400000000, 0.0091425700000000, -0.0123951800000000 ] - [ 0.0004584500000000, 0.0036723400000000, -0.0007514200000000 ] - [ -0.0002391500000000, 0.0010742300000000, 0.0005573400000000 ] - [ 0.0011330900000000, -0.0011416000000000, -0.0014687700000000 ] - [ -0.0012076700000000, -0.0008445400000000, -0.0002202600000000 ] - [ 0.0001864400000000, 0.0003209400000000, 0.0005354700000000 ] - [ -0.0008773100000000, 0.0008561700000000, -0.0013235700000000 ] - [ 0.0012282400000000, -0.0007479200000000, 0.0024657300000000 ] - [ -0.0006670000000000, -0.0008891600000000, -0.0003071700000000 ] - [ 0.0005807700000000, 0.0007484100000000, 0.0002459200000000 ] - [ -0.0003801100000000, -0.0005327200000000, -0.0006284900000000 ] - [ -0.0006254500000000, 0.0007971600000000, 0.0006979300000000 ] - [ -0.0012229800000000, 0.0003725400000000, -0.0000889700000000 ] - [ 0.0002813400000000, 0.0001922300000000, 0.0001452100000000 ] - [ -0.0077456100000000, -0.0042878200000000, 0.0083682600000000 ] - [ 0.0007218000000000, 0.0027259000000000, -0.0013575500000000 ] - [ 0.0807380700000000, -0.3152657900000000, 0.0088982500000000 ] - [ -0.0006698100000000, 0.0044899000000000, -0.0002513500000000 ] - [ -0.0004521800000000, 0.0004394000000000, -0.0004110800000000 ] - [ 0.0005713700000000, 0.0004348300000000, 0.0002997700000000 ] - [ -0.0007267600000000, -0.0015810200000000, 0.0000081000000000 ] - [ 0.0002167400000000, 0.0010286900000000, -0.0000352800000000 ] - [ 0.0007867500000000, -0.0025465300000000, -0.0004712800000000 ] - [ -0.0003635900000000, 0.0018321100000000, -0.0001511700000000 ] - [ -0.0004209300000000, 0.0004350100000000, 0.0000223800000000 ] - [ -0.0002637300000000, -0.0000054100000000, -0.0004608600000000 ] - [ -0.0004805700000000, -0.0019955400000000, -0.0002771600000000 ] - [ 0.0005635300000000, 0.0018334300000000, -0.0001071200000000 ] - [ -0.0021564600000000, 0.0333215400000000, 0.0050410900000000 ] - [ 0.0009443000000000, 0.0079009500000000, -0.0019642400000000 ] - [ -0.0009839700000000, -0.0008475200000000, -0.0005325100000000 ] - [ -0.0000615700000000, 0.0010008300000000, 0.0007434000000000 ] - [ -0.0004250000000000, -0.0006440700000000, 0.0006274200000000 ] - [ 0.0002340300000000, 0.0006537100000000, -0.0001199700000000 ] - [ -0.0014387500000000, -0.0012723000000000, 0.0028041900000000 ] - [ 0.0007399200000000, 0.0012997700000000, -0.0012346200000000 ] - [ 0.0022237000000000, 0.0043872900000000, 0.0034240100000000 ] - [ -0.0039949100000000, 0.0017185300000000, -0.0116946900000000 ] - [ -0.0004042600000000, -0.0018716200000000, -0.0012737300000000 ] - [ 0.0003561400000000, 0.0003862600000000, 0.0007426900000000 ] - [ 0.0022077400000000, 0.0019662300000000, -0.0019989100000000 ] - [ -0.0059797200000000, 0.0110054600000000, 0.0084181200000000 ] - [ -0.0004112800000000, -0.0005030000000000, -0.0003484900000000 ] - [ -0.0001481400000000, 0.0007787000000000, 0.0004039100000000 ] - [ -0.0014904600000000, -0.0005972700000000, 0.0007122600000000 ] - [ 0.0006015900000000, 0.0003387500000000, -0.0003531800000000 ] - [ -0.0029997300000000, 0.0015358600000000, -0.0010237800000000 ] - [ 0.0030238400000000, 0.0011898300000000, 0.0009184900000000 ] - [ -0.0000062200000000, -0.0008165700000000, 0.0000306000000000 ] - [ 0.0003828500000000, 0.0003394400000000, 0.0001206700000000 ] - [ 0.0014859800000000, -0.0001818200000000, -0.0007164700000000 ] - [ -0.0037278100000000, 0.0009483200000000, 0.0021561100000000 ] - [ 0.0018395300000000, -0.0054636300000000, 0.0030545800000000 ] - [ 0.0002996100000000, 0.0020424800000000, 0.0002933600000000 ] - [ -0.0001062300000000, -0.0025302100000000, 0.0006923400000000 ] - [ 0.0009953400000000, 0.0017882300000000, 0.0000427200000000 ] - [ 0.0014370300000000, 0.0014526300000000, -0.0022388300000000 ] - [ -0.0001668200000000, 0.0019952800000000, 0.0020812400000000 ] - [ 0.0011670300000000, -0.0027808400000000, -0.0001764100000000 ] - [ -0.0007530100000000, 0.0009280700000000, 0.0004239400000000 ] - [ 0.0004673600000000, -0.0007929000000000, -0.0002883500000000 ] - [ -0.0005898600000000, 0.0007626900000000, 0.0003055400000000 ] - [ 0.0002245100000000, 0.0027625600000000, -0.0000223000000000 ] - [ 0.0004645300000000, -0.0016609900000000, -0.0001144500000000 ] - [ -0.0022292800000000, -0.0007694300000000, -0.0011042300000000 ] - [ 0.0014579000000000, -0.0018769500000000, 0.0004839900000000 ] - [ 0.0011302900000000, -0.0003326200000000, -0.0006193900000000 ] - [ -0.0015044900000000, -0.0004332500000000, -0.0000231200000000 ] - [ -0.0003162000000000, 0.0022965200000000, 0.0003861900000000 ] - [ 0.0001583700000000, -0.0008935500000000, -0.0003397000000000 ] - [ -0.0000751000000000, -0.0001015700000000, -0.0022570700000000 ] - [ -0.0008454600000000, -0.0017890900000000, 0.0007849100000000 ] - [ 0.0001150300000000, 0.0016823000000000, -0.0000069400000000 ] - [ 0.0002170000000000, -0.0009460400000000, -0.0001633700000000 ] - [ -0.0001724800000000, 0.0002021900000000, -0.0002380500000000 ] - [ -0.0001031600000000, 0.0001293300000000, -0.0001947300000000 ] - [ 0.0004464700000000, 0.0002037800000000, -0.0001611800000000 ] - [ 0.0002159200000000, -0.0009694400000000, -0.0001865400000000 ] - [ 0.0005519100000000, 0.0019173200000000, -0.0000586400000000 ] - [ 0.0005842600000000, -0.0012645600000000, 0.0000315000000000 ] - [ -0.0035220300000000, -0.0019207400000000, 0.0032177200000000 ] - [ 0.0018304900000000, -0.0020176000000000, -0.0104243600000000 ] - [ -0.0007117200000000, 0.0129831400000000, 0.0049397300000000 ] - [ -0.0003045100000000, -0.0038640000000000, -0.0015923800000000 ] - [ -0.0807598900000000, 0.1025826100000000, 0.0095727200000000 ] - [ -0.0005300300000000, -0.0067062900000000, 0.0013204400000000 ] - [ 0.0003765500000000, 0.0017078900000000, 0.0004487100000000 ] - [ 0.0003196200000000, -0.0020353000000000, -0.0010018700000000 ] - [ 0.0014370400000000, 0.0010721100000000, 0.0004295700000000 ] - [ -0.0006862300000000, -0.0011800300000000, -0.0003936200000000 ] - [ 0.0031695400000000, 0.0004229500000000, 0.0005539300000000 ] - [ -0.0017687800000000, -0.0015758600000000, 0.0002790500000000 ] - [ 0.0014493500000000, -0.0015425200000000, 0.0005160700000000 ] - [ -0.0029675400000000, 0.0016403500000000, -0.0002652500000000 ] - [ -0.0005423600000000, -0.0070314000000000, 0.0101760500000000 ] - [ -0.0039551800000000, -0.0081379600000000, -0.0073593100000000 ] - [ 0.0013350300000000, 0.0024659400000000, -0.0001053300000000 ] - [ -0.0005913700000000, -0.0016811800000000, -0.0001515300000000 ] - [ -0.0009487000000000, -0.0001020500000000, 0.0004451300000000 ] - [ 0.0025098600000000, 0.0002489300000000, -0.0003226800000000 ] - [ 0.0024299600000000, 0.0027031100000000, 0.0015073700000000 ] - [ -0.0006640600000000, -0.0024434700000000, -0.0013412300000000 ] - [ 0.0014588700000000, 0.0013107800000000, -0.0011019900000000 ] - [ 0.0000028100000000, -0.0014109100000000, 0.0010136400000000 ] - [ 0.0022315300000000, 0.0011380900000000, -0.0009809800000000 ] - [ -0.0013041500000000, -0.0012980300000000, 0.0007700300000000 ] - [ -0.0015585500000000, -0.0178830900000000, 0.0025368100000000 ] - [ 0.0189151400000000, 0.1432486200000000, -0.0212784300000000 ] - [ -0.0027583000000000, 0.0173353700000000, 0.0007924900000000 ] - [ 0.0013680800000000, -0.0051011100000000, -0.0014787400000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006811400000000, 0.0008426300000000, -0.0001686400000000 ] - [ -0.0001995800000000, -0.0003308800000000, -0.0000216400000000 ] - [ 0.0004236900000000, -0.0030826800000000, 0.0016357900000000 ] - [ -0.0069910700000000, -0.0132587300000000, -0.0116580900000000 ] - [ 0.0005168200000000, 0.0012186100000000, -0.0007495600000000 ] - [ 0.0001028700000000, -0.0011807100000000, -0.0004207800000000 ] - [ -0.0000387500000000, 0.0005648100000000, -0.0003466200000000 ] - [ 0.0004689900000000, -0.0005144600000000, 0.0005908100000000 ] - [ 0.0011724600000000, 0.0012179700000000, 0.0030477600000000 ] - [ -0.0010024000000000, -0.0012634400000000, -0.0011588500000000 ] - [ 0.0002490400000000, 0.0007384200000000, -0.0004651300000000 ] - [ 0.0001915500000000, -0.0008474300000000, 0.0003437900000000 ] - [ -0.0002107100000000, -0.0005464500000000, 0.0003921900000000 ] - [ 0.0003659700000000, 0.0004104800000000, -0.0003766300000000 ] - [ -0.0103707000000000, 0.0014761600000000, 0.0095094900000000 ] - [ 0.0026862600000000, -0.0046503000000000, -0.0027453900000000 ] - [ 0.0003575100000000, 0.0004317800000000, 0.0004285200000000 ] - [ 0.0001918800000000, -0.0009824100000000, -0.0002557400000000 ] - [ 0.0114676900000000, -0.0086239200000000, 0.0128512100000000 ] - [ -0.0008130800000000, -0.0031986600000000, 0.0011668400000000 ] - [ 0.0006038600000000, -0.0006107700000000, -0.0001466200000000 ] - [ -0.0007649200000000, 0.0015843700000000, 0.0018872500000000 ] - [ 0.0008421100000000, 0.0003806100000000, 0.0006379700000000 ] - [ -0.0005596500000000, -0.0007715200000000, -0.0001246500000000 ] - [ 0.0003715200000000, -0.0010381400000000, 0.0013098500000000 ] - [ -0.0017256500000000, 0.0005484600000000, -0.0024459800000000 ] - [ 0.0011751400000000, 0.0010692100000000, 0.0002893000000000 ] - [ -0.0000761400000000, -0.0005554400000000, -0.0002527600000000 ] - [ -0.0001373200000000, 0.0007237100000000, 0.0006152000000000 ] - [ 0.0001211900000000, -0.0006068400000000, -0.0007003800000000 ] - [ 0.0008500900000000, -0.0000130000000000, 0.0002619300000000 ] - [ -0.0006407100000000, 0.0001552700000000, 0.0000328500000000 ] - [ 0.0082349500000000, 0.0041343700000000, -0.0083247500000000 ] - [ -0.0002014100000000, -0.0029131900000000, 0.0013397500000000 ] - [ -0.0871232500000000, 0.3098083600000000, -0.0064526900000000 ] - [ 0.0006391100000000, -0.0042524500000000, 0.0002415200000000 ] - [ 0.0004887700000000, -0.0002070900000000, 0.0004038400000000 ] - [ -0.0005414300000000, -0.0002195800000000, -0.0003051600000000 ] - [ 0.0006812000000000, 0.0013470300000000, -0.0000164800000000 ] - [ -0.0002488300000000, -0.0012428300000000, 0.0000269100000000 ] - [ -0.0005159200000000, 0.0024633600000000, 0.0000536800000000 ] - [ 0.0006346700000000, -0.0018971000000000, -0.0002726300000000 ] - [ 0.0001491200000000, -0.0003585100000000, -0.0004438800000000 ] - [ -0.0000126600000000, 0.0000790300000000, 0.0000308800000000 ] - [ 0.0007462000000000, 0.0020635600000000, -0.0001416300000000 ] - [ -0.0002911800000000, -0.0017644300000000, -0.0003184300000000 ] - [ 0.0019123000000000, -0.0338876500000000, -0.0056521000000000 ] - [ -0.0012133900000000, -0.0079947300000000, 0.0015320800000000 ] - [ 0.0004715500000000, 0.0007693000000000, 0.0009838200000000 ] - [ -0.0004495900000000, -0.0010716000000000, -0.0002849000000000 ] - [ 0.0009249200000000, 0.0007168400000000, -0.0001721900000000 ] - [ 0.0002772000000000, -0.0005737000000000, 0.0005722800000000 ] - [ 0.0009249600000000, 0.0013295500000000, -0.0023336000000000 ] - [ -0.0012509900000000, -0.0012166900000000, 0.0016883200000000 ] - [ -0.0017276200000000, -0.0044704500000000, -0.0029868300000000 ] - [ 0.0044141800000000, -0.0017961000000000, 0.0119139100000000 ] - [ 0.0002517300000000, 0.0013980000000000, 0.0015198100000000 ] - [ -0.0005231300000000, -0.0008417700000000, -0.0004986600000000 ] - [ -0.0020576100000000, -0.0015067800000000, 0.0022644300000000 ] - [ 0.0059255800000000, -0.0103187500000000, -0.0080010700000000 ] - [ 0.0002454500000000, 0.0009560200000000, 0.0005955000000000 ] - [ -0.0000177300000000, -0.0003196800000000, -0.0001501900000000 ] - [ 0.0016443000000000, 0.0001399000000000, -0.0004619000000000 ] - [ -0.0004391200000000, -0.0007925400000000, 0.0005938600000000 ] - [ 0.0020621900000000, -0.0012114100000000, 0.0012162900000000 ] - [ -0.0039331900000000, -0.0008692600000000, -0.0007132300000000 ] - [ 0.0009382200000000, 0.0004960600000000, 0.0001670400000000 ] - [ 0.0005493300000000, -0.0006547100000000, 0.0000775500000000 ] - [ -0.0024206700000000, -0.0001303200000000, 0.0009146700000000 ] - [ 0.0027618800000000, -0.0012490500000000, -0.0019380100000000 ] - [ -0.0008966900000000, 0.0057603900000000, -0.0027670200000000 ] - [ 0.0006392600000000, -0.0017263900000000, -0.0000976900000000 ] - [ 0.0004868100000000, 0.0028761300000000, -0.0005069300000000 ] - [ -0.0006371700000000, -0.0014305000000000, 0.0001303300000000 ] - [ -0.0017932800000000, -0.0018006200000000, 0.0024227300000000 ] - [ -0.0001949100000000, -0.0023353100000000, -0.0018889200000000 ] - [ -0.0008068500000000, 0.0024120200000000, 0.0003543400000000 ] - [ 0.0011239400000000, -0.0012816700000000, -0.0002500800000000 ] - [ -0.0004319400000000, 0.0005721900000000, 0.0002810000000000 ] - [ 0.0006173100000000, -0.0009794100000000, -0.0003123800000000 ] - [ 0.0003073400000000, -0.0031456700000000, -0.0003651200000000 ] - [ 0.0000563300000000, 0.0012575600000000, -0.0002826100000000 ] - [ 0.0018791300000000, -0.0000423700000000, 0.0007414200000000 ] - [ -0.0018022900000000, 0.0010659500000000, -0.0008414200000000 ] - [ -0.0014775800000000, 0.0011253800000000, 0.0002558100000000 ] - [ 0.0011526000000000, 0.0012461900000000, -0.0003378400000000 ] - [ 0.0006647600000000, -0.0014820200000000, -0.0007408300000000 ] - [ 0.0001933900000000, 0.0016982700000000, -0.0000248700000000 ] - [ -0.0004532700000000, -0.0003097900000000, 0.0018593100000000 ] - [ 0.0003163300000000, 0.0013924700000000, -0.0011780000000000 ] - [ 0.0004021900000000, -0.0012812100000000, -0.0003851800000000 ] - [ 0.0003078700000000, 0.0013388100000000, -0.0002338800000000 ] - [ -0.0003478900000000, 0.0001913700000000, -0.0001580600000000 ] - [ -0.0004178600000000, 0.0002686100000000, -0.0002014100000000 ] - [ -0.0000922300000000, -0.0010081700000000, -0.0002025100000000 ] - [ 0.0001377100000000, 0.0001590400000000, -0.0001768900000000 ] - [ -0.0003569900000000, -0.0018448800000000, 0.0002424500000000 ] - [ -0.0004071100000000, 0.0013305200000000, 0.0001569500000000 ] - [ 0.0033440600000000, 0.0019714700000000, -0.0030441000000000 ] - [ -0.0019962200000000, 0.0020692900000000, 0.0105290500000000 ] - [ 0.0008259000000000, -0.0129340100000000, -0.0047865600000000 ] - [ 0.0004815700000000, 0.0037942900000000, 0.0017836900000000 ] - [ 0.0854711400000000, -0.1062587900000000, -0.0104463000000000 ] - [ 0.0002561900000000, 0.0068552500000000, -0.0014488900000000 ] - [ -0.0001077000000000, -0.0018812500000000, -0.0005941200000000 ] - [ -0.0000551400000000, 0.0018595100000000, 0.0008593700000000 ] - [ -0.0016957300000000, -0.0012379900000000, -0.0005704600000000 ] - [ 0.0004269800000000, 0.0009994700000000, 0.0002531900000000 ] - [ -0.0033344600000000, -0.0004890800000000, -0.0003638100000000 ] - [ 0.0015845800000000, 0.0015023800000000, -0.0000920400000000 ] - [ -0.0011889400000000, 0.0017030400000000, -0.0006545000000000 ] - [ 0.0032190700000000, -0.0014497900000000, 0.0001123000000000 ] - [ 0.0002290600000000, 0.0068527700000000, -0.0102002900000000 ] - [ 0.0036514300000000, 0.0079719200000000, 0.0072668800000000 ] - [ -0.0010544300000000, -0.0023256300000000, 0.0000472800000000 ] - [ 0.0008805500000000, 0.0018036200000000, 0.0000955900000000 ] - [ 0.0006700000000000, 0.0002251800000000, -0.0004999300000000 ] - [ -0.0027801600000000, -0.0001172400000000, 0.0002633900000000 ] - [ -0.0024646500000000, -0.0025442500000000, -0.0016832900000000 ] - [ 0.0006058100000000, 0.0025954100000000, 0.0011719700000000 ] - [ -0.0013946900000000, -0.0014653900000000, 0.0009409100000000 ] - [ 0.0000514100000000, 0.0012533400000000, -0.0011740800000000 ] - [ -0.0022795300000000, -0.0012855000000000, 0.0008061200000000 ] - [ 0.0012557600000000, 0.0011349700000000, -0.0009308100000000 ] - [ 0.0015989500000000, 0.0180260700000000, -0.0027123300000000 ] - [ -0.0175876100000000, -0.1334937700000000, 0.0194453700000000 ] - [ 0.0030859300000000, -0.0173539400000000, -0.0009277200000000 ] - [ -0.0010872500000000, 0.0049640400000000, 0.0014303700000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005243400000000, -0.0001755000000000, 0.0005827800000000 ] - [ 0.0000502400000000, 0.0001058900000000, 0.0000890300000000 ] - [ -0.0005520800000000, -0.0011324200000000, -0.0011217300000000 ] - [ 0.0040355300000000, 0.0103987100000000, 0.0035040500000000 ] - [ -0.0013245400000000, 0.0007567300000000, 0.0020598400000000 ] - [ -0.0000275800000000, -0.0002246800000000, 0.0002025800000000 ] - [ -0.0001856700000000, 0.0002305300000000, -0.0003581400000000 ] - [ -0.0001865000000000, 0.0001663500000000, -0.0002653700000000 ] - [ 0.0007981100000000, 0.0004175700000000, 0.0020042900000000 ] - [ 0.0001643800000000, 0.0002717600000000, 0.0004444600000000 ] - [ 0.0005107800000000, 0.0001792400000000, -0.0005120300000000 ] - [ 0.0001849300000000, -0.0001710500000000, -0.0001027500000000 ] - [ -0.0001577600000000, -0.0001448200000000, 0.0001806700000000 ] - [ -0.0002546100000000, -0.0002313500000000, 0.0003854400000000 ] - [ -0.0048707200000000, -0.0053945800000000, 0.0007388400000000 ] - [ 0.0001356600000000, 0.0002993000000000, -0.0001837600000000 ] - [ 0.0004152400000000, 0.0002017400000000, 0.0008264300000000 ] - [ 0.0002089600000000, -0.0003044700000000, 0.0003339600000000 ] - [ 0.0065012800000000, -0.0089175100000000, 0.0034809900000000 ] - [ -0.0001082100000000, 0.0016501200000000, -0.0007654100000000 ] - [ 0.0001319700000000, 0.0002854100000000, 0.0005217700000000 ] - [ -0.0007579000000000, -0.0007935200000000, 0.0025854300000000 ] - [ -0.0004811800000000, -0.0003444900000000, -0.0001856500000000 ] - [ -0.0003070000000000, -0.0003057700000000, -0.0000228600000000 ] - [ -0.0000105300000000, -0.0004675500000000, 0.0005844500000000 ] - [ 0.0003473100000000, -0.0004133200000000, 0.0018807800000000 ] - [ 0.0007994800000000, -0.0001518700000000, -0.0007215200000000 ] - [ 0.0002947000000000, 0.0001048500000000, -0.0001148600000000 ] - [ -0.0002476200000000, 0.0003064800000000, 0.0003907800000000 ] - [ -0.0002675700000000, 0.0001442600000000, 0.0002301900000000 ] - [ 0.0001761900000000, 0.0002035900000000, 0.0000941500000000 ] - [ 0.0001800400000000, 0.0001705000000000, 0.0001019500000000 ] - [ -0.0039473100000000, 0.0029921300000000, -0.0005059500000000 ] - [ 0.0003082900000000, -0.0003477900000000, -0.0003242300000000 ] - [ 0.0202409800000000, 0.0076574300000000, -0.0417888900000000 ] - [ -0.0000644500000000, -0.0001444300000000, -0.0004127900000000 ] - [ 0.0001889300000000, 0.0004099100000000, 0.0005491000000000 ] - [ -0.0000792400000000, -0.0003057200000000, 0.0005470700000000 ] - [ 0.0000097400000000, -0.0001203200000000, -0.0003283400000000 ] - [ 0.0000142500000000, -0.0000667000000000, -0.0001165400000000 ] - [ 0.0001857700000000, -0.0000577100000000, 0.0006446000000000 ] - [ 0.0002498200000000, -0.0000934100000000, 0.0000190300000000 ] - [ -0.0001634100000000, 0.0002279700000000, -0.0004833400000000 ] - [ -0.0001191500000000, -0.0002391400000000, -0.0004789700000000 ] - [ 0.0001720100000000, 0.0002340800000000, 0.0005319200000000 ] - [ 0.0000798700000000, -0.0001202200000000, -0.0000314000000000 ] - [ -0.0003720600000000, 0.0040607600000000, -0.0032855500000000 ] - [ -0.0003225100000000, -0.0015450900000000, -0.0015661200000000 ] - [ 0.0001298500000000, 0.0001695900000000, 0.0006110300000000 ] - [ -0.0000971700000000, 0.0001382900000000, 0.0004090300000000 ] - [ -0.0002561700000000, 0.0002986400000000, -0.0001067700000000 ] - [ 0.0001763400000000, -0.0001292700000000, 0.0001656500000000 ] - [ -0.0012249400000000, 0.0002465100000000, 0.0021336300000000 ] - [ -0.0006403100000000, -0.0004068800000000, 0.0006371900000000 ] - [ 0.0002400800000000, 0.0001941700000000, 0.0000859300000000 ] - [ 0.0030613100000000, -0.0062695200000000, 0.0034710800000000 ] - [ 0.0013168900000000, -0.0008295800000000, 0.0028173400000000 ] - [ -0.0000324500000000, -0.0002306000000000, 0.0003687800000000 ] - [ 0.0000998900000000, -0.0000233300000000, -0.0006520100000000 ] - [ -0.0021729300000000, 0.0045101800000000, -0.0008850000000000 ] - [ -0.0002689200000000, 0.0004156100000000, 0.0007136700000000 ] - [ -0.0000320300000000, 0.0001923300000000, 0.0002700400000000 ] - [ 0.0005300700000000, -0.0000360600000000, -0.0005554700000000 ] - [ 0.0002508000000000, -0.0001872300000000, -0.0002620200000000 ] - [ 0.0006713700000000, -0.0006398100000000, 0.0006239200000000 ] - [ 0.0012313900000000, 0.0005749000000000, 0.0005205000000000 ] - [ 0.0002360700000000, -0.0001071800000000, 0.0000564400000000 ] - [ 0.0004537900000000, -0.0001566200000000, 0.0001038200000000 ] - [ -0.0013076000000000, -0.0004844000000000, 0.0002977700000000 ] - [ -0.0013352800000000, 0.0000183100000000, 0.0004491500000000 ] - [ -0.0015186100000000, 0.0009833500000000, 0.0103234400000000 ] - [ 0.0003942400000000, 0.0000115600000000, 0.0000798600000000 ] - [ 0.0029596400000000, 0.0006659100000000, 0.0008468900000000 ] - [ 0.0002645300000000, -0.0000006400000000, 0.0001168100000000 ] - [ -0.0007995900000000, -0.0021738800000000, 0.0009561600000000 ] - [ -0.0008631500000000, 0.0004647000000000, 0.0007114100000000 ] - [ -0.0010696800000000, 0.0001304800000000, 0.0006670800000000 ] - [ 0.0001728600000000, -0.0001368600000000, 0.0001233100000000 ] - [ -0.0000696700000000, 0.0001839000000000, 0.0003444900000000 ] - [ 0.0001808200000000, -0.0004159200000000, 0.0005752300000000 ] - [ -0.0011644200000000, -0.0005639000000000, -0.0006779700000000 ] - [ 0.0001573300000000, -0.0001075500000000, -0.0002406300000000 ] - [ -0.0002763200000000, -0.0007654500000000, 0.0002402200000000 ] - [ -0.0006483300000000, 0.0001236200000000, 0.0006944800000000 ] - [ 0.0000194300000000, -0.0001642300000000, 0.0002088700000000 ] - [ 0.0004428100000000, 0.0010493300000000, 0.0002118400000000 ] - [ 0.0002878400000000, 0.0003235000000000, -0.0026007400000000 ] - [ 0.0002041600000000, 0.0003616000000000, -0.0003933800000000 ] - [ -0.0001867700000000, -0.0013645800000000, -0.0003896500000000 ] - [ 0.0000082000000000, 0.0008072400000000, -0.0006558200000000 ] - [ 0.0014140400000000, 0.0002048100000000, -0.0005973300000000 ] - [ 0.0003744000000000, 0.0001465700000000, -0.0001900600000000 ] - [ -0.0002662700000000, 0.0000290200000000, -0.0002187800000000 ] - [ -0.0003163400000000, 0.0003673900000000, -0.0002109300000000 ] - [ 0.0001488000000000, -0.0003848100000000, -0.0003727800000000 ] - [ 0.0001381300000000, -0.0003875500000000, -0.0002384300000000 ] - [ 0.0012087600000000, -0.0005528000000000, -0.0003304700000000 ] - [ 0.0001074300000000, 0.0000757600000000, -0.0000301400000000 ] - [ 0.0015322300000000, 0.0017498200000000, 0.0004240300000000 ] - [ 0.0015221600000000, -0.0012076300000000, -0.0017012300000000 ] - [ -0.0057092200000000, -0.0000434000000000, -0.0073843500000000 ] - [ 0.0000993300000000, 0.0000112700000000, -0.0000630900000000 ] - [ -0.0179571600000000, 0.0151710600000000, 0.0179093800000000 ] - [ 0.0003725300000000, 0.0005498100000000, 0.0016785000000000 ] - [ 0.0002470600000000, -0.0004522400000000, -0.0010850500000000 ] - [ 0.0000147600000000, 0.0001911100000000, -0.0005218100000000 ] - [ -0.0002439900000000, 0.0002027200000000, 0.0008910200000000 ] - [ -0.0000489700000000, -0.0001983400000000, 0.0002708300000000 ] - [ -0.0015550500000000, -0.0003076600000000, 0.0002061800000000 ] - [ -0.0009629500000000, -0.0005729600000000, 0.0003768600000000 ] - [ -0.0001529700000000, 0.0000319300000000, -0.0009746400000000 ] - [ 0.0002838800000000, 0.0006814900000000, -0.0028715400000000 ] - [ 0.0000414000000000, 0.0046408400000000, -0.0042546100000000 ] - [ -0.0012912100000000, -0.0028259600000000, -0.0036289200000000 ] - [ -0.0021026200000000, 0.0001571800000000, 0.0001713300000000 ] - [ 0.0000114500000000, 0.0001841500000000, -0.0000141100000000 ] - [ 0.0003084700000000, 0.0000356200000000, -0.0001341500000000 ] - [ 0.0002979300000000, 0.0001725500000000, -0.0001566500000000 ] - [ -0.0004648200000000, -0.0005995100000000, -0.0031713700000000 ] - [ -0.0002783300000000, 0.0003446500000000, -0.0009071900000000 ] - [ -0.0001467700000000, -0.0004857300000000, 0.0012691200000000 ] - [ -0.0000369300000000, 0.0001264000000000, 0.0004622800000000 ] - [ -0.0006698000000000, 0.0004246900000000, -0.0034543100000000 ] - [ 0.0001347400000000, -0.0001965900000000, -0.0008670900000000 ] - [ 0.0001718900000000, -0.0008830000000000, 0.0018705600000000 ] - [ -0.0052442000000000, -0.0225413100000000, 0.0211074600000000 ] - [ 0.0071660000000000, 0.0002174300000000, -0.0054152400000000 ] - [ 0.0002256700000000, -0.0000089100000000, -0.0000972800000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004013400000000, 0.0003775900000000, -0.0006760100000000 ] - [ 0.0000745300000000, 0.0000982700000000, -0.0001815200000000 ] - [ 0.0004259300000000, 0.0009300600000000, 0.0010237900000000 ] - [ -0.0041130700000000, -0.0105610000000000, -0.0035925500000000 ] - [ 0.0014580300000000, -0.0009631400000000, -0.0021524100000000 ] - [ 0.0001521400000000, 0.0000197400000000, -0.0002953700000000 ] - [ 0.0000587200000000, -0.0000277800000000, 0.0002645900000000 ] - [ 0.0000610400000000, 0.0000381200000000, 0.0001718700000000 ] - [ -0.0010397400000000, -0.0002324800000000, -0.0020159100000000 ] - [ -0.0004089600000000, -0.0000851700000000, -0.0004528700000000 ] - [ -0.0002696600000000, -0.0003660600000000, 0.0005055800000000 ] - [ 0.0000569300000000, -0.0000156300000000, 0.0000949600000000 ] - [ -0.0000860100000000, -0.0000424400000000, -0.0001895600000000 ] - [ 0.0000084700000000, 0.0000441600000000, -0.0003951300000000 ] - [ 0.0051731000000000, 0.0056294100000000, -0.0007324500000000 ] - [ 0.0001067800000000, -0.0001085700000000, 0.0001789700000000 ] - [ -0.0000281800000000, -0.0006473000000000, -0.0004189400000000 ] - [ 0.0001692400000000, -0.0001392800000000, 0.0000887000000000 ] - [ -0.0068251500000000, 0.0093355600000000, -0.0030793800000000 ] - [ -0.0002845500000000, -0.0011953300000000, 0.0011594000000000 ] - [ 0.0002484900000000, 0.0001596400000000, -0.0001012900000000 ] - [ 0.0011516500000000, 0.0012476800000000, -0.0021811900000000 ] - [ 0.0000939300000000, -0.0001048400000000, 0.0005916100000000 ] - [ -0.0000838300000000, -0.0001432500000000, 0.0004233400000000 ] - [ -0.0005316100000000, 0.0002615100000000, -0.0005992200000000 ] - [ -0.0008752100000000, 0.0002062800000000, -0.0018843300000000 ] - [ -0.0002718700000000, 0.0003587900000000, 0.0007185100000000 ] - [ 0.0002310800000000, 0.0001036300000000, 0.0001150300000000 ] - [ -0.0002840500000000, -0.0001012400000000, -0.0003985600000000 ] - [ -0.0002800300000000, 0.0000629000000000, -0.0002471300000000 ] - [ -0.0005514800000000, 0.0001514900000000, 0.0000849300000000 ] - [ -0.0005520900000000, 0.0001802000000000, 0.0000783300000000 ] - [ 0.0044986600000000, -0.0032118500000000, 0.0005258600000000 ] - [ 0.0002141400000000, 0.0001402200000000, 0.0003267200000000 ] - [ -0.0196046900000000, -0.0076610100000000, 0.0412377700000000 ] - [ 0.0000424900000000, 0.0003480600000000, 0.0004081100000000 ] - [ -0.0001440400000000, -0.0001887200000000, -0.0005488000000000 ] - [ 0.0001105800000000, 0.0005137200000000, -0.0005491100000000 ] - [ -0.0000430500000000, -0.0000881600000000, 0.0003277800000000 ] - [ -0.0000432600000000, -0.0001387100000000, 0.0001142400000000 ] - [ 0.0000993100000000, 0.0000011300000000, -0.0010902000000000 ] - [ 0.0000477300000000, 0.0000204900000000, -0.0004738600000000 ] - [ -0.0001231700000000, -0.0001726100000000, 0.0000363600000000 ] - [ -0.0001697000000000, 0.0003007000000000, 0.0000298000000000 ] - [ 0.0001125400000000, -0.0001723400000000, -0.0009786900000000 ] - [ 0.0002194400000000, 0.0001968900000000, -0.0004251300000000 ] - [ 0.0000837700000000, -0.0041248900000000, 0.0028276100000000 ] - [ 0.0000456600000000, 0.0014652300000000, 0.0011327500000000 ] - [ -0.0006208800000000, -0.0001976500000000, -0.0001645500000000 ] - [ -0.0003939800000000, -0.0001619500000000, 0.0000402400000000 ] - [ 0.0007439400000000, -0.0002782500000000, 0.0005578700000000 ] - [ 0.0003142300000000, 0.0001533400000000, 0.0002853200000000 ] - [ 0.0007307200000000, -0.0002165200000000, -0.0016839200000000 ] - [ 0.0001482800000000, 0.0004349500000000, -0.0001902100000000 ] - [ 0.0002512000000000, -0.0002174400000000, 0.0003643500000000 ] - [ -0.0026254300000000, 0.0063365200000000, -0.0030871600000000 ] - [ -0.0014601700000000, 0.0003780700000000, -0.0025853600000000 ] - [ -0.0001042000000000, -0.0002253400000000, -0.0001299500000000 ] - [ 0.0000397000000000, 0.0004790100000000, 0.0008887300000000 ] - [ 0.0022713500000000, -0.0040313800000000, 0.0011379000000000 ] - [ 0.0001348600000000, 0.0000376600000000, -0.0004816100000000 ] - [ -0.0001028200000000, 0.0002607100000000, -0.0000377300000000 ] - [ -0.0003965100000000, -0.0004203200000000, 0.0007947300000000 ] - [ -0.0001163700000000, -0.0002669200000000, 0.0004963600000000 ] - [ -0.0015921100000000, 0.0009649600000000, -0.0004301900000000 ] - [ -0.0021537800000000, -0.0002536100000000, -0.0003244200000000 ] - [ 0.0006880400000000, -0.0002152000000000, 0.0001409200000000 ] - [ 0.0004733000000000, -0.0001670700000000, 0.0000925000000000 ] - [ 0.0003839800000000, 0.0001553700000000, -0.0001030100000000 ] - [ 0.0004064100000000, -0.0003360800000000, -0.0002537200000000 ] - [ 0.0024869300000000, -0.0006878000000000, -0.0103195300000000 ] - [ 0.0005289600000000, 0.0003116200000000, 0.0001171900000000 ] - [ -0.0026009100000000, -0.0003095700000000, -0.0006698300000000 ] - [ 0.0001078800000000, 0.0003540800000000, 0.0000640400000000 ] - [ 0.0004289500000000, 0.0018106400000000, -0.0007754400000000 ] - [ 0.0004927000000000, -0.0008153900000000, -0.0005307200000000 ] - [ 0.0014345400000000, -0.0004809800000000, -0.0004816900000000 ] - [ 0.0001958300000000, -0.0002150900000000, 0.0000589600000000 ] - [ 0.0001030800000000, -0.0003989700000000, -0.0003464200000000 ] - [ -0.0001365500000000, 0.0001948000000000, -0.0005740400000000 ] - [ 0.0016924100000000, 0.0001733100000000, 0.0002835700000000 ] - [ 0.0003741700000000, -0.0002841400000000, -0.0001535500000000 ] - [ -0.0000724000000000, -0.0000380700000000, -0.0005968100000000 ] - [ 0.0003016900000000, -0.0009291400000000, -0.0010522700000000 ] - [ -0.0003660900000000, 0.0009682100000000, -0.0005663300000000 ] - [ -0.0007887900000000, -0.0002421200000000, -0.0005677800000000 ] - [ 0.0000593900000000, 0.0004825200000000, 0.0022398600000000 ] - [ 0.0001432700000000, 0.0004451300000000, 0.0000373200000000 ] - [ -0.0003475200000000, 0.0009787100000000, -0.0000106300000000 ] - [ -0.0005424100000000, -0.0011989500000000, 0.0002576100000000 ] - [ -0.0008812100000000, 0.0001843500000000, 0.0002033500000000 ] - [ 0.0001567200000000, 0.0002424500000000, -0.0002044800000000 ] - [ -0.0002641900000000, 0.0003601800000000, -0.0001785900000000 ] - [ -0.0002151800000000, 0.0000211600000000, -0.0001866900000000 ] - [ 0.0001993300000000, -0.0004203500000000, 0.0000165700000000 ] - [ 0.0002103100000000, -0.0004189000000000, -0.0001183800000000 ] - [ -0.0010236300000000, 0.0006222800000000, 0.0005175800000000 ] - [ 0.0000738100000000, -0.0000065700000000, 0.0002183900000000 ] - [ -0.0017144000000000, -0.0016785400000000, -0.0002324800000000 ] - [ -0.0017051500000000, 0.0012700900000000, 0.0019030700000000 ] - [ 0.0059270200000000, -0.0000442400000000, 0.0075921300000000 ] - [ 0.0000785200000000, -0.0000846100000000, 0.0002495100000000 ] - [ 0.0170543800000000, -0.0144908200000000, -0.0176228700000000 ] - [ -0.0006329300000000, -0.0003881400000000, -0.0017985300000000 ] - [ 0.0000188600000000, 0.0002906600000000, 0.0009608800000000 ] - [ 0.0002512300000000, -0.0003557900000000, 0.0003971900000000 ] - [ -0.0000089000000000, -0.0003721800000000, -0.0010076800000000 ] - [ -0.0002160100000000, 0.0000312300000000, -0.0003965700000000 ] - [ 0.0013779200000000, 0.0002327400000000, -0.0000122100000000 ] - [ 0.0007826900000000, 0.0004940900000000, -0.0001829900000000 ] - [ 0.0004186400000000, 0.0001328600000000, 0.0008483200000000 ] - [ -0.0000195100000000, -0.0005151500000000, 0.0027482000000000 ] - [ -0.0003373600000000, -0.0047757200000000, 0.0042159400000000 ] - [ 0.0010126100000000, 0.0027189200000000, 0.0035846100000000 ] - [ 0.0023936200000000, -0.0000312300000000, -0.0002326500000000 ] - [ 0.0002704200000000, -0.0000596000000000, -0.0000462100000000 ] - [ -0.0005890400000000, 0.0000927600000000, 0.0000782700000000 ] - [ -0.0005790300000000, -0.0000465700000000, 0.0001012900000000 ] - [ 0.0004083600000000, 0.0007553000000000, 0.0030084900000000 ] - [ 0.0002226200000000, -0.0001872700000000, 0.0007413500000000 ] - [ 0.0002067600000000, 0.0003306200000000, -0.0014327400000000 ] - [ 0.0000934900000000, -0.0002840400000000, -0.0006274700000000 ] - [ 0.0006219900000000, -0.0005827100000000, 0.0032917300000000 ] - [ -0.0001896900000000, 0.0000409900000000, 0.0007005900000000 ] - [ -0.0001223000000000, 0.0010186000000000, -0.0020303300000000 ] - [ 0.0051603700000000, 0.0223424700000000, -0.0209806300000000 ] - [ -0.0069408800000000, -0.0003528200000000, 0.0053313800000000 ] - [ 0.0000552200000000, -0.0001177500000000, 0.0000350900000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010522200000000, 0.0003618700000000, -0.0003833000000000 ] - [ 0.0002784100000000, -0.0000845500000000, -0.0000162300000000 ] - [ -0.0003372800000000, -0.0001247800000000, -0.0001837000000000 ] - [ 0.0003865700000000, -0.0000839900000000, 0.0016744300000000 ] - [ -0.0035114500000000, 0.0032568400000000, -0.0013679800000000 ] - [ -0.0003832800000000, -0.0004891100000000, -0.0001125900000000 ] - [ 0.0005087700000000, -0.0000481600000000, -0.0001880300000000 ] - [ 0.0001841000000000, 0.0003495400000000, -0.0001485000000000 ] - [ -0.0004909000000000, 0.0095504100000000, 0.0032417200000000 ] - [ -0.0018873200000000, -0.0019924600000000, -0.0007476500000000 ] - [ 0.0007953100000000, -0.0000767500000000, -0.0000656000000000 ] - [ 0.0002847000000000, -0.0000515700000000, -0.0001370100000000 ] - [ 0.0004738400000000, -0.0004658100000000, 0.0002840800000000 ] - [ 0.0010956500000000, 0.0003396800000000, -0.0000363000000000 ] - [ -0.0000098100000000, 0.0004918800000000, -0.0012989100000000 ] - [ -0.0000438600000000, 0.0000162500000000, 0.0000400600000000 ] - [ 0.0013080300000000, -0.0001605900000000, 0.0001785300000000 ] - [ 0.0003632600000000, -0.0002339000000000, 0.0001303200000000 ] - [ -0.0005259300000000, 0.0005590900000000, 0.0005955800000000 ] - [ -0.0004580900000000, -0.0002334200000000, 0.0005834300000000 ] - [ -0.0001177800000000, 0.0000032900000000, 0.0003427200000000 ] - [ 0.0027926700000000, -0.0021118100000000, -0.0095304800000000 ] - [ 0.0002796700000000, 0.0000492500000000, 0.0003070100000000 ] - [ 0.0001976000000000, -0.0005400600000000, 0.0000799900000000 ] - [ -0.0006811500000000, 0.0009364500000000, -0.0003467700000000 ] - [ 0.0083314300000000, -0.0152239400000000, 0.0079153800000000 ] - [ 0.0008765800000000, 0.0003769500000000, 0.0000993600000000 ] - [ 0.0005214300000000, -0.0001597700000000, -0.0002471900000000 ] - [ 0.0007993300000000, -0.0003238700000000, -0.0000272200000000 ] - [ 0.0001556700000000, 0.0002884400000000, 0.0001274300000000 ] - [ 0.0010058000000000, -0.0014754500000000, -0.0002026800000000 ] - [ 0.0000482600000000, 0.0017477400000000, -0.0008559300000000 ] - [ -0.0002302000000000, 0.0001385800000000, -0.0001899200000000 ] - [ 0.0000564300000000, -0.0004433400000000, 0.0002035800000000 ] - [ 0.0001000300000000, 0.0007602100000000, 0.0000255400000000 ] - [ 0.0001206600000000, -0.0003886900000000, 0.0000817900000000 ] - [ -0.0018109600000000, -0.0009459900000000, 0.0001619200000000 ] - [ -0.0041508600000000, 0.0021598300000000, 0.0002192500000000 ] - [ 0.0003725700000000, 0.0005044500000000, 0.0000138200000000 ] - [ -0.0001364000000000, -0.0005425800000000, -0.0000854900000000 ] - [ -0.1032073500000000, 0.1005287700000000, 0.0386838200000000 ] - [ -0.0003389500000000, -0.0008226200000000, -0.0002744700000000 ] - [ 0.0002937400000000, -0.0008120900000000, -0.0002272800000000 ] - [ -0.0002256200000000, 0.0005864200000000, -0.0001679000000000 ] - [ 0.0009848500000000, 0.0006822800000000, -0.0003107400000000 ] - [ 0.0004366100000000, -0.0001456000000000, -0.0002438100000000 ] - [ -0.0000328600000000, 0.0003674000000000, -0.0002412900000000 ] - [ -0.0000263100000000, -0.0006103900000000, -0.0000861100000000 ] - [ 0.0029692600000000, -0.0152001300000000, -0.0096256800000000 ] - [ -0.0010108700000000, -0.0000510500000000, 0.0004189300000000 ] - [ 0.0005433600000000, -0.0003609600000000, 0.0024628200000000 ] - [ 0.0000077000000000, 0.0001017000000000, 0.0001116800000000 ] - [ 0.0010719200000000, 0.0002822400000000, -0.0000844200000000 ] - [ 0.0001686200000000, -0.0000417900000000, 0.0000663900000000 ] - [ 0.0004618300000000, -0.0000391700000000, 0.0003177000000000 ] - [ 0.0008695200000000, 0.0001065200000000, 0.0001293100000000 ] - [ 0.0012547300000000, -0.0001143700000000, 0.0001229000000000 ] - [ 0.0002387900000000, -0.0003666100000000, 0.0002304900000000 ] - [ 0.0004106200000000, 0.0001985300000000, -0.0000021200000000 ] - [ 0.0007310600000000, 0.0002827600000000, 0.0001976400000000 ] - [ 0.0068774300000000, -0.0096737900000000, 0.0143770700000000 ] - [ -0.0003857400000000, 0.0001118400000000, -0.0000150800000000 ] - [ 0.0001503600000000, -0.0007635000000000, -0.0012898600000000 ] - [ -0.0005898400000000, -0.0002627300000000, 0.0003142300000000 ] - [ -0.0033666100000000, -0.0007976000000000, 0.0002126000000000 ] - [ -0.0040730100000000, -0.0000072000000000, 0.0008583300000000 ] - [ 0.0019413400000000, 0.0006108700000000, 0.0013491900000000 ] - [ 0.0003362800000000, -0.0003563500000000, 0.0000201900000000 ] - [ 0.0005534100000000, -0.0002561900000000, -0.0000264900000000 ] - [ 0.0008349900000000, -0.0001159800000000, -0.0000400700000000 ] - [ 0.0013066500000000, 0.0009136900000000, -0.0003081500000000 ] - [ 0.0006287100000000, -0.0001356500000000, 0.0001216200000000 ] - [ 0.0015018100000000, 0.0005550200000000, -0.0000204700000000 ] - [ 0.0006454100000000, 0.0001126000000000, 0.0000809400000000 ] - [ 0.0007642300000000, 0.0003091500000000, 0.0004073800000000 ] - [ 0.0018540300000000, -0.0010638600000000, 0.0013379900000000 ] - [ -0.0036582300000000, 0.0010440000000000, 0.0015125600000000 ] - [ -0.0003102200000000, -0.0003540800000000, 0.0000476600000000 ] - [ 0.0005423100000000, -0.0003898600000000, 0.0000014000000000 ] - [ 0.0006585800000000, -0.0002327400000000, -0.0000481300000000 ] - [ 0.0034934000000000, -0.0008578800000000, 0.0005575500000000 ] - [ 0.0005812500000000, 0.0001427600000000, -0.0002895700000000 ] - [ -0.0005305900000000, -0.0003726300000000, -0.0001832800000000 ] - [ -0.0005868800000000, -0.0003805700000000, -0.0002436800000000 ] - [ 0.0004226100000000, 0.0005919100000000, -0.0000364200000000 ] - [ 0.0004175500000000, 0.0003718300000000, -0.0001321700000000 ] - [ -0.0018226000000000, -0.0006360100000000, -0.0004426200000000 ] - [ -0.0000726700000000, 0.0007981300000000, -0.0000952800000000 ] - [ -0.0003759800000000, -0.0005027000000000, -0.0001199100000000 ] - [ -0.0007518600000000, 0.0007992000000000, 0.0003355900000000 ] - [ -0.0002657400000000, 0.0000385500000000, -0.0001908700000000 ] - [ -0.0000206600000000, 0.0003591000000000, -0.0002130600000000 ] - [ -0.0006515000000000, 0.0007804300000000, -0.0003941600000000 ] - [ -0.0004848900000000, -0.0002690700000000, -0.0003913200000000 ] - [ -0.0044347900000000, 0.0002611900000000, 0.0012394800000000 ] - [ 0.0002823500000000, -0.0001271700000000, -0.0003059600000000 ] - [ 0.0015864900000000, -0.0034530300000000, -0.0090934100000000 ] - [ 0.0006452000000000, 0.0001163600000000, 0.0003409800000000 ] - [ -0.0012481100000000, -0.0001913700000000, 0.0001728100000000 ] - [ -0.0027034300000000, -0.0005335200000000, -0.0002713600000000 ] - [ -0.0020271000000000, -0.0007016400000000, 0.0004398100000000 ] - [ -0.0004686400000000, 0.0000762300000000, -0.0000397000000000 ] - [ 0.0001282300000000, -0.0007663200000000, -0.0001005500000000 ] - [ -0.0000003100000000, 0.0009793500000000, -0.0004532100000000 ] - [ -0.0016202400000000, -0.0001995100000000, 0.0001083800000000 ] - [ -0.0005385300000000, 0.0000726000000000, -0.0000893100000000 ] - [ -0.0007573900000000, -0.0009078100000000, -0.0002077900000000 ] - [ -0.0004922300000000, 0.0007356400000000, 0.0001485700000000 ] - [ 0.0015098900000000, 0.0053133500000000, 0.0031918700000000 ] - [ 0.0025580500000000, -0.0009201900000000, 0.0005154100000000 ] - [ 0.0016712600000000, 0.0009160800000000, 0.0003081700000000 ] - [ 0.0711652900000000, -0.0753156700000000, -0.0366082100000000 ] - [ 0.0010753200000000, -0.0024277300000000, -0.0025867200000000 ] - [ 0.0033642000000000, 0.0064294100000000, -0.0076571100000000 ] - [ -0.0028073900000000, -0.0002276600000000, -0.0002038400000000 ] - [ -0.0002653200000000, 0.0003473800000000, 0.0001721800000000 ] - [ -0.0023356000000000, 0.0007415700000000, 0.0000775100000000 ] - [ -0.0020991500000000, -0.0009173500000000, 0.0000571400000000 ] - [ 0.0187317900000000, 0.0032918900000000, -0.0025649700000000 ] - [ 0.0021526700000000, 0.0012326800000000, 0.0004662300000000 ] - [ -0.0016101500000000, -0.0000433200000000, -0.0001757300000000 ] - [ 0.0003937500000000, -0.0002482300000000, 0.0000581900000000 ] - [ -0.0028880400000000, -0.0004558300000000, 0.0001742600000000 ] - [ -0.0009998400000000, 0.0004640700000000, -0.0001833300000000 ] - [ -0.0001515900000000, 0.0001532400000000, -0.0000240700000000 ] - [ -0.0016207300000000, 0.0000203700000000, -0.0006770200000000 ] - [ 0.0045247600000000, -0.0047320600000000, 0.0051248000000000 ] - [ 0.0005015800000000, 0.0006443000000000, -0.0000195300000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009246600000000, -0.0001574900000000, 0.0002862600000000 ] - [ -0.0001522800000000, 0.0002953000000000, -0.0000813300000000 ] - [ 0.0002100300000000, -0.0000770100000000, 0.0000876400000000 ] - [ -0.0005173700000000, -0.0001290400000000, -0.0017868000000000 ] - [ 0.0036685100000000, -0.0034811100000000, 0.0012356300000000 ] - [ 0.0005081800000000, 0.0002840900000000, 0.0000169600000000 ] - [ -0.0006363400000000, 0.0002534400000000, 0.0000901200000000 ] - [ -0.0003115900000000, -0.0001395100000000, 0.0000488600000000 ] - [ 0.0002716900000000, -0.0094134500000000, -0.0032518600000000 ] - [ 0.0016626000000000, 0.0021816100000000, 0.0007403300000000 ] - [ -0.0005614900000000, -0.0000963100000000, 0.0000524400000000 ] - [ -0.0000523500000000, -0.0001211700000000, 0.0001244400000000 ] - [ -0.0007048100000000, 0.0002964600000000, -0.0002981200000000 ] - [ -0.0013257400000000, -0.0005121900000000, 0.0000240300000000 ] - [ 0.0002422900000000, -0.0003226900000000, 0.0012897400000000 ] - [ 0.0002776100000000, 0.0001593200000000, -0.0000528100000000 ] - [ -0.0009325200000000, -0.0002967900000000, 0.0002212100000000 ] - [ 0.0000051100000000, -0.0002233600000000, 0.0002784300000000 ] - [ 0.0001632900000000, -0.0001030000000000, -0.0001717400000000 ] - [ 0.0000858200000000, 0.0006929100000000, -0.0001804000000000 ] - [ 0.0004887800000000, 0.0004592300000000, 0.0000637200000000 ] - [ -0.0024585900000000, 0.0026021300000000, 0.0100759000000000 ] - [ -0.0006471300000000, -0.0005073800000000, 0.0001011200000000 ] - [ -0.0005633900000000, 0.0000872900000000, 0.0003372700000000 ] - [ 0.0001630300000000, -0.0011250700000000, 0.0003358900000000 ] - [ -0.0090433700000000, 0.0152485000000000, -0.0080332200000000 ] - [ -0.0003557400000000, -0.0001784700000000, -0.0001109000000000 ] - [ 0.0000093200000000, 0.0003611800000000, 0.0002317000000000 ] - [ -0.0013073300000000, 0.0005201700000000, 0.0000224000000000 ] - [ -0.0006690400000000, -0.0000888900000000, -0.0001344700000000 ] - [ -0.0013723200000000, 0.0018236800000000, 0.0003807100000000 ] - [ -0.0004251400000000, -0.0013895800000000, 0.0010295200000000 ] - [ 0.0007606200000000, -0.0003404200000000, 0.0001646100000000 ] - [ 0.0004584800000000, 0.0002463500000000, -0.0002107300000000 ] - [ -0.0001464600000000, -0.0005445400000000, -0.0000328100000000 ] - [ -0.0001548500000000, 0.0006066600000000, -0.0000922900000000 ] - [ 0.0018386100000000, 0.0012005900000000, -0.0001754200000000 ] - [ 0.0042293900000000, -0.0019151700000000, -0.0002095300000000 ] - [ -0.0004189400000000, -0.0007226100000000, -0.0000207800000000 ] - [ 0.0000898300000000, 0.0003211100000000, 0.0000795600000000 ] - [ 0.1038513900000000, -0.1038498100000000, -0.0400745300000000 ] - [ 0.0006015000000000, 0.0007642000000000, -0.0001455800000000 ] - [ -0.0005640400000000, 0.0008890100000000, -0.0001981300000000 ] - [ -0.0000379200000000, -0.0005178500000000, -0.0002538600000000 ] - [ -0.0007278800000000, -0.0006243900000000, -0.0001052300000000 ] - [ -0.0001715000000000, 0.0002141400000000, -0.0001784400000000 ] - [ -0.0002360200000000, -0.0004410100000000, -0.0001846000000000 ] - [ -0.0002332500000000, 0.0005473800000000, -0.0003325500000000 ] - [ -0.0034662200000000, 0.0150426200000000, 0.0099863100000000 ] - [ 0.0005069900000000, -0.0000206200000000, 0.0000241500000000 ] - [ -0.0000404500000000, 0.0004183200000000, -0.0020072200000000 ] - [ 0.0005008000000000, -0.0000486500000000, 0.0003488700000000 ] - [ -0.0015802900000000, -0.0002216400000000, 0.0005364200000000 ] - [ -0.0006747900000000, 0.0001036900000000, 0.0003870400000000 ] - [ 0.0000442000000000, -0.0000284400000000, 0.0001307500000000 ] - [ -0.0003629200000000, -0.0001728700000000, 0.0003223800000000 ] - [ -0.0014125300000000, -0.0003448800000000, 0.0001261400000000 ] - [ -0.0003900900000000, -0.0000908500000000, 0.0000190300000000 ] - [ -0.0002493300000000, 0.0002576300000000, 0.0002428600000000 ] - [ -0.0005774500000000, 0.0001712900000000, 0.0000429900000000 ] - [ -0.0069355500000000, 0.0100044000000000, -0.0139960400000000 ] - [ 0.0002375800000000, 0.0003412400000000, 0.0002427000000000 ] - [ 0.0000015900000000, 0.0003064400000000, 0.0015285600000000 ] - [ 0.0007423200000000, -0.0001952700000000, -0.0000623700000000 ] - [ 0.0024304800000000, 0.0011252700000000, -0.0000136000000000 ] - [ 0.0031690900000000, 0.0003345000000000, -0.0006676400000000 ] - [ -0.0010121200000000, -0.0009360000000000, -0.0011516000000000 ] - [ 0.0006096400000000, 0.0000397400000000, 0.0001784100000000 ] - [ -0.0014881900000000, -0.0000701300000000, 0.0002251200000000 ] - [ -0.0017684700000000, -0.0002118000000000, 0.0002371100000000 ] - [ -0.0003678500000000, -0.0005895700000000, 0.0005049300000000 ] - [ 0.0002923500000000, 0.0004699300000000, 0.0000753000000000 ] - [ -0.0011304500000000, -0.0002034700000000, 0.0001985200000000 ] - [ -0.0002684900000000, 0.0002425300000000, 0.0000966000000000 ] - [ -0.0011142600000000, -0.0006508000000000, -0.0002231700000000 ] - [ -0.0022380400000000, 0.0007200300000000, -0.0011669000000000 ] - [ 0.0040237800000000, -0.0013945100000000, -0.0013379100000000 ] - [ 0.0006667500000000, 0.0000174600000000, 0.0001353000000000 ] - [ -0.0005124300000000, 0.0001804500000000, -0.0000118700000000 ] - [ -0.0006231600000000, 0.0000188500000000, 0.0000398100000000 ] - [ -0.0029625200000000, 0.0004708400000000, -0.0009670600000000 ] - [ -0.0000565200000000, -0.0005420300000000, -0.0001049500000000 ] - [ 0.0001781200000000, -0.0004350500000000, -0.0001813800000000 ] - [ 0.0002354600000000, -0.0004275400000000, -0.0001199800000000 ] - [ -0.0007727700000000, 0.0002172900000000, -0.0003278900000000 ] - [ -0.0007707000000000, 0.0004409000000000, -0.0002337600000000 ] - [ 0.0021891800000000, 0.0014592200000000, 0.0000819400000000 ] - [ 0.0004252200000000, 0.0000095900000000, -0.0002702200000000 ] - [ -0.0001542200000000, 0.0001021200000000, -0.0002732000000000 ] - [ 0.0002280500000000, -0.0011959400000000, -0.0007324700000000 ] - [ 0.0007902300000000, 0.0003580500000000, -0.0002051400000000 ] - [ 0.0005458400000000, 0.0000343500000000, -0.0001826800000000 ] - [ 0.0001280700000000, -0.0003863900000000, -0.0000003100000000 ] - [ -0.0000398900000000, 0.0006632200000000, -0.0000052600000000 ] - [ 0.0048400600000000, -0.0010731900000000, -0.0016091700000000 ] - [ 0.0000699500000000, -0.0006827400000000, -0.0000580800000000 ] - [ -0.0013883800000000, 0.0035167100000000, 0.0092917500000000 ] - [ -0.0004663400000000, -0.0000568600000000, -0.0001468300000000 ] - [ 0.0010609200000000, 0.0002464600000000, 0.0000187300000000 ] - [ 0.0025319200000000, 0.0005979500000000, 0.0004659800000000 ] - [ 0.0022044800000000, 0.0006403400000000, -0.0002534400000000 ] - [ 0.0006433500000000, -0.0001461200000000, 0.0002305000000000 ] - [ -0.0004012200000000, 0.0009408600000000, -0.0000322300000000 ] - [ -0.0002619800000000, -0.0008142900000000, 0.0003194200000000 ] - [ 0.0018742800000000, 0.0000322500000000, -0.0002352300000000 ] - [ 0.0008005800000000, -0.0002464100000000, -0.0000490000000000 ] - [ 0.0004953000000000, 0.0007414600000000, 0.0000729500000000 ] - [ 0.0002307700000000, -0.0009069700000000, -0.0002844800000000 ] - [ -0.0016768400000000, -0.0053986400000000, -0.0030246900000000 ] - [ -0.0027390600000000, 0.0008580100000000, -0.0003200500000000 ] - [ -0.0014082500000000, -0.0007618700000000, -0.0004417300000000 ] - [ -0.0713798900000000, 0.0781493500000000, 0.0375751200000000 ] - [ -0.0013610300000000, 0.0022645300000000, 0.0024964000000000 ] - [ -0.0036636500000000, -0.0065761500000000, 0.0076303200000000 ] - [ 0.0030930300000000, 0.0003583600000000, 0.0001437700000000 ] - [ 0.0005487600000000, -0.0002198200000000, -0.0002320800000000 ] - [ 0.0020496400000000, -0.0006142300000000, -0.0001362300000000 ] - [ 0.0018144300000000, 0.0010446500000000, -0.0001134300000000 ] - [ -0.0187085800000000, -0.0026247300000000, 0.0022298000000000 ] - [ -0.0022113300000000, -0.0010735900000000, -0.0006388000000000 ] - [ 0.0016654200000000, -0.0001152900000000, 0.0000105900000000 ] - [ -0.0003410400000000, 0.0000884500000000, -0.0002221800000000 ] - [ 0.0028351600000000, 0.0003002800000000, -0.0003440200000000 ] - [ 0.0009438800000000, -0.0006261500000000, 0.0000192300000000 ] - [ 0.0002019200000000, -0.0000003800000000, -0.0001452000000000 ] - [ 0.0016766400000000, 0.0001449100000000, 0.0005191100000000 ] - [ -0.0042670700000000, 0.0046720200000000, -0.0051695600000000 ] - [ -0.0002158800000000, -0.0007790800000000, -0.0000381500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006148800000000, -0.0007319500000000, 0.0006872900000000 ] - [ 0.0002040800000000, 0.0007874100000000, -0.0004680100000000 ] - [ 0.0007212400000000, 0.0013215600000000, 0.0014510900000000 ] - [ -0.0016686100000000, -0.0015160500000000, -0.0034885100000000 ] - [ 0.0054196400000000, -0.0018071800000000, -0.0116358300000000 ] - [ -0.0016526600000000, 0.0044493400000000, 0.0035778300000000 ] - [ -0.0009386200000000, -0.0000569200000000, 0.0004810700000000 ] - [ 0.0003550900000000, 0.0005371300000000, -0.0006763500000000 ] - [ 0.0098784500000000, 0.0147529600000000, 0.0091457200000000 ] - [ -0.0013903200000000, 0.0038593100000000, -0.0010924100000000 ] - [ -0.0006079100000000, -0.0003740000000000, 0.0001112000000000 ] - [ 0.0003632500000000, 0.0001656900000000, -0.0000554200000000 ] - [ -0.0007565400000000, 0.0008640200000000, -0.0006844700000000 ] - [ 0.0001560700000000, -0.0009611400000000, 0.0005146900000000 ] - [ 0.0002260800000000, -0.0015659700000000, 0.0008258300000000 ] - [ -0.0000100200000000, 0.0012900400000000, 0.0003816700000000 ] - [ -0.0010588600000000, -0.0005744900000000, 0.0000862700000000 ] - [ 0.0005438400000000, 0.0001469100000000, 0.0004633500000000 ] - [ 0.0011334000000000, -0.0006816700000000, 0.0031211500000000 ] - [ -0.0010216300000000, 0.0017133000000000, -0.0017661100000000 ] - [ 0.0002988400000000, 0.0031217000000000, -0.0014483200000000 ] - [ -0.0060463300000000, -0.0045621000000000, 0.0122198900000000 ] - [ -0.0001686800000000, -0.0013232300000000, -0.0007262500000000 ] - [ -0.0005222000000000, 0.0008022400000000, 0.0009060800000000 ] - [ -0.0000015800000000, 0.0040793100000000, -0.0012216400000000 ] - [ -0.0157845300000000, 0.0100138600000000, -0.0085718200000000 ] - [ -0.0001603200000000, -0.0007553100000000, -0.0005549400000000 ] - [ 0.0002203600000000, 0.0009233400000000, 0.0005801500000000 ] - [ -0.0015608000000000, 0.0001137500000000, -0.0003314000000000 ] - [ 0.0004300600000000, 0.0004076700000000, 0.0003140400000000 ] - [ -0.0031470800000000, 0.0030026200000000, 0.0004985400000000 ] - [ 0.0028162200000000, -0.0000979000000000, -0.0007625300000000 ] - [ 0.0015702000000000, -0.0015138000000000, -0.0014301500000000 ] - [ -0.0001140000000000, 0.0007308900000000, 0.0001650000000000 ] - [ 0.0006814200000000, -0.0023865200000000, -0.0000398700000000 ] - [ -0.0006053300000000, 0.0019731600000000, -0.0000643700000000 ] - [ 0.0001458900000000, 0.0080721900000000, -0.0015107500000000 ] - [ 0.0015562100000000, 0.0339613300000000, 0.0041671700000000 ] - [ -0.0007988700000000, -0.0021343700000000, -0.0002152400000000 ] - [ 0.0005757800000000, 0.0016870300000000, 0.0001496800000000 ] - [ 0.1045491300000000, -0.3271175600000000, -0.0274055300000000 ] - [ -0.0006576900000000, 0.0048621900000000, -0.0002664400000000 ] - [ -0.0009776600000000, 0.0018906400000000, 0.0000458900000000 ] - [ 0.0004259400000000, -0.0014743600000000, -0.0005234300000000 ] - [ -0.0005230200000000, -0.0015227000000000, -0.0000318900000000 ] - [ 0.0003129800000000, 0.0012402300000000, -0.0002927100000000 ] - [ 0.0004522900000000, 0.0002875700000000, 0.0002630100000000 ] - [ -0.0005400400000000, 0.0002766400000000, -0.0006934400000000 ] - [ -0.0097797900000000, 0.0194104800000000, 0.0142442900000000 ] - [ 0.0014278900000000, 0.0021879500000000, -0.0017627900000000 ] - [ -0.0007363900000000, 0.0000042600000000, -0.0022217900000000 ] - [ 0.0009399800000000, 0.0003226200000000, 0.0009169400000000 ] - [ -0.0015100100000000, -0.0009199400000000, 0.0006919800000000 ] - [ 0.0000261000000000, 0.0009977900000000, -0.0002187900000000 ] - [ 0.0002143300000000, 0.0007500600000000, 0.0004958300000000 ] - [ -0.0001227400000000, -0.0010393600000000, 0.0001086200000000 ] - [ -0.0008259700000000, -0.0011131800000000, 0.0006016500000000 ] - [ -0.0002089900000000, 0.0004028700000000, -0.0002406400000000 ] - [ 0.0001983000000000, 0.0009715200000000, 0.0008590700000000 ] - [ -0.0005342900000000, -0.0003255600000000, -0.0005124400000000 ] - [ -0.0094097300000000, 0.0023290900000000, -0.0139454500000000 ] - [ 0.0019422700000000, 0.0038987100000000, 0.0025786600000000 ] - [ -0.0011522800000000, 0.0001687600000000, 0.0032365100000000 ] - [ 0.0017453900000000, 0.0005706100000000, -0.0019083400000000 ] - [ 0.0002595900000000, 0.0030858700000000, 0.0013893500000000 ] - [ 0.0006044900000000, 0.0048216200000000, -0.0057418000000000 ] - [ -0.0014113800000000, -0.0021330000000000, -0.0011449000000000 ] - [ 0.0015830200000000, 0.0007956600000000, 0.0007252600000000 ] - [ -0.0002790600000000, 0.0001499400000000, 0.0001014000000000 ] - [ -0.0013460600000000, -0.0002989000000000, 0.0001375600000000 ] - [ 0.0018520000000000, -0.0023595000000000, 0.0000631600000000 ] - [ -0.0006666100000000, 0.0013269700000000, 0.0002623900000000 ] - [ -0.0003372800000000, -0.0005199500000000, 0.0002319100000000 ] - [ 0.0000008100000000, 0.0006512100000000, 0.0000565200000000 ] - [ 0.0027930500000000, 0.0013713300000000, 0.0014134000000000 ] - [ -0.0030802900000000, 0.0005381200000000, -0.0016162500000000 ] - [ 0.0021287600000000, -0.0044071900000000, -0.0006088500000000 ] - [ 0.0001298800000000, 0.0014430000000000, 0.0006878900000000 ] - [ -0.0002448100000000, 0.0002858000000000, -0.0002088300000000 ] - [ -0.0002694000000000, -0.0001606300000000, 0.0002686700000000 ] - [ -0.0001875900000000, 0.0048528600000000, 0.0007850800000000 ] - [ 0.0002728500000000, -0.0021287500000000, 0.0000076700000000 ] - [ -0.0000884900000000, -0.0005442200000000, -0.0003296800000000 ] - [ 0.0000611200000000, -0.0003116400000000, -0.0000184400000000 ] - [ -0.0003586900000000, -0.0005699300000000, -0.0002581500000000 ] - [ -0.0004879100000000, 0.0008725300000000, -0.0002465700000000 ] - [ -0.0003026200000000, 0.0034148400000000, -0.0001998000000000 ] - [ 0.0005974400000000, -0.0011355000000000, -0.0002327700000000 ] - [ -0.0013249900000000, -0.0010185400000000, 0.0004181100000000 ] - [ 0.0006787200000000, -0.0008953100000000, -0.0011892000000000 ] - [ 0.0005299300000000, 0.0009363700000000, -0.0001463100000000 ] - [ 0.0003091200000000, -0.0004748000000000, -0.0001971600000000 ] - [ 0.0002921400000000, -0.0007581600000000, 0.0000840600000000 ] - [ -0.0008419600000000, 0.0008232600000000, -0.0006776100000000 ] - [ 0.0009990500000000, 0.0030683500000000, -0.0004908800000000 ] - [ -0.0003122800000000, -0.0017939200000000, 0.0001618000000000 ] - [ -0.0003890600000000, 0.0074253600000000, 0.0096942900000000 ] - [ -0.0007187100000000, -0.0021764100000000, -0.0030623100000000 ] - [ -0.0015383200000000, -0.0019989200000000, -0.0002999500000000 ] - [ 0.0029179400000000, 0.0014509100000000, 0.0009552700000000 ] - [ 0.0005833100000000, 0.0022074900000000, -0.0006256500000000 ] - [ 0.0007154800000000, -0.0014198500000000, 0.0003313300000000 ] - [ -0.0033873700000000, 0.0017953200000000, -0.0013655300000000 ] - [ 0.0013769400000000, -0.0016549300000000, 0.0012282200000000 ] - [ 0.0019461700000000, 0.0006434900000000, -0.0000576200000000 ] - [ -0.0005655000000000, -0.0009211000000000, -0.0003972200000000 ] - [ 0.0004371300000000, 0.0023586800000000, 0.0010353900000000 ] - [ -0.0001370800000000, -0.0025004000000000, -0.0008893500000000 ] - [ 0.0004547800000000, -0.0086395000000000, -0.0059713500000000 ] - [ -0.0052564700000000, -0.0017549600000000, 0.0039430900000000 ] - [ 0.0002884500000000, -0.0070125000000000, 0.0017074500000000 ] - [ -0.0753489600000000, 0.1252045800000000, 0.0472247100000000 ] - [ -0.0038319400000000, -0.0082085300000000, -0.0087958800000000 ] - [ 0.0023260000000000, -0.0070639100000000, 0.0109002700000000 ] - [ 0.0027683700000000, 0.0016383300000000, 0.0001607300000000 ] - [ -0.0007713500000000, -0.0012648400000000, -0.0003168100000000 ] - [ 0.0029426600000000, -0.0011535500000000, -0.0000999300000000 ] - [ -0.0021855000000000, 0.0007698700000000, 0.0003696500000000 ] - [ 0.0000957600000000, 0.1145172600000000, -0.0269969400000000 ] - [ 0.0008327600000000, -0.0181794300000000, 0.0017983000000000 ] - [ 0.0033780100000000, 0.0007834300000000, -0.0007805500000000 ] - [ -0.0018947700000000, -0.0007407000000000, 0.0008152400000000 ] - [ 0.0013172700000000, 0.0018019700000000, -0.0015398800000000 ] - [ 0.0002343900000000, -0.0019507500000000, 0.0010595000000000 ] - [ -0.0002424100000000, -0.0024800200000000, -0.0017271800000000 ] - [ 0.0019289800000000, 0.0025892200000000, 0.0021473100000000 ] - [ -0.0053516600000000, 0.0176159800000000, 0.0002459500000000 ] - [ 0.0015997600000000, -0.0054029100000000, -0.0012996600000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007502700000000, 0.0009318900000000, -0.0007895200000000 ] - [ -0.0000703900000000, -0.0005890400000000, 0.0003684800000000 ] - [ -0.0008597600000000, -0.0015202000000000, -0.0015592000000000 ] - [ 0.0015414800000000, 0.0013118100000000, 0.0033944800000000 ] - [ -0.0053519700000000, 0.0016709200000000, 0.0116619900000000 ] - [ 0.0017703300000000, -0.0046443200000000, -0.0036611200000000 ] - [ 0.0008094800000000, 0.0002555200000000, -0.0005872800000000 ] - [ -0.0004888600000000, -0.0003443600000000, 0.0005792300000000 ] - [ -0.0103353600000000, -0.0147747300000000, -0.0092931800000000 ] - [ 0.0011417900000000, -0.0037139400000000, 0.0010567000000000 ] - [ 0.0008324200000000, 0.0002215900000000, -0.0001307300000000 ] - [ -0.0001419500000000, -0.0003229100000000, 0.0000394500000000 ] - [ 0.0005389800000000, -0.0010212500000000, 0.0006707000000000 ] - [ -0.0003808300000000, 0.0008047400000000, -0.0005322400000000 ] - [ 0.0000030500000000, 0.0017259300000000, -0.0008619000000000 ] - [ 0.0002294200000000, -0.0011345200000000, -0.0003972800000000 ] - [ 0.0014303300000000, 0.0001249400000000, 0.0003254400000000 ] - [ -0.0001741200000000, -0.0006024400000000, -0.0000532900000000 ] - [ -0.0015064600000000, 0.0011519700000000, -0.0027338600000000 ] - [ 0.0006540800000000, -0.0012640600000000, 0.0021825700000000 ] - [ 0.0000623900000000, -0.0026700400000000, 0.0018710600000000 ] - [ 0.0064116700000000, 0.0049800300000000, -0.0118360800000000 ] - [ -0.0002028300000000, 0.0008733900000000, 0.0011385900000000 ] - [ 0.0001527700000000, -0.0012575000000000, -0.0005015800000000 ] - [ -0.0005125100000000, -0.0042829100000000, 0.0012140500000000 ] - [ 0.0151038700000000, -0.0102577500000000, 0.0085416300000000 ] - [ 0.0006731800000000, 0.0009449500000000, 0.0005441400000000 ] - [ 0.0002879200000000, -0.0007368500000000, -0.0005905500000000 ] - [ 0.0010622900000000, 0.0000772000000000, 0.0003275400000000 ] - [ -0.0009376200000000, -0.0002254200000000, -0.0003275200000000 ] - [ 0.0028039200000000, -0.0026684800000000, -0.0003298500000000 ] - [ -0.0031870300000000, 0.0004387900000000, 0.0009398800000000 ] - [ -0.0010617000000000, 0.0013355900000000, 0.0014161200000000 ] - [ 0.0006221300000000, -0.0009246100000000, -0.0001711500000000 ] - [ -0.0007161600000000, 0.0026210700000000, 0.0000278700000000 ] - [ 0.0005698600000000, -0.0017540500000000, 0.0000557400000000 ] - [ -0.0001089700000000, -0.0078151000000000, 0.0015027500000000 ] - [ -0.0014225200000000, -0.0332500900000000, -0.0040115700000000 ] - [ 0.0007614300000000, 0.0019191200000000, 0.0002071900000000 ] - [ -0.0006091400000000, -0.0019129500000000, -0.0001588300000000 ] - [ -0.0998758800000000, 0.3302956300000000, 0.0216870400000000 ] - [ 0.0009262000000000, -0.0049515500000000, -0.0001508400000000 ] - [ 0.0007198100000000, -0.0018213600000000, -0.0004599700000000 ] - [ -0.0006863200000000, 0.0015472600000000, 0.0001137300000000 ] - [ 0.0007888200000000, 0.0016024400000000, -0.0003807400000000 ] - [ -0.0000435000000000, -0.0011717800000000, -0.0001260300000000 ] - [ -0.0007127300000000, -0.0003538300000000, -0.0006775700000000 ] - [ 0.0002718100000000, -0.0003614700000000, 0.0002751700000000 ] - [ 0.0095450000000000, -0.0197774100000000, -0.0141315800000000 ] - [ -0.0019325700000000, -0.0022742600000000, 0.0021933600000000 ] - [ 0.0012450000000000, 0.0000835500000000, 0.0026720900000000 ] - [ -0.0004259500000000, -0.0002368800000000, -0.0004617900000000 ] - [ 0.0010004900000000, 0.0010020700000000, -0.0002386400000000 ] - [ -0.0005397700000000, -0.0009145800000000, 0.0006705400000000 ] - [ 0.0002973500000000, -0.0008352900000000, -0.0000446700000000 ] - [ 0.0006418000000000, 0.0009550700000000, 0.0003426200000000 ] - [ 0.0006685400000000, 0.0006578300000000, -0.0003478700000000 ] - [ 0.0000416400000000, -0.0008623900000000, 0.0004966600000000 ] - [ -0.0000309200000000, -0.0005148700000000, -0.0006056400000000 ] - [ 0.0007035500000000, 0.0007820000000000, 0.0007633100000000 ] - [ 0.0093968200000000, -0.0018236200000000, 0.0143563200000000 ] - [ -0.0020911000000000, -0.0034237800000000, -0.0023068400000000 ] - [ 0.0013260400000000, -0.0006288300000000, -0.0030120900000000 ] - [ -0.0015799300000000, -0.0010328500000000, 0.0021636400000000 ] - [ -0.0012002200000000, -0.0027817700000000, -0.0012006700000000 ] - [ -0.0015489100000000, -0.0044842600000000, 0.0058871600000000 ] - [ 0.0023466400000000, 0.0018160300000000, 0.0013482900000000 ] - [ -0.0006459400000000, -0.0011199100000000, -0.0005240600000000 ] - [ -0.0006559100000000, -0.0004781500000000, 0.0000975800000000 ] - [ 0.0004146600000000, -0.0000251200000000, 0.0000610500000000 ] - [ -0.0009167700000000, 0.0026943700000000, 0.0001330100000000 ] - [ 0.0015932000000000, -0.0010045900000000, -0.0000626500000000 ] - [ 0.0007058200000000, 0.0008791400000000, -0.0000598500000000 ] - [ 0.0003644200000000, -0.0002938800000000, 0.0001158400000000 ] - [ -0.0031833400000000, -0.0017376400000000, -0.0012531900000000 ] - [ 0.0027228200000000, -0.0008971200000000, 0.0017955500000000 ] - [ -0.0017776900000000, 0.0040708300000000, 0.0007678500000000 ] - [ 0.0002365900000000, -0.0018001100000000, -0.0005121200000000 ] - [ 0.0002772600000000, -0.0005054800000000, 0.0002013200000000 ] - [ 0.0003079800000000, -0.0000681000000000, -0.0002777400000000 ] - [ 0.0007165500000000, -0.0052650200000000, -0.0011796700000000 ] - [ 0.0002533800000000, 0.0017370200000000, -0.0004050200000000 ] - [ -0.0002654400000000, -0.0002639700000000, -0.0000328600000000 ] - [ -0.0004162400000000, -0.0004932900000000, -0.0003455900000000 ] - [ 0.0000083100000000, 0.0013757200000000, -0.0001012100000000 ] - [ 0.0001383600000000, -0.0000585900000000, -0.0001158400000000 ] - [ 0.0006422500000000, -0.0026210100000000, -0.0001678100000000 ] - [ -0.0002439300000000, 0.0019483500000000, -0.0001284400000000 ] - [ 0.0008012100000000, 0.0006177800000000, -0.0008174000000000 ] - [ -0.0012069100000000, 0.0005135200000000, 0.0007952800000000 ] - [ -0.0000066800000000, -0.0005441200000000, -0.0002526900000000 ] - [ 0.0002132400000000, 0.0008735200000000, -0.0002002700000000 ] - [ -0.0008171000000000, 0.0011520500000000, -0.0004831100000000 ] - [ 0.0003191300000000, -0.0004254000000000, 0.0002804100000000 ] - [ -0.0006208500000000, -0.0039003500000000, 0.0001211300000000 ] - [ 0.0006630400000000, 0.0009895300000000, -0.0005249000000000 ] - [ 0.0006049700000000, -0.0074024500000000, -0.0095125700000000 ] - [ 0.0008944200000000, 0.0022409100000000, 0.0032399900000000 ] - [ 0.0013676500000000, 0.0020621000000000, 0.0004860200000000 ] - [ -0.0031088600000000, -0.0013956000000000, -0.0007656600000000 ] - [ -0.0004210800000000, -0.0022773700000000, 0.0008166300000000 ] - [ -0.0005402900000000, 0.0013591700000000, -0.0001485500000000 ] - [ 0.0031284500000000, -0.0016372400000000, 0.0012378600000000 ] - [ -0.0016362700000000, 0.0018403200000000, -0.0013735200000000 ] - [ -0.0016898900000000, -0.0008234000000000, -0.0000886200000000 ] - [ 0.0008248300000000, 0.0007542900000000, 0.0002562500000000 ] - [ -0.0006997900000000, -0.0025328600000000, -0.0011766400000000 ] - [ -0.0001216600000000, 0.0023327900000000, 0.0007568900000000 ] - [ -0.0006152700000000, 0.0086171800000000, 0.0061762500000000 ] - [ 0.0050785200000000, 0.0017172900000000, -0.0037545300000000 ] - [ -0.0000226700000000, 0.0072056300000000, -0.0018636500000000 ] - [ 0.0709169300000000, -0.1198205800000000, -0.0443262000000000 ] - [ 0.0035543000000000, 0.0081095900000000, 0.0087839200000000 ] - [ -0.0025917400000000, 0.0069864100000000, -0.0109881600000000 ] - [ -0.0024904300000000, -0.0015168400000000, -0.0002145200000000 ] - [ 0.0010526600000000, 0.0013976200000000, 0.0002617400000000 ] - [ -0.0032469900000000, 0.0012806500000000, 0.0000425300000000 ] - [ 0.0019060600000000, -0.0006360000000000, -0.0004273100000000 ] - [ 0.0000329100000000, -0.1228791400000000, 0.0291892700000000 ] - [ -0.0008631100000000, 0.0183418100000000, -0.0019497500000000 ] - [ -0.0033370800000000, -0.0009515700000000, 0.0006323200000000 ] - [ 0.0019468800000000, 0.0005920000000000, -0.0009873500000000 ] - [ -0.0013771400000000, -0.0019609700000000, 0.0013742300000000 ] - [ -0.0002888900000000, 0.0017986200000000, -0.0012283500000000 ] - [ 0.0002976400000000, 0.0026388400000000, 0.0015688300000000 ] - [ -0.0018961600000000, -0.0024323200000000, -0.0023104200000000 ] - [ 0.0056351800000000, -0.0178347500000000, -0.0002310200000000 ] - [ -0.0013120800000000, 0.0052828200000000, 0.0012356900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001867700000000, 0.0003430100000000, -0.0004461800000000 ] - [ 0.0000900500000000, 0.0000925400000000, -0.0001574400000000 ] - [ 0.0003179200000000, 0.0001665400000000, 0.0005421600000000 ] - [ 0.0010106400000000, -0.0000507500000000, 0.0016708700000000 ] - [ -0.0025368100000000, -0.0070851900000000, 0.0040499800000000 ] - [ 0.0000874400000000, 0.0004382200000000, -0.0001087800000000 ] - [ -0.0004267500000000, -0.0000062400000000, 0.0004175600000000 ] - [ -0.0002624700000000, -0.0000935500000000, 0.0002661600000000 ] - [ 0.0041739900000000, 0.0068837500000000, -0.0006873000000000 ] - [ -0.0006746500000000, -0.0005388500000000, -0.0010533400000000 ] - [ 0.0001621600000000, -0.0003555000000000, 0.0005241800000000 ] - [ 0.0000884900000000, -0.0000719200000000, 0.0001459800000000 ] - [ -0.0004111300000000, -0.0000271800000000, -0.0002806900000000 ] - [ -0.0005212800000000, 0.0000202800000000, -0.0004108800000000 ] - [ -0.0009897700000000, 0.0006352600000000, 0.0028343700000000 ] - [ 0.0000305400000000, 0.0000101800000000, 0.0002462700000000 ] - [ 0.0007143100000000, -0.0005127700000000, -0.0002359300000000 ] - [ 0.0002252000000000, -0.0001762800000000, 0.0000948500000000 ] - [ 0.0006178800000000, 0.0004609700000000, 0.0020138300000000 ] - [ 0.0003163700000000, -0.0003585900000000, 0.0009706600000000 ] - [ 0.0002216900000000, 0.0000189000000000, -0.0001829600000000 ] - [ -0.0077488200000000, 0.0052878800000000, 0.0070582400000000 ] - [ -0.0003694900000000, -0.0000313800000000, 0.0006262600000000 ] - [ -0.0003596200000000, -0.0000913900000000, 0.0005010700000000 ] - [ -0.0003084700000000, 0.0010575600000000, -0.0007092700000000 ] - [ 0.0041986700000000, -0.0052248100000000, -0.0031945100000000 ] - [ 0.0002200300000000, 0.0003491800000000, 0.0005419200000000 ] - [ 0.0002203300000000, 0.0001250000000000, 0.0001780400000000 ] - [ -0.0006625500000000, -0.0000925800000000, -0.0006716800000000 ] - [ -0.0005287900000000, -0.0000201900000000, -0.0003308300000000 ] - [ -0.0017807000000000, 0.0015716000000000, 0.0003751700000000 ] - [ -0.0016891200000000, -0.0007081800000000, 0.0003152000000000 ] - [ -0.0005920700000000, -0.0007616100000000, 0.0025116100000000 ] - [ 0.0002151900000000, -0.0000057500000000, 0.0003686300000000 ] - [ -0.0001482800000000, -0.0001623700000000, 0.0008862800000000 ] - [ 0.0000433600000000, 0.0001553700000000, 0.0002639400000000 ] - [ 0.0000607800000000, -0.0016349800000000, -0.0013296900000000 ] - [ 0.0003303100000000, 0.0054543300000000, -0.0030363300000000 ] - [ -0.0001381500000000, -0.0000369900000000, 0.0007737900000000 ] - [ -0.0000876000000000, -0.0001989700000000, 0.0002139300000000 ] - [ 0.0397788900000000, -0.0248160800000000, -0.0777168500000000 ] - [ 0.0001005600000000, -0.0000895800000000, -0.0006803600000000 ] - [ -0.0001433100000000, -0.0002276300000000, 0.0002733100000000 ] - [ -0.0002042400000000, 0.0003528700000000, 0.0001634000000000 ] - [ 0.0000533100000000, -0.0001516600000000, -0.0006130900000000 ] - [ 0.0001311900000000, 0.0001165400000000, -0.0003752300000000 ] - [ -0.0002818500000000, -0.0005116900000000, 0.0004092800000000 ] - [ -0.0001294800000000, 0.0004473200000000, 0.0004095300000000 ] - [ -0.0073054000000000, 0.0147752200000000, 0.0056905500000000 ] - [ -0.0002073000000000, -0.0005108700000000, -0.0009364600000000 ] - [ 0.0011756100000000, -0.0009467000000000, 0.0022837700000000 ] - [ 0.0003966200000000, 0.0000800400000000, 0.0006075900000000 ] - [ -0.0000161400000000, 0.0001104900000000, -0.0000352200000000 ] - [ -0.0001323300000000, 0.0000820100000000, 0.0000865800000000 ] - [ 0.0001702800000000, -0.0000672700000000, 0.0003263100000000 ] - [ -0.0003443100000000, 0.0003151800000000, 0.0008224700000000 ] - [ -0.0008508900000000, -0.0000457100000000, -0.0007362400000000 ] - [ -0.0001094000000000, -0.0002176600000000, -0.0000619700000000 ] - [ 0.0000683500000000, 0.0002721300000000, 0.0004328600000000 ] - [ 0.0001851000000000, 0.0003499800000000, 0.0005535600000000 ] - [ 0.0059865500000000, -0.0069867100000000, 0.0017714100000000 ] - [ 0.0000770500000000, 0.0004898200000000, 0.0001014000000000 ] - [ -0.0005759700000000, -0.0001348600000000, 0.0023078500000000 ] - [ -0.0005798500000000, -0.0007178600000000, 0.0010406600000000 ] - [ 0.0002788000000000, 0.0013128200000000, 0.0005079400000000 ] - [ 0.0001974800000000, -0.0052419000000000, 0.0022675000000000 ] - [ 0.0021166600000000, -0.0000674300000000, 0.0007292900000000 ] - [ 0.0006114200000000, -0.0001765200000000, 0.0001841500000000 ] - [ -0.0003613500000000, -0.0001509200000000, 0.0000513900000000 ] - [ -0.0004616700000000, -0.0000974500000000, 0.0000860700000000 ] - [ -0.0016403500000000, -0.0000329500000000, 0.0008289600000000 ] - [ 0.0003321600000000, 0.0003267900000000, 0.0001463300000000 ] - [ -0.0004631400000000, 0.0001071800000000, 0.0001541700000000 ] - [ 0.0000809000000000, 0.0002278800000000, 0.0000900400000000 ] - [ 0.0006757000000000, 0.0001738000000000, 0.0004290000000000 ] - [ 0.0003242200000000, -0.0003551400000000, 0.0003393200000000 ] - [ 0.0015250400000000, -0.0005280100000000, 0.0030371800000000 ] - [ 0.0002682300000000, -0.0002103700000000, 0.0001593100000000 ] - [ 0.0000245500000000, -0.0003284700000000, -0.0002432800000000 ] - [ -0.0001375800000000, 0.0001419200000000, -0.0002322800000000 ] - [ 0.0004455900000000, -0.0000508400000000, 0.0023229000000000 ] - [ 0.0002363700000000, -0.0003113100000000, -0.0002146700000000 ] - [ -0.0001491900000000, -0.0002465200000000, -0.0003157000000000 ] - [ -0.0000629900000000, -0.0005432300000000, -0.0003152800000000 ] - [ -0.0003304500000000, 0.0007672700000000, -0.0008244200000000 ] - [ -0.0004045200000000, -0.0001725700000000, -0.0009862800000000 ] - [ -0.0006516600000000, 0.0004090700000000, 0.0006190100000000 ] - [ 0.0000861900000000, 0.0003604000000000, -0.0000607000000000 ] - [ 0.0004604400000000, 0.0006662800000000, -0.0003545200000000 ] - [ 0.0003417800000000, -0.0014399900000000, -0.0005038200000000 ] - [ 0.0003573200000000, 0.0002211100000000, -0.0002135400000000 ] - [ 0.0003064900000000, 0.0001762800000000, -0.0001898500000000 ] - [ -0.0005250700000000, 0.0005752200000000, -0.0003198700000000 ] - [ -0.0005173900000000, -0.0001384800000000, -0.0002709600000000 ] - [ 0.0019999400000000, -0.0006540500000000, 0.0016200300000000 ] - [ 0.0001999700000000, -0.0005115900000000, 0.0000374500000000 ] - [ -0.0039774400000000, 0.0008898200000000, -0.0047705300000000 ] - [ -0.0001026400000000, 0.0000169800000000, -0.0001105300000000 ] - [ -0.0005287100000000, -0.0003587600000000, -0.0000895200000000 ] - [ -0.0005682400000000, -0.0002417700000000, -0.0001780000000000 ] - [ 0.0023313800000000, -0.0003472700000000, 0.0002477100000000 ] - [ 0.0002952000000000, -0.0001145600000000, 0.0002058700000000 ] - [ 0.0002125900000000, 0.0009564200000000, -0.0030886600000000 ] - [ -0.0004282700000000, -0.0002136600000000, -0.0011380100000000 ] - [ 0.0000365100000000, 0.0003171100000000, 0.0009708100000000 ] - [ 0.0003444500000000, -0.0002625300000000, 0.0003116500000000 ] - [ 0.0000883100000000, -0.0002804900000000, -0.0011180900000000 ] - [ -0.0001194100000000, -0.0000087100000000, -0.0005944400000000 ] - [ -0.0000567700000000, -0.0039590700000000, -0.0034317600000000 ] - [ 0.0021257900000000, 0.0026530000000000, -0.0001716500000000 ] - [ 0.0007056500000000, 0.0001933200000000, 0.0014495700000000 ] - [ -0.0373918900000000, 0.0485926100000000, 0.0417766500000000 ] - [ -0.0017550100000000, -0.0021352100000000, -0.0021218800000000 ] - [ -0.0029164300000000, 0.0028688800000000, -0.0010744600000000 ] - [ -0.0006906700000000, 0.0001880400000000, -0.0004430400000000 ] - [ 0.0001113500000000, 0.0000250000000000, -0.0001310400000000 ] - [ 0.0013107100000000, 0.0002208400000000, 0.0001930700000000 ] - [ 0.0012553000000000, 0.0002028000000000, 0.0000957300000000 ] - [ -0.0017709800000000, -0.0290165600000000, 0.0291839500000000 ] - [ 0.0003289600000000, -0.0021799100000000, 0.0017084600000000 ] - [ 0.0004087900000000, 0.0004193100000000, -0.0030754500000000 ] - [ 0.0003612300000000, -0.0002113300000000, -0.0011162400000000 ] - [ 0.0004984700000000, -0.0004152000000000, 0.0013419600000000 ] - [ 0.0001025400000000, 0.0000066400000000, 0.0004300800000000 ] - [ 0.0000057400000000, 0.0003428100000000, -0.0010630000000000 ] - [ 0.0008087000000000, -0.0006337100000000, -0.0033793600000000 ] - [ 0.0030746600000000, 0.0017464900000000, -0.0106930100000000 ] - [ 0.0001975700000000, -0.0002615200000000, -0.0003719200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000607300000000, -0.0001395700000000, 0.0003507100000000 ] - [ 0.0000372300000000, 0.0001102900000000, 0.0000611800000000 ] - [ -0.0004452700000000, -0.0003677300000000, -0.0006352100000000 ] - [ -0.0011401300000000, -0.0001480200000000, -0.0017633000000000 ] - [ 0.0026219800000000, 0.0067661200000000, -0.0040947800000000 ] - [ 0.0000396700000000, -0.0006427400000000, 0.0000119000000000 ] - [ 0.0003003600000000, 0.0002091100000000, -0.0005119600000000 ] - [ 0.0001363800000000, 0.0002981900000000, -0.0003612900000000 ] - [ -0.0044284400000000, -0.0066602000000000, 0.0007226000000000 ] - [ 0.0004278700000000, 0.0007222500000000, 0.0010452200000000 ] - [ 0.0000815600000000, 0.0001679400000000, -0.0005321000000000 ] - [ 0.0001550000000000, -0.0001133900000000, -0.0001544300000000 ] - [ 0.0001666900000000, -0.0001597000000000, 0.0002725200000000 ] - [ 0.0002780600000000, -0.0002061200000000, 0.0004030200000000 ] - [ 0.0012290200000000, -0.0004464300000000, -0.0028352200000000 ] - [ 0.0002136600000000, 0.0001777600000000, -0.0002532900000000 ] - [ -0.0003205300000000, 0.0000654800000000, 0.0006290300000000 ] - [ 0.0001684300000000, -0.0002686400000000, 0.0003044400000000 ] - [ -0.0010123100000000, -0.0000245100000000, -0.0016046400000000 ] - [ -0.0007100000000000, 0.0008046300000000, -0.0005680000000000 ] - [ 0.0001664000000000, 0.0004262200000000, 0.0005887100000000 ] - [ 0.0080279400000000, -0.0047792900000000, -0.0065741300000000 ] - [ -0.0000151800000000, -0.0004109500000000, -0.0002110100000000 ] - [ -0.0000357800000000, -0.0003552900000000, -0.0001067700000000 ] - [ -0.0002297600000000, -0.0012564800000000, 0.0006978400000000 ] - [ -0.0047714800000000, 0.0050020900000000, 0.0032030300000000 ] - [ 0.0003236200000000, -0.0001427900000000, -0.0005570300000000 ] - [ 0.0003026900000000, 0.0000831400000000, -0.0001761500000000 ] - [ 0.0001355300000000, 0.0003016000000000, 0.0006731500000000 ] - [ 0.0000025200000000, 0.0002265200000000, 0.0003284900000000 ] - [ 0.0014061800000000, -0.0012252200000000, -0.0001962000000000 ] - [ 0.0013174400000000, 0.0010584600000000, -0.0001350000000000 ] - [ 0.0011193700000000, 0.0005497000000000, -0.0025093300000000 ] - [ 0.0003186500000000, -0.0002012200000000, -0.0003739700000000 ] - [ 0.0001127200000000, 0.0003672400000000, -0.0008869000000000 ] - [ -0.0000825700000000, 0.0000553400000000, -0.0002636600000000 ] - [ -0.0000215400000000, 0.0018695700000000, 0.0013270800000000 ] - [ -0.0002723900000000, -0.0052254700000000, 0.0030394600000000 ] - [ 0.0000927100000000, -0.0001848400000000, -0.0007726900000000 ] - [ 0.0000578600000000, -0.0000012800000000, -0.0002160100000000 ] - [ -0.0389884600000000, 0.0242750800000000, 0.0788132300000000 ] - [ 0.0001871000000000, 0.0000255000000000, 0.0002312400000000 ] - [ -0.0001371500000000, 0.0002802500000000, -0.0007165900000000 ] - [ -0.0000867800000000, -0.0002784600000000, -0.0006145200000000 ] - [ 0.0002281100000000, 0.0002036100000000, 0.0001687500000000 ] - [ 0.0001568300000000, -0.0000566300000000, -0.0000741300000000 ] - [ 0.0000003200000000, 0.0004512600000000, -0.0008499700000000 ] - [ -0.0001575500000000, -0.0005056500000000, -0.0008556800000000 ] - [ 0.0068986900000000, -0.0148980900000000, -0.0052746700000000 ] - [ -0.0002831100000000, 0.0004879400000000, 0.0013859800000000 ] - [ -0.0006839700000000, 0.0009756200000000, -0.0018457000000000 ] - [ 0.0000933500000000, -0.0000434400000000, -0.0001664600000000 ] - [ -0.0004752600000000, -0.0000912300000000, 0.0004886400000000 ] - [ -0.0003572500000000, -0.0000476900000000, 0.0003580200000000 ] - [ 0.0003196400000000, 0.0000417700000000, 0.0001219300000000 ] - [ 0.0008318300000000, -0.0003487700000000, -0.0003767800000000 ] - [ 0.0007120600000000, -0.0004119600000000, 0.0009775600000000 ] - [ -0.0000296000000000, -0.0002377600000000, 0.0002999400000000 ] - [ 0.0000695000000000, 0.0001848100000000, -0.0001881500000000 ] - [ -0.0000483400000000, 0.0001022500000000, -0.0003234100000000 ] - [ -0.0060600600000000, 0.0073853000000000, -0.0015725400000000 ] - [ -0.0002117300000000, -0.0000308200000000, 0.0001464300000000 ] - [ 0.0007103800000000, -0.0003218600000000, -0.0020720600000000 ] - [ 0.0007171300000000, 0.0002645600000000, -0.0008041000000000 ] - [ -0.0012033400000000, -0.0009840500000000, -0.0003091800000000 ] - [ -0.0011227700000000, 0.0056045900000000, -0.0020892800000000 ] - [ -0.0011977000000000, -0.0002665400000000, -0.0005387500000000 ] - [ 0.0002985400000000, -0.0001580500000000, 0.0000098200000000 ] - [ -0.0005529400000000, -0.0001830200000000, 0.0001438400000000 ] - [ -0.0004669800000000, -0.0002271700000000, 0.0001111900000000 ] - [ 0.0025486900000000, 0.0003665500000000, -0.0006329500000000 ] - [ 0.0005868200000000, 0.0000043500000000, 0.0000479800000000 ] - [ 0.0008401100000000, 0.0002497200000000, 0.0000225400000000 ] - [ 0.0002932300000000, 0.0001268100000000, 0.0000871500000000 ] - [ -0.0010473300000000, -0.0005270200000000, -0.0002478500000000 ] - [ -0.0006904200000000, 0.0000064800000000, -0.0001559500000000 ] - [ -0.0011346900000000, 0.0001614900000000, -0.0028300800000000 ] - [ 0.0001159500000000, -0.0001462100000000, 0.0000174400000000 ] - [ 0.0000049000000000, 0.0001259100000000, 0.0002403700000000 ] - [ 0.0001677800000000, -0.0003481300000000, 0.0002302500000000 ] - [ -0.0000413700000000, -0.0003864100000000, -0.0032336500000000 ] - [ 0.0002971400000000, -0.0000812400000000, -0.0001832100000000 ] - [ -0.0001966200000000, -0.0005558100000000, -0.0000407500000000 ] - [ -0.0002839600000000, -0.0002614700000000, -0.0000416300000000 ] - [ -0.0000168100000000, 0.0000389900000000, 0.0004677700000000 ] - [ 0.0000581500000000, 0.0009738200000000, 0.0006292000000000 ] - [ 0.0009934600000000, 0.0003984200000000, -0.0009727400000000 ] - [ 0.0002598600000000, 0.0004448200000000, -0.0002939000000000 ] - [ -0.0009905200000000, -0.0010557600000000, -0.0000418500000000 ] - [ -0.0008716100000000, 0.0010453400000000, 0.0001081000000000 ] - [ 0.0001751000000000, 0.0001691900000000, -0.0001843700000000 ] - [ 0.0002251600000000, 0.0002127500000000, -0.0002066600000000 ] - [ -0.0000048700000000, -0.0001863800000000, -0.0000758100000000 ] - [ -0.0000131300000000, 0.0005288100000000, -0.0001241700000000 ] - [ -0.0016403300000000, -0.0001510800000000, -0.0019848400000000 ] - [ 0.0001467600000000, -0.0002931100000000, -0.0003922500000000 ] - [ 0.0041268400000000, -0.0007865200000000, 0.0049868400000000 ] - [ 0.0002851200000000, 0.0000546100000000, 0.0003041500000000 ] - [ 0.0003415400000000, 0.0004269700000000, 0.0002788400000000 ] - [ 0.0003824600000000, 0.0003130200000000, 0.0003672000000000 ] - [ -0.0021415500000000, 0.0002755000000000, -0.0000586600000000 ] - [ -0.0001129400000000, 0.0000373600000000, -0.0000148400000000 ] - [ -0.0004816300000000, -0.0007859200000000, 0.0029514000000000 ] - [ 0.0001646600000000, 0.0003781300000000, 0.0010126900000000 ] - [ 0.0002257200000000, -0.0004838700000000, -0.0010907100000000 ] - [ -0.0000878800000000, 0.0000926900000000, -0.0004279200000000 ] - [ -0.0003510800000000, 0.0001164800000000, 0.0009989500000000 ] - [ -0.0001439900000000, -0.0001594600000000, 0.0004686800000000 ] - [ -0.0001138400000000, 0.0038729400000000, 0.0035986200000000 ] - [ -0.0023090300000000, -0.0027285200000000, 0.0003594600000000 ] - [ -0.0004359500000000, -0.0000311000000000, -0.0015681400000000 ] - [ 0.0372823100000000, -0.0477930900000000, -0.0425683400000000 ] - [ 0.0014675300000000, 0.0019867800000000, 0.0020294200000000 ] - [ 0.0026440600000000, -0.0029916000000000, 0.0009958200000000 ] - [ 0.0009778200000000, -0.0000585200000000, 0.0003870800000000 ] - [ 0.0001716800000000, 0.0000993400000000, 0.0000724700000000 ] - [ -0.0015944400000000, -0.0000944600000000, -0.0002524900000000 ] - [ -0.0015381400000000, -0.0000766400000000, -0.0001551000000000 ] - [ 0.0017377100000000, 0.0291696800000000, -0.0297245000000000 ] - [ -0.0003819100000000, 0.0023445300000000, -0.0018741100000000 ] - [ -0.0003529500000000, -0.0005709900000000, 0.0029100700000000 ] - [ -0.0003061600000000, 0.0000512800000000, 0.0009490200000000 ] - [ -0.0005522600000000, 0.0002599400000000, -0.0015039100000000 ] - [ -0.0001590700000000, -0.0001642000000000, -0.0005929400000000 ] - [ 0.0000501700000000, -0.0001852400000000, 0.0008930000000000 ] - [ -0.0007482700000000, 0.0007893000000000, 0.0032075700000000 ] - [ -0.0027658500000000, -0.0018466400000000, 0.0105877700000000 ] - [ 0.0000839500000000, 0.0001342900000000, 0.0003145800000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004383900000000, 0.0003077000000000, 0.0000132000000000 ] - [ 0.0002971500000000, -0.0003106300000000, 0.0003422300000000 ] - [ 0.0010737600000000, 0.0006302300000000, 0.0012211800000000 ] - [ 0.0002461100000000, -0.0004606400000000, 0.0002180100000000 ] - [ 0.0008103400000000, -0.0011142600000000, -0.0040442000000000 ] - [ 0.0000196300000000, -0.0001524000000000, -0.0004374000000000 ] - [ 0.0019675900000000, -0.0002320700000000, -0.0026475200000000 ] - [ -0.0000917300000000, 0.0000527100000000, -0.0000386800000000 ] - [ 0.0148548200000000, 0.0033424400000000, -0.0028394500000000 ] - [ -0.0000715800000000, 0.0001398300000000, 0.0002349500000000 ] - [ 0.0006594600000000, 0.0003822100000000, -0.0008560900000000 ] - [ 0.0002340800000000, -0.0001543600000000, -0.0002054700000000 ] - [ 0.0017983500000000, -0.0012975400000000, 0.0010914900000000 ] - [ 0.0006167800000000, 0.0006058900000000, 0.0000832200000000 ] - [ 0.0000871600000000, -0.0000265800000000, -0.0001078700000000 ] - [ 0.0000779500000000, 0.0003099700000000, 0.0000559400000000 ] - [ 0.0005667900000000, 0.0003753600000000, 0.0011250600000000 ] - [ 0.0002004500000000, -0.0002625300000000, 0.0002432100000000 ] - [ 0.0012749100000000, 0.0000575500000000, 0.0036182600000000 ] - [ -0.0001682600000000, 0.0002722200000000, 0.0003527100000000 ] - [ 0.0006362600000000, 0.0012285900000000, -0.0009479400000000 ] - [ 0.0007993000000000, -0.0002026000000000, -0.0008513900000000 ] - [ 0.0000833300000000, 0.0004412500000000, 0.0002466400000000 ] - [ 0.0010003900000000, -0.0012761600000000, -0.0009167700000000 ] - [ 0.0002764100000000, 0.0021469500000000, -0.0004141200000000 ] - [ 0.0002910800000000, -0.0012412100000000, 0.0005944100000000 ] - [ 0.0006359000000000, 0.0003857400000000, -0.0002585300000000 ] - [ 0.0006371300000000, -0.0004018300000000, -0.0006550600000000 ] - [ 0.0052189900000000, -0.0009006900000000, 0.0022528300000000 ] - [ -0.0001957100000000, 0.0001760800000000, 0.0001256700000000 ] - [ 0.0038428500000000, -0.0097574500000000, -0.0030955200000000 ] - [ -0.0010025000000000, 0.0011605700000000, 0.0000366400000000 ] - [ -0.0000582400000000, -0.0003000200000000, 0.0002630600000000 ] - [ 0.0002218400000000, -0.0000327800000000, -0.0000420400000000 ] - [ 0.0005756300000000, -0.0006259300000000, 0.0003700500000000 ] - [ 0.0002355300000000, 0.0002982200000000, 0.0001437100000000 ] - [ -0.0000904800000000, 0.0042976400000000, -0.0028441000000000 ] - [ -0.0004573100000000, -0.0018669800000000, 0.0000022500000000 ] - [ 0.0003958600000000, 0.0010749900000000, -0.0009836300000000 ] - [ -0.0003486800000000, -0.0010968500000000, -0.0003990200000000 ] - [ 0.0033776300000000, -0.0096268500000000, -0.0073277000000000 ] - [ -0.0005995300000000, 0.0016539900000000, -0.0002131300000000 ] - [ 0.0001265200000000, -0.0009589900000000, -0.0011786200000000 ] - [ -0.0004072600000000, 0.0007121200000000, -0.0004022600000000 ] - [ 0.0014860100000000, 0.0012849400000000, -0.0000198700000000 ] - [ 0.0005801000000000, -0.0002549800000000, -0.0001368100000000 ] - [ 0.0004588800000000, 0.0003534000000000, 0.0003383200000000 ] - [ 0.0000494100000000, 0.0000147300000000, -0.0001756800000000 ] - [ -0.0853555500000000, 0.0037187200000000, 0.0580713300000000 ] - [ -0.0011116800000000, 0.0001633500000000, 0.0009039000000000 ] - [ -0.0001914500000000, 0.0005075700000000, -0.0009466400000000 ] - [ -0.0002547700000000, 0.0000845100000000, -0.0002462800000000 ] - [ 0.0005844400000000, 0.0001174800000000, -0.0001182300000000 ] - [ 0.0011062000000000, 0.0001233400000000, -0.0003030400000000 ] - [ 0.0007469600000000, 0.0001805300000000, 0.0004831900000000 ] - [ 0.0007474800000000, -0.0000261100000000, 0.0004400600000000 ] - [ 0.0008765800000000, -0.0003181000000000, 0.0003839000000000 ] - [ 0.0006871800000000, -0.0003797800000000, 0.0003939600000000 ] - [ 0.0013198900000000, 0.0002899200000000, -0.0000420000000000 ] - [ 0.0006425500000000, 0.0000980800000000, -0.0001381000000000 ] - [ -0.0027401900000000, 0.0008849500000000, 0.0034816100000000 ] - [ -0.0008390700000000, 0.0000223100000000, -0.0003752800000000 ] - [ -0.0027240800000000, -0.0026635500000000, -0.0069189500000000 ] - [ -0.0005844000000000, -0.0003127600000000, 0.0004384000000000 ] - [ -0.0017837700000000, 0.0089719600000000, 0.0048672900000000 ] - [ -0.0014212300000000, -0.0002452000000000, 0.0005436400000000 ] - [ -0.0000293800000000, 0.0001987700000000, -0.0001607300000000 ] - [ -0.0002120000000000, -0.0004043400000000, -0.0001700800000000 ] - [ 0.0026470000000000, -0.0004934500000000, -0.0003749900000000 ] - [ 0.0003244600000000, -0.0001059100000000, -0.0000200400000000 ] - [ 0.0015004800000000, -0.0000355700000000, -0.0000458000000000 ] - [ 0.0011286600000000, 0.0002664400000000, 0.0001064500000000 ] - [ 0.0014194000000000, 0.0004568400000000, 0.0000713800000000 ] - [ 0.0009487000000000, 0.0001862800000000, 0.0000792100000000 ] - [ 0.0033296600000000, 0.0012379100000000, 0.0011725200000000 ] - [ 0.0006437400000000, -0.0001644600000000, 0.0001894200000000 ] - [ -0.0016200300000000, 0.0002146900000000, -0.0000414100000000 ] - [ -0.0006712200000000, 0.0000363300000000, -0.0002096400000000 ] - [ 0.0014820200000000, -0.0007821000000000, 0.0004975800000000 ] - [ 0.0003685200000000, -0.0001231100000000, 0.0000647100000000 ] - [ 0.0018840700000000, 0.0015857800000000, -0.0017721000000000 ] - [ 0.0007286500000000, -0.0009104300000000, -0.0004439400000000 ] - [ -0.0008087400000000, -0.0003150100000000, -0.0001361400000000 ] - [ -0.0004941800000000, -0.0004224700000000, -0.0001883900000000 ] - [ 0.0008340800000000, 0.0007488800000000, 0.0003990000000000 ] - [ 0.0001753600000000, 0.0003981000000000, -0.0000679100000000 ] - [ -0.0015918700000000, 0.0015141100000000, -0.0000510500000000 ] - [ -0.0003883500000000, 0.0001577400000000, -0.0001206400000000 ] - [ -0.0006714600000000, -0.0003167900000000, 0.0001991200000000 ] - [ -0.0004937200000000, -0.0000919500000000, -0.0001113300000000 ] - [ -0.0007607100000000, -0.0002179100000000, -0.0000815900000000 ] - [ -0.0001579800000000, 0.0004776800000000, -0.0001909400000000 ] - [ -0.0000924200000000, 0.0004349500000000, -0.0002043200000000 ] - [ -0.0001081700000000, 0.0000606200000000, -0.0001342700000000 ] - [ 0.0048995200000000, 0.0008209700000000, 0.0000668400000000 ] - [ 0.0006490300000000, 0.0006054800000000, -0.0008947800000000 ] - [ 0.0016377800000000, -0.0010696600000000, 0.0011558000000000 ] - [ 0.0013377500000000, -0.0000701700000000, 0.0008507500000000 ] - [ -0.0041160500000000, -0.0007409700000000, 0.0004199900000000 ] - [ -0.0013789000000000, -0.0000678900000000, 0.0003969700000000 ] - [ -0.0015882200000000, -0.0001067600000000, -0.0001164200000000 ] - [ -0.0010961400000000, -0.0001960800000000, -0.0002446600000000 ] - [ -0.0012342200000000, 0.0007232300000000, -0.0025066300000000 ] - [ -0.0002264900000000, -0.0000601400000000, -0.0002340500000000 ] - [ -0.0033026800000000, -0.0010922800000000, -0.0027037700000000 ] - [ -0.0000566900000000, 0.0000597200000000, -0.0002801700000000 ] - [ -0.0008491100000000, -0.0015616500000000, 0.0005929100000000 ] - [ -0.0003736700000000, 0.0016182100000000, 0.0017389100000000 ] - [ 0.0240271500000000, 0.0005790900000000, -0.0052004400000000 ] - [ 0.0018318000000000, -0.0004287200000000, -0.0005215900000000 ] - [ -0.0012160300000000, -0.0040660400000000, 0.0007859100000000 ] - [ -0.0022412800000000, 0.0040300500000000, 0.0012153200000000 ] - [ -0.0062678800000000, -0.0076316200000000, -0.0075888400000000 ] - [ -0.0003208400000000, 0.0007114700000000, -0.0009714600000000 ] - [ -0.0008462800000000, -0.0010637600000000, 0.0001008300000000 ] - [ -0.0000191900000000, 0.0006890800000000, 0.0002456800000000 ] - [ -0.0098446900000000, 0.0023187300000000, 0.0009496200000000 ] - [ -0.0004934000000000, -0.0009684800000000, -0.0001071900000000 ] - [ 0.0449557800000000, 0.0033691200000000, -0.0328873000000000 ] - [ 0.0010147000000000, 0.0000473900000000, -0.0002227500000000 ] - [ -0.0014184000000000, -0.0010156100000000, 0.0055109300000000 ] - [ 0.0007495800000000, 0.0002934900000000, 0.0002914700000000 ] - [ -0.0018579200000000, -0.0008236200000000, -0.0003959200000000 ] - [ -0.0026506500000000, 0.0011331200000000, -0.0007576600000000 ] - [ -0.0014656200000000, -0.0006408700000000, -0.0011731400000000 ] - [ -0.0009105000000000, 0.0007332800000000, -0.0003889700000000 ] - [ 0.0005435300000000, 0.0008347000000000, 0.0018242900000000 ] - [ 0.0004470800000000, -0.0009226800000000, 0.0009425700000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003153900000000, -0.0001028600000000, -0.0001060500000000 ] - [ -0.0001734300000000, 0.0005127600000000, -0.0004350600000000 ] - [ -0.0011874100000000, -0.0008365100000000, -0.0013101200000000 ] - [ -0.0003741600000000, 0.0002589000000000, -0.0003152900000000 ] - [ -0.0006739600000000, 0.0009074600000000, 0.0039395400000000 ] - [ 0.0001049500000000, -0.0000501800000000, 0.0003428400000000 ] - [ -0.0020910100000000, 0.0004263500000000, 0.0025289900000000 ] - [ -0.0000370700000000, 0.0001529200000000, -0.0000582500000000 ] - [ -0.0154555000000000, -0.0032066200000000, 0.0029051100000000 ] - [ -0.0001754400000000, 0.0000548700000000, -0.0002381400000000 ] - [ -0.0004162200000000, -0.0005731300000000, 0.0008519900000000 ] - [ 0.0000131200000000, -0.0000359400000000, 0.0002008700000000 ] - [ -0.0020525200000000, 0.0011023100000000, -0.0010994000000000 ] - [ -0.0008653400000000, -0.0007933600000000, -0.0000886100000000 ] - [ 0.0001615100000000, 0.0002188400000000, 0.0001046300000000 ] - [ 0.0001716800000000, -0.0001186700000000, -0.0000607500000000 ] - [ -0.0001780800000000, -0.0008150600000000, -0.0007123900000000 ] - [ 0.0001919100000000, -0.0001786100000000, 0.0001627700000000 ] - [ -0.0016712800000000, 0.0003809300000000, -0.0032334500000000 ] - [ -0.0002235400000000, 0.0001733000000000, 0.0000513200000000 ] - [ -0.0002403900000000, -0.0007808200000000, 0.0013507800000000 ] - [ -0.0004077700000000, 0.0006468800000000, 0.0012603000000000 ] - [ -0.0004785000000000, -0.0008819600000000, 0.0001559000000000 ] - [ -0.0014022100000000, 0.0008331700000000, 0.0013190800000000 ] - [ -0.0008047200000000, -0.0023716900000000, 0.0004085500000000 ] - [ -0.0008311700000000, 0.0010384600000000, -0.0006010600000000 ] - [ -0.0001012700000000, -0.0001767900000000, 0.0002530600000000 ] - [ -0.0001065100000000, 0.0006129500000000, 0.0006541200000000 ] - [ -0.0057093800000000, 0.0010925700000000, -0.0022416900000000 ] - [ -0.0003425900000000, 0.0000338800000000, -0.0001296300000000 ] - [ -0.0042519700000000, 0.0100362400000000, 0.0032699800000000 ] - [ 0.0006139300000000, -0.0007938800000000, 0.0001383300000000 ] - [ 0.0005970200000000, 0.0000896000000000, -0.0002667500000000 ] - [ 0.0003155800000000, -0.0001758200000000, 0.0000369500000000 ] - [ -0.0006048800000000, 0.0008371400000000, -0.0003744000000000 ] - [ -0.0002658000000000, -0.0000853000000000, -0.0001461700000000 ] - [ 0.0001728800000000, -0.0041039700000000, 0.0028484300000000 ] - [ 0.0004917100000000, 0.0020880700000000, -0.0000035300000000 ] - [ -0.0004355500000000, -0.0012943500000000, 0.0009788700000000 ] - [ 0.0003149800000000, 0.0008909700000000, 0.0003978100000000 ] - [ -0.0030881100000000, 0.0096934600000000, 0.0069317300000000 ] - [ 0.0008902900000000, -0.0017122800000000, -0.0002370300000000 ] - [ -0.0004243600000000, 0.0010266000000000, 0.0007347700000000 ] - [ 0.0001188100000000, -0.0006495700000000, -0.0000452000000000 ] - [ -0.0011963900000000, -0.0012164800000000, -0.0004251600000000 ] - [ -0.0002929000000000, 0.0003168500000000, -0.0003092300000000 ] - [ -0.0007467100000000, -0.0004164700000000, -0.0007860800000000 ] - [ -0.0003353100000000, -0.0000736100000000, -0.0002697900000000 ] - [ 0.0857805300000000, -0.0048238400000000, -0.0601180600000000 ] - [ 0.0006239900000000, -0.0001934400000000, -0.0004637200000000 ] - [ 0.0006752700000000, -0.0004845800000000, 0.0013953900000000 ] - [ 0.0007441100000000, -0.0000788600000000, 0.0007070800000000 ] - [ -0.0010718300000000, -0.0000799800000000, 0.0005540100000000 ] - [ -0.0015948900000000, -0.0000971900000000, 0.0007463400000000 ] - [ -0.0002570200000000, -0.0001988500000000, -0.0000309100000000 ] - [ -0.0002578000000000, 0.0000200500000000, 0.0000208800000000 ] - [ -0.0010123800000000, -0.0001285600000000, -0.0001639000000000 ] - [ -0.0008199200000000, -0.0000740100000000, -0.0001626300000000 ] - [ -0.0011848500000000, 0.0001639500000000, 0.0002835900000000 ] - [ -0.0005090500000000, 0.0003635400000000, 0.0003923900000000 ] - [ 0.0026325200000000, -0.0004389000000000, -0.0032584600000000 ] - [ 0.0007039300000000, 0.0004268100000000, 0.0005919200000000 ] - [ 0.0027831600000000, 0.0022082800000000, 0.0071819900000000 ] - [ 0.0007167500000000, -0.0001457200000000, -0.0001898000000000 ] - [ 0.0009459400000000, -0.0086658400000000, -0.0046967100000000 ] - [ 0.0005184900000000, 0.0005910600000000, -0.0003500700000000 ] - [ 0.0009324200000000, -0.0005416200000000, 0.0003539800000000 ] - [ 0.0011475600000000, 0.0000797100000000, 0.0003688900000000 ] - [ -0.0035571400000000, 0.0001475100000000, 0.0005667500000000 ] - [ -0.0012264600000000, -0.0002402000000000, 0.0002144000000000 ] - [ -0.0005642600000000, 0.0003590100000000, 0.0002454900000000 ] - [ -0.0002042000000000, 0.0000669500000000, 0.0000904200000000 ] - [ -0.0010597900000000, -0.0001131500000000, 0.0001132200000000 ] - [ -0.0005792900000000, 0.0001650100000000, 0.0001022100000000 ] - [ -0.0037255800000000, -0.0016121200000000, -0.0010053000000000 ] - [ -0.0010334800000000, -0.0002019800000000, -0.0000145900000000 ] - [ 0.0020071800000000, -0.0005789000000000, 0.0002187500000000 ] - [ 0.0010308800000000, -0.0003775200000000, 0.0003939100000000 ] - [ -0.0014443900000000, 0.0005619700000000, -0.0004962600000000 ] - [ -0.0003375100000000, -0.0000870600000000, -0.0000665600000000 ] - [ -0.0013983400000000, -0.0019326700000000, 0.0013561600000000 ] - [ -0.0001955100000000, 0.0005120900000000, 0.0000471900000000 ] - [ 0.0004606300000000, -0.0004907400000000, -0.0002215500000000 ] - [ 0.0001470800000000, -0.0003842700000000, -0.0001683300000000 ] - [ -0.0011855100000000, 0.0000567000000000, -0.0007601600000000 ] - [ -0.0005226700000000, 0.0004088400000000, -0.0002873400000000 ] - [ 0.0019436600000000, -0.0007140300000000, -0.0003032900000000 ] - [ 0.0007331000000000, 0.0006490200000000, -0.0002337700000000 ] - [ 0.0001372900000000, -0.0000712500000000, -0.0005968300000000 ] - [ -0.0000401400000000, -0.0002998600000000, -0.0002839700000000 ] - [ 0.0012907400000000, 0.0006065500000000, -0.0003109300000000 ] - [ 0.0006916100000000, -0.0000881600000000, -0.0002038300000000 ] - [ -0.0004356500000000, -0.0000463700000000, -0.0001900000000000 ] - [ -0.0004240900000000, 0.0003290200000000, -0.0002608800000000 ] - [ -0.0043620200000000, -0.0013971200000000, -0.0003170600000000 ] - [ -0.0003004500000000, -0.0014148900000000, 0.0005385100000000 ] - [ -0.0014604400000000, 0.0011582300000000, -0.0009485500000000 ] - [ -0.0011572500000000, 0.0001348000000000, -0.0006531400000000 ] - [ 0.0039320900000000, 0.0008239100000000, -0.0002228200000000 ] - [ 0.0011934000000000, 0.0001351500000000, -0.0002004100000000 ] - [ 0.0017699800000000, 0.0000369500000000, 0.0003069500000000 ] - [ 0.0012735800000000, 0.0001260200000000, 0.0004366400000000 ] - [ 0.0009629100000000, -0.0005537800000000, 0.0023847900000000 ] - [ -0.0000464300000000, 0.0002261700000000, 0.0001056200000000 ] - [ 0.0035669700000000, 0.0009207000000000, 0.0025602800000000 ] - [ 0.0003273800000000, -0.0002300600000000, 0.0001471600000000 ] - [ 0.0005821200000000, 0.0013962000000000, -0.0007203100000000 ] - [ 0.0001098400000000, -0.0017926300000000, -0.0018685700000000 ] - [ -0.0242758200000000, 0.0000699200000000, 0.0058531400000000 ] - [ -0.0020133800000000, 0.0003512400000000, 0.0007177000000000 ] - [ 0.0014659700000000, 0.0042239900000000, -0.0009221200000000 ] - [ 0.0025066500000000, -0.0038604000000000, -0.0013462800000000 ] - [ 0.0059451000000000, 0.0075995500000000, 0.0075955000000000 ] - [ 0.0000347700000000, -0.0008448800000000, 0.0009165600000000 ] - [ 0.0011373400000000, 0.0011866600000000, -0.0001636400000000 ] - [ 0.0003015000000000, -0.0005625500000000, -0.0003071300000000 ] - [ 0.0095758600000000, -0.0021490200000000, -0.0009870300000000 ] - [ 0.0002130800000000, 0.0010905400000000, 0.0000519900000000 ] - [ -0.0456913700000000, -0.0031394500000000, 0.0345129300000000 ] - [ -0.0010695400000000, 0.0001005900000000, 0.0000570400000000 ] - [ 0.0015225600000000, 0.0008794000000000, -0.0056739900000000 ] - [ -0.0006930500000000, -0.0004542000000000, -0.0004557100000000 ] - [ 0.0018043300000000, 0.0006611500000000, 0.0002280900000000 ] - [ 0.0025973400000000, -0.0012817800000000, 0.0005896900000000 ] - [ 0.0015116400000000, 0.0008016600000000, 0.0010058500000000 ] - [ 0.0009636300000000, -0.0005787800000000, 0.0002245200000000 ] - [ -0.0002688100000000, -0.0009635800000000, -0.0018893400000000 ] - [ -0.0001661100000000, 0.0007923400000000, -0.0009974800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002794100000000, 0.0000355900000000, -0.0000441700000000 ] - [ 0.0000259000000000, 0.0003250700000000, -0.0002942100000000 ] - [ 0.0026166900000000, 0.0002502100000000, 0.0020021300000000 ] - [ -0.0007062400000000, 0.0000797600000000, -0.0007717900000000 ] - [ -0.0006872600000000, -0.0018831300000000, 0.0005360900000000 ] - [ -0.0001230900000000, 0.0011083500000000, 0.0004750000000000 ] - [ -0.0007297200000000, -0.0019938800000000, 0.0009072000000000 ] - [ 0.0000709200000000, 0.0009307500000000, -0.0005687800000000 ] - [ -0.0025341900000000, -0.0062666000000000, -0.0026229300000000 ] - [ -0.0001271900000000, 0.0015042700000000, 0.0001561600000000 ] - [ 0.0000932600000000, -0.0008157900000000, 0.0005751500000000 ] - [ 0.0001476100000000, 0.0004036100000000, -0.0000968500000000 ] - [ -0.0019622900000000, 0.0002687900000000, -0.0012597800000000 ] - [ 0.0008018100000000, 0.0002485200000000, 0.0001473000000000 ] - [ -0.0003694300000000, 0.0000640900000000, 0.0005719300000000 ] - [ 0.0002333600000000, 0.0003426800000000, 0.0002414800000000 ] - [ 0.0005390000000000, -0.0008431400000000, -0.0002316600000000 ] - [ 0.0002289100000000, 0.0002097900000000, 0.0004400800000000 ] - [ 0.0000418300000000, -0.0022057400000000, 0.0008779500000000 ] - [ -0.0002998400000000, 0.0011694500000000, -0.0003351000000000 ] - [ 0.0008999300000000, 0.0013833000000000, -0.0010513300000000 ] - [ -0.0017272800000000, 0.0007023300000000, 0.0029726300000000 ] - [ 0.0000290000000000, -0.0002409900000000, -0.0001494500000000 ] - [ -0.0015968800000000, 0.0004991900000000, 0.0016737100000000 ] - [ 0.0011723600000000, -0.0002090100000000, -0.0009839700000000 ] - [ -0.0022151200000000, 0.0020968200000000, -0.0015150700000000 ] - [ 0.0004237000000000, -0.0000000800000000, 0.0000625000000000 ] - [ 0.0000984800000000, 0.0005191100000000, 0.0006008800000000 ] - [ -0.0012154100000000, -0.0020369800000000, -0.0014760300000000 ] - [ 0.0000245200000000, 0.0008046200000000, 0.0003383000000000 ] - [ -0.0114508000000000, 0.0073376000000000, 0.0037842000000000 ] - [ 0.0007885900000000, 0.0018832900000000, -0.0004240900000000 ] - [ -0.0000096400000000, -0.0008184400000000, 0.0007794300000000 ] - [ 0.0002635500000000, 0.0004270900000000, -0.0001215900000000 ] - [ 0.0000546600000000, -0.0006989700000000, 0.0001569200000000 ] - [ -0.0001452000000000, 0.0011467800000000, 0.0001330800000000 ] - [ 0.0049253900000000, 0.0018921400000000, -0.0062881300000000 ] - [ 0.0004206200000000, 0.0045368400000000, 0.0001822500000000 ] - [ 0.0001021600000000, -0.0014057100000000, -0.0002582700000000 ] - [ 0.0000944200000000, 0.0011430600000000, 0.0003951800000000 ] - [ -0.0150731600000000, 0.0196640700000000, 0.0146961400000000 ] - [ 0.0001210600000000, 0.0022004400000000, -0.0007329200000000 ] - [ -0.0005194200000000, -0.0000048400000000, 0.0007186300000000 ] - [ -0.0000597400000000, 0.0003115600000000, -0.0003010900000000 ] - [ -0.0001168800000000, -0.0009155700000000, -0.0003361700000000 ] - [ 0.0002065500000000, 0.0009867000000000, -0.0003040200000000 ] - [ -0.0002769000000000, -0.0010229100000000, 0.0000945700000000 ] - [ -0.0001295500000000, 0.0007513700000000, -0.0002862700000000 ] - [ 0.0035561900000000, -0.1812805600000000, -0.1000592000000000 ] - [ -0.0000993500000000, 0.0014872500000000, 0.0002458000000000 ] - [ 0.0007679200000000, -0.0015407700000000, 0.0032112300000000 ] - [ 0.0003503000000000, 0.0005637000000000, 0.0001902600000000 ] - [ -0.0003774100000000, -0.0000506300000000, 0.0002233500000000 ] - [ -0.0003887300000000, 0.0001232400000000, 0.0001231900000000 ] - [ 0.0002956800000000, -0.0000012100000000, 0.0003149300000000 ] - [ 0.0000789500000000, -0.0000037300000000, 0.0003529000000000 ] - [ -0.0004021600000000, -0.0003066700000000, 0.0000618600000000 ] - [ -0.0000271400000000, -0.0001050600000000, 0.0000293400000000 ] - [ 0.0003734200000000, 0.0000749900000000, 0.0002884500000000 ] - [ -0.0000701600000000, 0.0002456400000000, 0.0000213000000000 ] - [ 0.0017230100000000, -0.0006777700000000, 0.0096184200000000 ] - [ 0.0001287700000000, 0.0011835900000000, 0.0003875700000000 ] - [ -0.0024706800000000, -0.0037301000000000, 0.0059364700000000 ] - [ 0.0003989900000000, 0.0005556400000000, -0.0005553900000000 ] - [ 0.0132306800000000, 0.0113154700000000, 0.0050989100000000 ] - [ -0.0007184200000000, 0.0018707200000000, -0.0003846600000000 ] - [ 0.0017201900000000, -0.0000449200000000, 0.0009753400000000 ] - [ 0.0005941300000000, 0.0002028100000000, 0.0002190300000000 ] - [ -0.0009054500000000, -0.0005006300000000, -0.0000224800000000 ] - [ -0.0005325800000000, 0.0001312000000000, 0.0000665700000000 ] - [ -0.0000481200000000, -0.0001838200000000, 0.0003629500000000 ] - [ 0.0004645700000000, 0.0006101100000000, 0.0000844400000000 ] - [ -0.0000282400000000, -0.0001028000000000, 0.0001852500000000 ] - [ 0.0001723400000000, 0.0004553800000000, 0.0000909500000000 ] - [ -0.0004005900000000, -0.0009622100000000, -0.0002082500000000 ] - [ -0.0006404400000000, 0.0002667500000000, -0.0001449000000000 ] - [ -0.0000083700000000, -0.0002148000000000, 0.0011452000000000 ] - [ 0.0000637300000000, 0.0003724200000000, 0.0001285600000000 ] - [ -0.0000102100000000, -0.0007866800000000, -0.0003071100000000 ] - [ -0.0000506300000000, 0.0004990300000000, 0.0001150300000000 ] - [ 0.0031937000000000, -0.0004766700000000, 0.0021403400000000 ] - [ -0.0001482900000000, -0.0023272800000000, -0.0001906200000000 ] - [ -0.0001385400000000, -0.0001539000000000, -0.0003695200000000 ] - [ -0.0001296000000000, -0.0006287600000000, -0.0001373600000000 ] - [ -0.0003728200000000, 0.0006690100000000, -0.0009994100000000 ] - [ -0.0002261300000000, -0.0000044900000000, -0.0002101900000000 ] - [ 0.0006921300000000, 0.0009046300000000, -0.0000599900000000 ] - [ 0.0001334400000000, -0.0001626500000000, -0.0001624500000000 ] - [ -0.0002294600000000, 0.0003210900000000, -0.0002006300000000 ] - [ -0.0000511600000000, -0.0007205700000000, -0.0004039000000000 ] - [ 0.0001923000000000, 0.0006904300000000, -0.0000886900000000 ] - [ 0.0004148600000000, -0.0003633300000000, -0.0001485800000000 ] - [ -0.0002590200000000, 0.0005826600000000, -0.0002112900000000 ] - [ -0.0004536900000000, -0.0001586800000000, -0.0003639600000000 ] - [ 0.0017118600000000, 0.0036982700000000, 0.0011503400000000 ] - [ 0.0003360200000000, -0.0018363600000000, 0.0004903400000000 ] - [ -0.0005492400000000, -0.0001064200000000, -0.0043188300000000 ] - [ 0.0001360700000000, -0.0008847800000000, -0.0002139300000000 ] - [ 0.0000130400000000, 0.0004859200000000, 0.0003050100000000 ] - [ 0.0003608600000000, -0.0000693700000000, 0.0002290800000000 ] - [ 0.0006807300000000, 0.0001959200000000, -0.0000621300000000 ] - [ 0.0000421100000000, -0.0003684300000000, 0.0001573600000000 ] - [ -0.0000681600000000, 0.0013930900000000, -0.0008322600000000 ] - [ 0.0001096600000000, -0.0012269600000000, 0.0002054800000000 ] - [ 0.0003652900000000, 0.0011395900000000, 0.0009254700000000 ] - [ -0.0001007900000000, -0.0011881000000000, -0.0002812500000000 ] - [ -0.0002004800000000, -0.0000600800000000, 0.0002359600000000 ] - [ -0.0001352500000000, -0.0011836400000000, -0.0021523000000000 ] - [ -0.0052867300000000, 0.1225265900000000, 0.0731121700000000 ] - [ -0.0004214900000000, -0.0025539400000000, 0.0008551200000000 ] - [ -0.0023034600000000, -0.0031707400000000, 0.0012988800000000 ] - [ 0.0048204200000000, -0.0073457800000000, -0.0021755500000000 ] - [ -0.0100339000000000, 0.0077586200000000, 0.0021093900000000 ] - [ 0.0008125000000000, -0.0028357900000000, 0.0016937900000000 ] - [ -0.0007223700000000, 0.0011900500000000, -0.0004136400000000 ] - [ -0.0000104400000000, -0.0009858700000000, -0.0003042200000000 ] - [ 0.0092118000000000, 0.0044254600000000, 0.0006358700000000 ] - [ -0.0015900800000000, -0.0013485700000000, 0.0003392700000000 ] - [ 0.0066886000000000, 0.0244452900000000, -0.0053380600000000 ] - [ -0.0000132100000000, -0.0048350400000000, -0.0001269900000000 ] - [ 0.0022695400000000, 0.0035214300000000, -0.0036315500000000 ] - [ -0.0003189000000000, -0.0019153000000000, 0.0004833700000000 ] - [ -0.0004069500000000, 0.0002704600000000, -0.0002736200000000 ] - [ 0.0009992700000000, -0.0004911600000000, 0.0008653000000000 ] - [ -0.0009505000000000, -0.0000093500000000, -0.0019731800000000 ] - [ 0.0009424500000000, 0.0000798000000000, 0.0001871100000000 ] - [ 0.0012216400000000, 0.0017212100000000, -0.0028502500000000 ] - [ 0.0004037200000000, -0.0019386200000000, 0.0002141800000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001522400000000, 0.0001678300000000, -0.0000524600000000 ] - [ 0.0001052500000000, -0.0001221300000000, 0.0001965300000000 ] - [ -0.0027679900000000, -0.0004534100000000, -0.0021153800000000 ] - [ 0.0005776800000000, -0.0002868800000000, 0.0006718000000000 ] - [ 0.0008390600000000, 0.0016671600000000, -0.0006732500000000 ] - [ 0.0002514000000000, -0.0013120400000000, -0.0005748100000000 ] - [ 0.0006157900000000, 0.0022114300000000, -0.0010190900000000 ] - [ -0.0001992700000000, -0.0007308900000000, 0.0004705000000000 ] - [ 0.0024307300000000, 0.0064808800000000, 0.0026260200000000 ] - [ -0.0001046300000000, -0.0013378600000000, -0.0001692500000000 ] - [ 0.0001389700000000, 0.0006555400000000, -0.0005974500000000 ] - [ 0.0000847200000000, -0.0005729300000000, 0.0000821800000000 ] - [ 0.0017535900000000, -0.0004381600000000, 0.0012612400000000 ] - [ -0.0010307000000000, -0.0004145800000000, -0.0001594900000000 ] - [ 0.0006027000000000, 0.0000996500000000, -0.0005881300000000 ] - [ -0.0000031300000000, -0.0001759700000000, -0.0002592200000000 ] - [ -0.0001685200000000, 0.0003940200000000, 0.0006374500000000 ] - [ 0.0001479400000000, -0.0006642000000000, -0.0000385200000000 ] - [ -0.0004146900000000, 0.0026736200000000, -0.0004602000000000 ] - [ -0.0000688700000000, -0.0007195200000000, 0.0007516200000000 ] - [ -0.0005250900000000, -0.0009207200000000, 0.0014536700000000 ] - [ 0.0020901900000000, -0.0002548800000000, -0.0025464200000000 ] - [ -0.0003993100000000, -0.0002096600000000, 0.0005601800000000 ] - [ 0.0012420600000000, -0.0009623100000000, -0.0012823200000000 ] - [ -0.0016936800000000, 0.0000308400000000, 0.0009913800000000 ] - [ 0.0016867300000000, -0.0022912800000000, 0.0014987600000000 ] - [ 0.0000974300000000, 0.0001950900000000, -0.0000781300000000 ] - [ 0.0004264500000000, -0.0003260400000000, -0.0006168600000000 ] - [ 0.0007023000000000, 0.0022493200000000, 0.0014836600000000 ] - [ -0.0005318400000000, -0.0006142300000000, -0.0003436800000000 ] - [ 0.0113102900000000, -0.0072058800000000, -0.0036701600000000 ] - [ -0.0011587200000000, -0.0015327900000000, 0.0006023100000000 ] - [ 0.0005252200000000, 0.0006258400000000, -0.0007899600000000 ] - [ 0.0002633800000000, -0.0006229600000000, 0.0001057800000000 ] - [ -0.0000914800000000, 0.0009116300000000, -0.0001660100000000 ] - [ 0.0000998400000000, -0.0009249500000000, -0.0001417900000000 ] - [ -0.0048816800000000, -0.0016230500000000, 0.0063587200000000 ] - [ -0.0003706000000000, -0.0043086100000000, -0.0001865900000000 ] - [ -0.0001465300000000, 0.0011956000000000, 0.0002472100000000 ] - [ -0.0001402900000000, -0.0013694500000000, -0.0004065300000000 ] - [ 0.0151694600000000, -0.0195307500000000, -0.0149288000000000 ] - [ 0.0001386700000000, -0.0022562000000000, 0.0003251700000000 ] - [ 0.0002589300000000, 0.0000733000000000, -0.0011450200000000 ] - [ -0.0002045000000000, -0.0002400000000000, -0.0001186000000000 ] - [ 0.0003834400000000, 0.0009851900000000, -0.0000800100000000 ] - [ 0.0000559500000000, -0.0009255400000000, -0.0001100800000000 ] - [ 0.0000205400000000, 0.0009650800000000, -0.0005087100000000 ] - [ -0.0001365900000000, -0.0008308400000000, -0.0001330500000000 ] - [ -0.0049557300000000, 0.1858954700000000, 0.1057744900000000 ] - [ -0.0004118600000000, -0.0015606000000000, 0.0002066700000000 ] - [ -0.0002686700000000, 0.0016269200000000, -0.0027970400000000 ] - [ 0.0001555400000000, -0.0004844800000000, 0.0002530300000000 ] - [ -0.0001316600000000, 0.0001122500000000, 0.0002357200000000 ] - [ -0.0001150300000000, -0.0000517000000000, 0.0003303500000000 ] - [ 0.0002149500000000, -0.0000755400000000, 0.0001339100000000 ] - [ 0.0004302900000000, -0.0000794300000000, 0.0000922700000000 ] - [ 0.0002464900000000, -0.0001550400000000, 0.0001954800000000 ] - [ -0.0001285400000000, -0.0003521000000000, 0.0002213500000000 ] - [ -0.0002136600000000, 0.0003820100000000, -0.0000463200000000 ] - [ 0.0002308000000000, 0.0002049600000000, 0.0002128100000000 ] - [ -0.0018814300000000, 0.0010786600000000, -0.0094737800000000 ] - [ -0.0002900300000000, -0.0007242200000000, -0.0001302700000000 ] - [ 0.0026227300000000, 0.0032927700000000, -0.0058520700000000 ] - [ -0.0002447200000000, -0.0010141600000000, 0.0008040600000000 ] - [ -0.0144752500000000, -0.0112231500000000, -0.0050109900000000 ] - [ -0.0002117300000000, -0.0015410700000000, 0.0005837300000000 ] - [ -0.0008154800000000, -0.0002988800000000, -0.0007946900000000 ] - [ 0.0003247200000000, -0.0005406800000000, -0.0000245600000000 ] - [ -0.0000182500000000, 0.0001710700000000, 0.0002228000000000 ] - [ -0.0004055000000000, -0.0004616300000000, 0.0001324800000000 ] - [ 0.0009739200000000, 0.0005207300000000, -0.0001689000000000 ] - [ 0.0004636900000000, -0.0002782100000000, 0.0001102100000000 ] - [ 0.0004072600000000, 0.0004604900000000, -0.0000112900000000 ] - [ 0.0002010200000000, -0.0001007200000000, 0.0000838200000000 ] - [ 0.0000581400000000, 0.0006294300000000, 0.0003980400000000 ] - [ 0.0002830300000000, -0.0006102800000000, 0.0003254600000000 ] - [ 0.0003877500000000, -0.0001466100000000, -0.0009802500000000 ] - [ 0.0003079500000000, -0.0007303800000000, 0.0000430100000000 ] - [ 0.0000507500000000, 0.0005773000000000, 0.0003009500000000 ] - [ 0.0000872600000000, -0.0007166200000000, -0.0001232200000000 ] - [ -0.0027261400000000, 0.0001455800000000, -0.0025847000000000 ] - [ 0.0006773900000000, 0.0019376600000000, -0.0002092200000000 ] - [ -0.0002165500000000, -0.0006560100000000, 0.0000046200000000 ] - [ -0.0002241600000000, -0.0001788600000000, -0.0002288500000000 ] - [ 0.0000231600000000, 0.0001391600000000, 0.0006425400000000 ] - [ -0.0001264000000000, 0.0008172000000000, -0.0001545900000000 ] - [ -0.0003487700000000, -0.0000829100000000, -0.0003091500000000 ] - [ 0.0002177000000000, 0.0009728400000000, -0.0002037900000000 ] - [ -0.0002966100000000, -0.0007211900000000, -0.0001918500000000 ] - [ -0.0004724000000000, 0.0003237000000000, 0.0000079000000000 ] - [ 0.0003307600000000, -0.0002967200000000, -0.0003119800000000 ] - [ 0.0001060100000000, 0.0007623400000000, -0.0002480300000000 ] - [ -0.0002614700000000, -0.0001900700000000, -0.0001829600000000 ] - [ -0.0000670900000000, 0.0005587000000000, -0.0000309300000000 ] - [ -0.0011115500000000, -0.0043472600000000, -0.0014152700000000 ] - [ 0.0000184200000000, 0.0010370400000000, -0.0008641700000000 ] - [ 0.0007285600000000, 0.0001771500000000, 0.0045766200000000 ] - [ 0.0000462900000000, 0.0009475900000000, 0.0004024300000000 ] - [ -0.0002102200000000, -0.0004334600000000, -0.0001203000000000 ] - [ -0.0005426300000000, 0.0001428200000000, -0.0000355500000000 ] - [ -0.0005107500000000, -0.0002544300000000, 0.0002563800000000 ] - [ 0.0001321400000000, 0.0003060200000000, 0.0000275800000000 ] - [ -0.0001942200000000, -0.0012233000000000, 0.0006996300000000 ] - [ -0.0003717100000000, 0.0014000000000000, -0.0003390000000000 ] - [ -0.0001119000000000, -0.0013146800000000, -0.0010657600000000 ] - [ 0.0003551900000000, 0.0010236700000000, 0.0001514400000000 ] - [ -0.0000619100000000, -0.0001099200000000, -0.0003641600000000 ] - [ -0.0001245800000000, 0.0010236000000000, 0.0020370900000000 ] - [ 0.0058330000000000, -0.1273415800000000, -0.0778087800000000 ] - [ 0.0002454000000000, 0.0024882400000000, -0.0006686500000000 ] - [ 0.0025333600000000, 0.0032975700000000, -0.0014668800000000 ] - [ -0.0045881900000000, 0.0075593000000000, 0.0020654700000000 ] - [ 0.0098089500000000, -0.0080086600000000, -0.0022567700000000 ] - [ -0.0010961100000000, 0.0027155900000000, -0.0017553500000000 ] - [ 0.0010195600000000, -0.0010697900000000, 0.0003622500000000 ] - [ 0.0002948900000000, 0.0011182800000000, 0.0002500400000000 ] - [ -0.0095945200000000, -0.0043370700000000, -0.0007131600000000 ] - [ 0.0013035900000000, 0.0014800700000000, -0.0003999400000000 ] - [ -0.0065576300000000, -0.0242022900000000, 0.0049319800000000 ] - [ -0.0000344400000000, 0.0049922000000000, -0.0000398100000000 ] - [ -0.0022303100000000, -0.0036988800000000, 0.0035147300000000 ] - [ 0.0003741300000000, 0.0017677500000000, -0.0006467600000000 ] - [ 0.0003505600000000, -0.0004273500000000, 0.0001038600000000 ] - [ -0.0010686300000000, 0.0003325300000000, -0.0010384100000000 ] - [ 0.0010059500000000, 0.0001619400000000, 0.0018167300000000 ] - [ -0.0008927500000000, 0.0000841100000000, -0.0003515300000000 ] - [ -0.0009527400000000, -0.0018334700000000, 0.0028051000000000 ] - [ -0.0001178000000000, 0.0018053900000000, -0.0002615500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003374300000000, 0.0002126700000000, -0.0001751500000000 ] - [ -0.0000552300000000, 0.0002144400000000, -0.0000947200000000 ] - [ 0.0014284500000000, 0.0003608700000000, 0.0006508700000000 ] - [ -0.0001098600000000, -0.0003154300000000, -0.0004343200000000 ] - [ -0.0037498600000000, 0.0007425200000000, 0.0054113800000000 ] - [ -0.0000158900000000, 0.0001915200000000, 0.0005139500000000 ] - [ -0.0040864900000000, 0.0005255100000000, 0.0000972700000000 ] - [ -0.0000925000000000, 0.0003871800000000, -0.0002976800000000 ] - [ -0.0061805800000000, -0.0032450100000000, -0.0064191000000000 ] - [ -0.0003624400000000, 0.0002687800000000, -0.0005776300000000 ] - [ -0.0006117300000000, -0.0010713100000000, 0.0018086900000000 ] - [ 0.0000049400000000, 0.0001306500000000, 0.0002691200000000 ] - [ -0.0015791100000000, 0.0002789300000000, -0.0012799500000000 ] - [ -0.0001126700000000, 0.0000388100000000, -0.0004394000000000 ] - [ -0.0004029100000000, 0.0000889000000000, 0.0009151400000000 ] - [ 0.0000358500000000, 0.0004925100000000, 0.0009728700000000 ] - [ 0.0008986000000000, -0.0006653200000000, 0.0001000300000000 ] - [ 0.0002278100000000, -0.0000220500000000, 0.0003195800000000 ] - [ 0.0025528700000000, 0.0000078700000000, 0.0005475300000000 ] - [ -0.0001590900000000, 0.0005298700000000, -0.0000475500000000 ] - [ -0.0013555400000000, -0.0016925100000000, 0.0020244000000000 ] - [ -0.0011196300000000, 0.0010940000000000, 0.0017093000000000 ] - [ -0.0005795600000000, -0.0009467800000000, -0.0002080700000000 ] - [ -0.0012873400000000, 0.0008525600000000, 0.0007928500000000 ] - [ -0.0006351600000000, -0.0009387500000000, -0.0025021200000000 ] - [ -0.0017047900000000, 0.0015987900000000, -0.0016233500000000 ] - [ 0.0000432900000000, -0.0000716600000000, 0.0009967600000000 ] - [ -0.0003830400000000, 0.0009333200000000, 0.0009686200000000 ] - [ -0.0004002100000000, -0.0011505500000000, -0.0024021200000000 ] - [ -0.0002763800000000, 0.0002736900000000, -0.0001473000000000 ] - [ -0.0062514700000000, 0.0070179800000000, -0.0026224600000000 ] - [ 0.0002069200000000, -0.0001970400000000, -0.0003950800000000 ] - [ 0.0002634100000000, -0.0010378200000000, 0.0020537400000000 ] - [ 0.0001911000000000, 0.0000479500000000, 0.0002865200000000 ] - [ 0.0001606300000000, -0.0006458500000000, 0.0003832000000000 ] - [ -0.0001766900000000, 0.0006263700000000, 0.0001855700000000 ] - [ -0.0088453700000000, -0.0117787000000000, 0.0032944100000000 ] - [ 0.0003818100000000, 0.0033262500000000, -0.0001440000000000 ] - [ -0.0019018600000000, -0.0026751600000000, 0.0019076200000000 ] - [ 0.0001655300000000, 0.0013533600000000, 0.0004122300000000 ] - [ -0.0097225600000000, 0.0142628500000000, 0.0052648800000000 ] - [ 0.0003348000000000, -0.0020210800000000, -0.0013808200000000 ] - [ -0.0023594900000000, 0.0024700300000000, 0.0018554200000000 ] - [ -0.0000155800000000, -0.0006524100000000, 0.0001734100000000 ] - [ -0.0001794700000000, -0.0004249100000000, -0.0004762100000000 ] - [ -0.0000260500000000, 0.0004809100000000, -0.0003522500000000 ] - [ -0.0000420400000000, -0.0001541700000000, 0.0003890400000000 ] - [ -0.0002280100000000, 0.0002348200000000, -0.0001065300000000 ] - [ 0.0602023100000000, -0.1013222300000000, -0.1927559000000000 ] - [ 0.0004291300000000, -0.0000094500000000, -0.0007518000000000 ] - [ 0.0014317700000000, -0.0029706000000000, 0.0083751300000000 ] - [ 0.0007284600000000, 0.0000728800000000, 0.0008573600000000 ] - [ -0.0005944700000000, 0.0000459300000000, 0.0001207700000000 ] - [ -0.0007864200000000, 0.0001353900000000, 0.0000990900000000 ] - [ 0.0000421000000000, 0.0000859100000000, 0.0004837700000000 ] - [ -0.0000059200000000, 0.0000565500000000, 0.0004923300000000 ] - [ -0.0005580600000000, -0.0001811800000000, 0.0000232300000000 ] - [ -0.0005145100000000, -0.0001708100000000, -0.0000159700000000 ] - [ -0.0000963800000000, 0.0001472600000000, 0.0001543900000000 ] - [ -0.0001300200000000, 0.0001814500000000, 0.0001408400000000 ] - [ 0.0019603200000000, 0.0059114800000000, 0.0227938200000000 ] - [ 0.0005760200000000, 0.0006229900000000, 0.0006812500000000 ] - [ -0.0078055700000000, 0.0057523300000000, 0.0248865400000000 ] - [ 0.0004788200000000, 0.0000231100000000, -0.0002744600000000 ] - [ 0.0096786300000000, 0.0087793000000000, -0.0027640800000000 ] - [ 0.0002679900000000, 0.0001669200000000, -0.0008244200000000 ] - [ 0.0035528700000000, 0.0004611500000000, 0.0028731800000000 ] - [ 0.0011206200000000, 0.0000979100000000, 0.0006375200000000 ] - [ -0.0019670100000000, -0.0000832500000000, -0.0004052100000000 ] - [ -0.0009081600000000, -0.0000819900000000, -0.0000095200000000 ] - [ -0.0006270700000000, 0.0001878900000000, 0.0007342300000000 ] - [ -0.0002005100000000, 0.0001291300000000, 0.0003872400000000 ] - [ -0.0004272700000000, -0.0000691400000000, 0.0003930500000000 ] - [ -0.0003130700000000, 0.0003038900000000, 0.0002423100000000 ] - [ -0.0014729900000000, -0.0010279800000000, -0.0010544300000000 ] - [ -0.0007925000000000, -0.0000680100000000, -0.0002555600000000 ] - [ -0.0005440100000000, 0.0007894200000000, 0.0026380200000000 ] - [ 0.0007464900000000, -0.0003104000000000, 0.0007792200000000 ] - [ -0.0002267900000000, -0.0005132300000000, -0.0003372300000000 ] - [ -0.0001867800000000, 0.0002355200000000, -0.0000673200000000 ] - [ -0.0023473900000000, 0.0024024600000000, 0.0021964400000000 ] - [ -0.0002036600000000, -0.0015108200000000, 0.0002441600000000 ] - [ 0.0001684900000000, -0.0003321900000000, -0.0004513600000000 ] - [ 0.0000090300000000, -0.0004879500000000, -0.0002338300000000 ] - [ -0.0014064700000000, -0.0002704900000000, -0.0026760500000000 ] - [ -0.0003725400000000, 0.0002089600000000, -0.0006065100000000 ] - [ 0.0011018200000000, 0.0001484100000000, 0.0000633200000000 ] - [ 0.0004885100000000, 0.0003157400000000, -0.0000557600000000 ] - [ 0.0003053300000000, -0.0000003700000000, -0.0007987200000000 ] - [ 0.0000137700000000, -0.0004512000000000, -0.0004409900000000 ] - [ 0.0008853600000000, 0.0006417400000000, 0.0001324400000000 ] - [ 0.0005387000000000, -0.0001590300000000, -0.0000696800000000 ] - [ -0.0007647200000000, 0.0006012700000000, -0.0011181700000000 ] - [ -0.0005367500000000, -0.0001854700000000, -0.0004546500000000 ] - [ 0.0009123600000000, 0.0013329000000000, 0.0042445400000000 ] - [ -0.0001219300000000, -0.0011938800000000, 0.0006703100000000 ] - [ -0.0010174400000000, -0.0008597900000000, -0.0126744400000000 ] - [ -0.0009324500000000, 0.0000255400000000, -0.0009849700000000 ] - [ 0.0014061600000000, 0.0003582300000000, 0.0003672400000000 ] - [ 0.0006920000000000, 0.0000495800000000, 0.0003232700000000 ] - [ 0.0011781900000000, -0.0000800500000000, -0.0001649300000000 ] - [ 0.0010396300000000, -0.0002062100000000, -0.0000697700000000 ] - [ -0.0010133200000000, 0.0010809100000000, -0.0023257300000000 ] - [ 0.0000958000000000, -0.0004454800000000, -0.0002514300000000 ] - [ 0.0003031600000000, 0.0006768400000000, 0.0011506300000000 ] - [ 0.0002164300000000, -0.0006173000000000, 0.0000696000000000 ] - [ 0.0015830200000000, 0.0019987000000000, -0.0014037000000000 ] - [ 0.0009491300000000, -0.0028233500000000, -0.0011930600000000 ] - [ -0.0103825300000000, 0.0670619900000000, 0.0746951000000000 ] - [ -0.0010319200000000, 0.0001492500000000, 0.0011156500000000 ] - [ 0.0064418300000000, 0.0067128800000000, 0.0044894700000000 ] - [ 0.0039886600000000, -0.0057597100000000, -0.0015282900000000 ] - [ -0.0076142700000000, 0.0049008500000000, 0.0086178100000000 ] - [ -0.0002817000000000, -0.0010203800000000, 0.0022002800000000 ] - [ -0.0014797500000000, 0.0013978800000000, -0.0020241200000000 ] - [ 0.0000579800000000, -0.0007085500000000, -0.0009881100000000 ] - [ 0.0076226300000000, 0.0000007400000000, 0.0038540800000000 ] - [ 0.0000226200000000, 0.0001821200000000, 0.0009712000000000 ] - [ -0.0310382400000000, -0.0021555200000000, 0.0652072200000000 ] - [ -0.0006254100000000, -0.0009135900000000, 0.0004386800000000 ] - [ 0.0115644900000000, 0.0041988300000000, -0.0124558800000000 ] - [ -0.0004570900000000, -0.0010326200000000, -0.0004968400000000 ] - [ 0.0004259700000000, -0.0000663400000000, 0.0004363500000000 ] - [ 0.0013606100000000, -0.0003161200000000, 0.0008056100000000 ] - [ -0.0000896000000000, -0.0004262100000000, -0.0014723600000000 ] - [ 0.0006957800000000, 0.0003823100000000, -0.0005874000000000 ] - [ 0.0023088100000000, -0.0000507400000000, -0.0047899700000000 ] - [ 0.0000580700000000, 0.0005297500000000, -0.0024326600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002028700000000, -0.0000052500000000, 0.0000677000000000 ] - [ 0.0001850200000000, -0.0000062300000000, -0.0000089500000000 ] - [ -0.0015410000000000, -0.0005596000000000, -0.0007356700000000 ] - [ -0.0000208600000000, 0.0001125100000000, 0.0003352300000000 ] - [ 0.0038701500000000, -0.0009558300000000, -0.0055199100000000 ] - [ 0.0001433900000000, -0.0003931900000000, -0.0006117100000000 ] - [ 0.0039705600000000, -0.0003424400000000, -0.0001702100000000 ] - [ -0.0000373800000000, -0.0001806400000000, 0.0002008600000000 ] - [ 0.0059605600000000, 0.0033917200000000, 0.0063087300000000 ] - [ 0.0001312000000000, -0.0000974600000000, 0.0005616800000000 ] - [ 0.0008477100000000, 0.0008998800000000, -0.0018178300000000 ] - [ 0.0002257500000000, -0.0002957400000000, -0.0002820600000000 ] - [ 0.0013353400000000, -0.0004370500000000, 0.0012550500000000 ] - [ -0.0001188900000000, -0.0002060700000000, 0.0004235400000000 ] - [ 0.0006240100000000, 0.0000822100000000, -0.0009208200000000 ] - [ 0.0001915100000000, -0.0003231100000000, -0.0009806000000000 ] - [ -0.0005218200000000, 0.0002031400000000, 0.0002992100000000 ] - [ 0.0001439000000000, -0.0004316500000000, 0.0000861900000000 ] - [ -0.0029218600000000, 0.0004349800000000, -0.0001211700000000 ] - [ -0.0002071200000000, -0.0000688500000000, 0.0004578500000000 ] - [ 0.0017161600000000, 0.0021408400000000, -0.0016076600000000 ] - [ 0.0014768000000000, -0.0006314300000000, -0.0012902300000000 ] - [ 0.0002108700000000, 0.0004948200000000, 0.0006243900000000 ] - [ 0.0009030200000000, -0.0012992000000000, -0.0003669500000000 ] - [ 0.0001162000000000, 0.0007520100000000, 0.0024748700000000 ] - [ 0.0011754900000000, -0.0017804200000000, 0.0015986900000000 ] - [ 0.0004756200000000, 0.0002699800000000, -0.0010012800000000 ] - [ 0.0009027400000000, -0.0007367400000000, -0.0009749000000000 ] - [ -0.0001485200000000, 0.0013427700000000, 0.0023676900000000 ] - [ -0.0002312900000000, -0.0000800000000000, 0.0001390300000000 ] - [ 0.0058123300000000, -0.0066234600000000, 0.0028578700000000 ] - [ -0.0005775400000000, 0.0005499200000000, 0.0005717600000000 ] - [ 0.0002462600000000, 0.0008386300000000, -0.0020544300000000 ] - [ 0.0003281700000000, -0.0002434600000000, -0.0002941200000000 ] - [ -0.0001984000000000, 0.0008643900000000, -0.0003879200000000 ] - [ 0.0001406500000000, -0.0004021300000000, -0.0001925500000000 ] - [ 0.0088083900000000, 0.0118266800000000, -0.0032616200000000 ] - [ -0.0003374700000000, -0.0030793100000000, 0.0001367100000000 ] - [ 0.0018725400000000, 0.0024659400000000, -0.0019098400000000 ] - [ -0.0002017600000000, -0.0015689300000000, -0.0004150700000000 ] - [ 0.0098866000000000, -0.0141140000000000, -0.0056987700000000 ] - [ -0.0000690900000000, 0.0019388200000000, 0.0009509900000000 ] - [ 0.0021093900000000, -0.0024260100000000, -0.0022673700000000 ] - [ -0.0002496300000000, 0.0007303100000000, -0.0005909400000000 ] - [ 0.0004403500000000, 0.0004882000000000, 0.0000515400000000 ] - [ 0.0002926400000000, -0.0004070200000000, -0.0000718400000000 ] - [ -0.0002252500000000, 0.0000756500000000, -0.0008042000000000 ] - [ -0.0000363900000000, -0.0002992700000000, -0.0003107500000000 ] - [ -0.0580338600000000, 0.1044870800000000, 0.1908648200000000 ] - [ -0.0009321100000000, -0.0000540800000000, 0.0011979300000000 ] - [ -0.0009166100000000, 0.0030319300000000, -0.0079027500000000 ] - [ -0.0002189900000000, -0.0000015700000000, -0.0004019300000000 ] - [ 0.0000861700000000, 0.0000288500000000, 0.0003250800000000 ] - [ 0.0002755800000000, -0.0000647600000000, 0.0003530900000000 ] - [ 0.0004645900000000, -0.0001564900000000, -0.0000309600000000 ] - [ 0.0005149900000000, -0.0001133600000000, -0.0000293700000000 ] - [ 0.0003987100000000, -0.0002689200000000, 0.0002017500000000 ] - [ 0.0003536400000000, -0.0002840900000000, 0.0002611800000000 ] - [ 0.0002553700000000, 0.0003087900000000, 0.0000960400000000 ] - [ 0.0002898100000000, 0.0002804000000000, 0.0001210100000000 ] - [ -0.0019913600000000, -0.0053463800000000, -0.0221198500000000 ] - [ -0.0007295400000000, -0.0001649300000000, -0.0004374100000000 ] - [ 0.0080121500000000, -0.0063219800000000, -0.0250380900000000 ] - [ -0.0003206500000000, -0.0004787000000000, 0.0005257200000000 ] - [ -0.0105858400000000, -0.0084590500000000, 0.0030189900000000 ] - [ -0.0011903500000000, 0.0001706400000000, 0.0010183900000000 ] - [ -0.0025888000000000, -0.0007742900000000, -0.0026547600000000 ] - [ -0.0001838400000000, -0.0004211500000000, -0.0004388800000000 ] - [ 0.0010309100000000, -0.0002492000000000, 0.0006064000000000 ] - [ -0.0000138700000000, -0.0002523000000000, 0.0002079000000000 ] - [ 0.0015636100000000, 0.0001309800000000, -0.0005337800000000 ] - [ 0.0011267400000000, 0.0001946800000000, -0.0001889200000000 ] - [ 0.0007827900000000, 0.0004084000000000, -0.0002127800000000 ] - [ 0.0006811500000000, 0.0000529900000000, -0.0000671900000000 ] - [ 0.0011071200000000, 0.0006723100000000, 0.0012321200000000 ] - [ 0.0004120200000000, -0.0002896700000000, 0.0004290500000000 ] - [ 0.0008946700000000, -0.0011291700000000, -0.0024441300000000 ] - [ -0.0003791800000000, -0.0000443300000000, -0.0006007400000000 ] - [ 0.0002583900000000, 0.0002899200000000, 0.0003222100000000 ] - [ 0.0002145000000000, -0.0004495700000000, 0.0000549600000000 ] - [ 0.0028382200000000, -0.0027650500000000, -0.0026166700000000 ] - [ 0.0007247900000000, 0.0010999800000000, -0.0006382900000000 ] - [ -0.0005239100000000, -0.0004753300000000, 0.0000818400000000 ] - [ -0.0003619300000000, -0.0003228400000000, -0.0001322100000000 ] - [ 0.0010566900000000, 0.0010874500000000, 0.0023038500000000 ] - [ 0.0000191200000000, 0.0005979400000000, 0.0002380100000000 ] - [ -0.0007514500000000, 0.0006683300000000, -0.0004264600000000 ] - [ -0.0001355600000000, 0.0004926000000000, -0.0003079800000000 ] - [ -0.0008239500000000, -0.0003943400000000, 0.0004035200000000 ] - [ -0.0005352100000000, 0.0000515700000000, 0.0000455600000000 ] - [ -0.0003601000000000, -0.0002429200000000, -0.0005296200000000 ] - [ -0.0000125000000000, 0.0005520200000000, -0.0003271400000000 ] - [ 0.0002365800000000, -0.0001986700000000, 0.0007242800000000 ] - [ 0.0000117800000000, 0.0005775200000000, 0.0000599700000000 ] - [ -0.0005445300000000, -0.0021095600000000, -0.0046002600000000 ] - [ 0.0004736000000000, 0.0003754800000000, -0.0010279200000000 ] - [ 0.0011986200000000, 0.0008956500000000, 0.0127935300000000 ] - [ 0.0011032200000000, 0.0000420300000000, 0.0011779100000000 ] - [ -0.0015863400000000, -0.0002937300000000, -0.0001776300000000 ] - [ -0.0008648900000000, 0.0000130000000000, -0.0001337500000000 ] - [ -0.0009945400000000, 0.0000136100000000, 0.0003583100000000 ] - [ -0.0008561100000000, 0.0001324100000000, 0.0002611500000000 ] - [ 0.0007518200000000, -0.0009000600000000, 0.0021656000000000 ] - [ -0.0003573700000000, 0.0006121900000000, 0.0001130600000000 ] - [ -0.0000321500000000, -0.0008359400000000, -0.0012558900000000 ] - [ 0.0000442300000000, 0.0004377400000000, -0.0002037700000000 ] - [ -0.0018503400000000, -0.0021760300000000, 0.0012543800000000 ] - [ -0.0012212600000000, 0.0026548800000000, 0.0010280900000000 ] - [ 0.0105667000000000, -0.0706317600000000, -0.0761244900000000 ] - [ 0.0008435900000000, -0.0002212300000000, -0.0009182500000000 ] - [ -0.0061472300000000, -0.0065347000000000, -0.0046000300000000 ] - [ -0.0037167800000000, 0.0059215100000000, 0.0013919000000000 ] - [ 0.0072578100000000, -0.0050165500000000, -0.0086833400000000 ] - [ -0.0000041600000000, 0.0008843400000000, -0.0022494600000000 ] - [ 0.0017395600000000, -0.0012630100000000, 0.0019705400000000 ] - [ 0.0002231700000000, 0.0008322600000000, 0.0009317500000000 ] - [ -0.0078237900000000, 0.0001524100000000, -0.0039313900000000 ] - [ -0.0003037300000000, -0.0000555000000000, -0.0010325900000000 ] - [ 0.0280045500000000, 0.0024345400000000, -0.0614491100000000 ] - [ 0.0005707100000000, 0.0010598600000000, -0.0005983600000000 ] - [ -0.0115591100000000, -0.0043464300000000, 0.0122651500000000 ] - [ 0.0005089000000000, 0.0008642000000000, 0.0003260400000000 ] - [ -0.0004765900000000, -0.0000872600000000, -0.0005921000000000 ] - [ -0.0014030300000000, 0.0001520000000000, -0.0009578700000000 ] - [ 0.0001411900000000, 0.0005832000000000, 0.0012877000000000 ] - [ -0.0006364300000000, -0.0002249400000000, 0.0004152000000000 ] - [ -0.0019951700000000, -0.0000777800000000, 0.0047127700000000 ] - [ 0.0002292900000000, -0.0006570200000000, 0.0023691300000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0158567600000000, 0.0020785500000000, -0.0070218200000000 ] - [ 0.0000251300000000, 0.0002830500000000, -0.0005383300000000 ] - [ -0.0001891900000000, -0.0002938400000000, 0.0001476000000000 ] - [ -0.0003901500000000, 0.0003658700000000, 0.0002269600000000 ] - [ 0.0026202400000000, -0.0012612400000000, -0.0014330300000000 ] - [ 0.0003396400000000, 0.0004112400000000, 0.0001110300000000 ] - [ 0.0003862800000000, 0.0003087800000000, 0.0002071200000000 ] - [ 0.0002949600000000, -0.0001095900000000, 0.0002516800000000 ] - [ 0.0004413000000000, -0.0009715400000000, -0.0008347300000000 ] - [ 0.0000681300000000, 0.0007640800000000, -0.0000990100000000 ] - [ 0.0007349000000000, 0.0004790500000000, -0.0008065500000000 ] - [ 0.0002319000000000, -0.0003198800000000, -0.0002214500000000 ] - [ 0.0000662100000000, 0.0000470900000000, 0.0002788900000000 ] - [ 0.0037189900000000, -0.0016862900000000, 0.0040963500000000 ] - [ 0.0006546200000000, 0.0012388200000000, 0.0016924300000000 ] - [ 0.0001583700000000, -0.0002057000000000, -0.0000919900000000 ] - [ 0.0010483700000000, 0.0018228200000000, -0.0004080900000000 ] - [ 0.0006153600000000, -0.0014549900000000, -0.0006962900000000 ] - [ -0.0001206400000000, -0.0004059700000000, 0.0008532600000000 ] - [ -0.0001212000000000, 0.0004565700000000, 0.0003123900000000 ] - [ 0.0002310200000000, -0.0000463100000000, 0.0002103900000000 ] - [ 0.0067733500000000, 0.0012871300000000, 0.0002666300000000 ] - [ 0.0001251700000000, -0.0004864300000000, 0.0005652200000000 ] - [ -0.0000732000000000, -0.0000959500000000, 0.0004397600000000 ] - [ -0.0003522400000000, -0.0004101700000000, -0.0000637000000000 ] - [ 0.0009983700000000, 0.0018738600000000, -0.0026440300000000 ] - [ 0.0007342400000000, 0.0000161400000000, -0.0021321800000000 ] - [ 0.0002502200000000, 0.0001216300000000, -0.0000757900000000 ] - [ 0.0012757700000000, 0.0018167700000000, 0.0012539600000000 ] - [ 0.0004779300000000, -0.0006063800000000, 0.0005652900000000 ] - [ 0.0009427600000000, 0.0001610700000000, 0.0002843600000000 ] - [ 0.0015043800000000, -0.0002080600000000, 0.0003581600000000 ] - [ 0.0020962700000000, -0.0010700500000000, 0.0019134800000000 ] - [ 0.0004318900000000, 0.0002381700000000, -0.0000932000000000 ] - [ -0.0004335500000000, -0.0002063300000000, 0.0013685700000000 ] - [ -0.0003174900000000, 0.0005481100000000, 0.0000212000000000 ] - [ 0.0004612200000000, -0.0004106300000000, -0.0001967100000000 ] - [ 0.0012945800000000, 0.0016753600000000, -0.0004776200000000 ] - [ 0.0006813900000000, 0.0002141000000000, -0.0002146200000000 ] - [ 0.0002613800000000, -0.0000448400000000, 0.0000228800000000 ] - [ 0.0014587100000000, -0.0007800300000000, -0.0009970200000000 ] - [ 0.0004420900000000, -0.0001581800000000, -0.0002594300000000 ] - [ 0.0002018500000000, 0.0001501700000000, -0.0002175200000000 ] - [ 0.0005263400000000, -0.0005833800000000, -0.0003338800000000 ] - [ 0.0070036500000000, 0.0093388400000000, 0.0057507700000000 ] - [ -0.0001826300000000, -0.0019708100000000, -0.0000731000000000 ] - [ -0.0007998100000000, -0.0016967000000000, 0.0004272900000000 ] - [ -0.0000604100000000, 0.0011925900000000, 0.0004186900000000 ] - [ 0.0006801900000000, -0.0003642500000000, -0.0002545900000000 ] - [ 0.0004896400000000, 0.0000118500000000, -0.0002088400000000 ] - [ 0.0015143000000000, 0.0003284300000000, 0.0004034900000000 ] - [ 0.0008394800000000, -0.0001253600000000, 0.0004476500000000 ] - [ -0.0029266800000000, -0.0017590300000000, 0.0021468100000000 ] - [ -0.0010316400000000, -0.0001646900000000, 0.0008712500000000 ] - [ -0.0003848000000000, -0.0003460500000000, -0.0001649300000000 ] - [ -0.0025322300000000, 0.0024981100000000, 0.0080552400000000 ] - [ -0.1484974700000000, 0.0224911100000000, -0.0586971100000000 ] - [ -0.0009452000000000, -0.0000339400000000, -0.0005687300000000 ] - [ -0.0007936600000000, 0.0002655000000000, 0.0007681900000000 ] - [ -0.0013615400000000, 0.0006749300000000, 0.0026817100000000 ] - [ 0.0018550500000000, 0.0004861500000000, 0.0007197100000000 ] - [ 0.0006787200000000, 0.0004327200000000, 0.0004657400000000 ] - [ 0.0008484000000000, -0.0001508200000000, -0.0001351500000000 ] - [ 0.0008452400000000, -0.0001663000000000, -0.0001923900000000 ] - [ 0.0003763300000000, -0.0000617800000000, -0.0001162500000000 ] - [ 0.0010741100000000, 0.0005364900000000, -0.0004174400000000 ] - [ 0.0050996100000000, 0.0012941000000000, -0.0009064100000000 ] - [ 0.0012816800000000, -0.0002096200000000, 0.0000953300000000 ] - [ -0.0012973700000000, 0.0005891800000000, 0.0008498200000000 ] - [ -0.0015842600000000, -0.0004528000000000, 0.0011532100000000 ] - [ 0.0111785700000000, -0.0083609600000000, 0.0136411900000000 ] - [ -0.0002197400000000, 0.0004963100000000, -0.0000540000000000 ] - [ -0.0048333800000000, 0.0027383200000000, -0.0040806100000000 ] - [ -0.0007709900000000, 0.0000034900000000, -0.0001956100000000 ] - [ -0.0015129700000000, -0.0007091900000000, 0.0000043000000000 ] - [ -0.0018269000000000, -0.0002193700000000, 0.0001316500000000 ] - [ 0.0035138300000000, -0.0006573200000000, 0.0003459800000000 ] - [ 0.0009609500000000, -0.0002475100000000, 0.0001347000000000 ] - [ -0.0008163900000000, 0.0020134000000000, -0.0000412800000000 ] - [ 0.0037764300000000, -0.0059883900000000, 0.0021999400000000 ] - [ -0.0001850500000000, -0.0001501600000000, -0.0000324900000000 ] - [ 0.0000752500000000, -0.0002226300000000, -0.0001470900000000 ] - [ 0.0003645800000000, -0.0007646500000000, 0.0000613800000000 ] - [ 0.0009778200000000, -0.0004694800000000, 0.0001070300000000 ] - [ -0.0007453600000000, 0.0007004500000000, -0.0002771600000000 ] - [ -0.0009257100000000, 0.0000743900000000, -0.0003898100000000 ] - [ 0.0026657400000000, 0.0001275700000000, 0.0013056700000000 ] - [ 0.0007038200000000, 0.0003154600000000, -0.0002129400000000 ] - [ -0.0001445700000000, 0.0015715900000000, -0.0002037400000000 ] - [ -0.0008371500000000, -0.0025767700000000, -0.0012055500000000 ] - [ 0.0004036000000000, 0.0001873000000000, -0.0012827300000000 ] - [ 0.0004176600000000, 0.0002987400000000, -0.0004603500000000 ] - [ -0.0006893000000000, -0.0001031100000000, -0.0000407600000000 ] - [ -0.0016587400000000, 0.0013233000000000, 0.0004447300000000 ] - [ -0.0010371500000000, -0.0005402900000000, -0.0004041700000000 ] - [ -0.0003184500000000, -0.0003496100000000, -0.0001634500000000 ] - [ -0.0046623500000000, -0.0004921000000000, -0.0006712700000000 ] - [ -0.0012136500000000, 0.0001381800000000, -0.0003081300000000 ] - [ 0.0019548000000000, 0.0001682100000000, -0.0008099600000000 ] - [ 0.0023691400000000, 0.0018849100000000, -0.0025122500000000 ] - [ 0.0258566300000000, 0.0006634400000000, -0.0049094400000000 ] - [ 0.0015117100000000, 0.0000729300000000, 0.0009573200000000 ] - [ 0.0002074500000000, 0.0018289800000000, -0.0033422800000000 ] - [ -0.0003139100000000, -0.0009485600000000, -0.0003801300000000 ] - [ -0.0024564400000000, -0.0069933600000000, 0.0019844600000000 ] - [ -0.0030274400000000, 0.0037144900000000, -0.0003648000000000 ] - [ -0.0017486300000000, 0.0002394900000000, 0.0006854900000000 ] - [ -0.0003674300000000, -0.0002187500000000, -0.0001591700000000 ] - [ -0.0016590000000000, 0.0003518700000000, 0.0004913800000000 ] - [ -0.0021008600000000, 0.0001097200000000, 0.0005088400000000 ] - [ 0.0000385900000000, 0.0006099200000000, 0.0000854600000000 ] - [ -0.0043002000000000, -0.0014501700000000, 0.0034446700000000 ] - [ 0.0003792600000000, 0.0013798300000000, 0.0003073400000000 ] - [ 0.0001442100000000, -0.0021570400000000, 0.0015768900000000 ] - [ -0.0021405000000000, -0.0083610600000000, 0.0095603200000000 ] - [ 0.0003974200000000, 0.0008066600000000, 0.0011493300000000 ] - [ -0.0007481600000000, -0.0012102000000000, -0.0015860900000000 ] - [ -0.0014256800000000, 0.0016825400000000, -0.0023406700000000 ] - [ -0.0035028500000000, 0.0013986500000000, 0.0014772200000000 ] - [ -0.0013662100000000, -0.0012370300000000, 0.0000664600000000 ] - [ -0.0018716300000000, -0.0007948100000000, 0.0002097000000000 ] - [ -0.0011920700000000, 0.0004287900000000, -0.0001213200000000 ] - [ 0.0949024000000000, -0.0151082300000000, 0.0349934600000000 ] - [ 0.0010142300000000, -0.0002960300000000, 0.0000462000000000 ] - [ 0.0010848700000000, 0.0010603100000000, -0.0002854100000000 ] - [ 0.0004278200000000, -0.0016305900000000, -0.0047409200000000 ] - [ -0.0112313300000000, -0.0010711400000000, -0.0031965300000000 ] - [ -0.0000977000000000, -0.0002412400000000, -0.0001115700000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0161280600000000, -0.0018924800000000, 0.0071403500000000 ] - [ 0.0001035900000000, -0.0000752400000000, 0.0004439800000000 ] - [ 0.0000583500000000, 0.0000899400000000, -0.0002511100000000 ] - [ 0.0002585700000000, -0.0005779100000000, -0.0003376700000000 ] - [ -0.0025024200000000, 0.0010565300000000, 0.0013450300000000 ] - [ -0.0002146200000000, -0.0006194500000000, -0.0002082800000000 ] - [ -0.0005173600000000, -0.0001030100000000, -0.0003111800000000 ] - [ -0.0004274800000000, 0.0003178300000000, -0.0003555400000000 ] - [ -0.0006729300000000, 0.0011392800000000, 0.0008198100000000 ] - [ -0.0002996400000000, -0.0005955300000000, 0.0000854400000000 ] - [ -0.0004775600000000, -0.0006477500000000, 0.0007850900000000 ] - [ 0.0000009500000000, 0.0001521300000000, 0.0002107300000000 ] - [ -0.0002975700000000, -0.0002138200000000, -0.0002944000000000 ] - [ -0.0039662600000000, 0.0015218200000000, -0.0041250200000000 ] - [ -0.0004454800000000, -0.0010704900000000, -0.0017031900000000 ] - [ 0.0000711600000000, 0.0003764200000000, 0.0000807000000000 ] - [ -0.0006764500000000, -0.0022936800000000, 0.0008357800000000 ] - [ -0.0002472900000000, 0.0010155000000000, 0.0011158200000000 ] - [ -0.0002512600000000, 0.0008650600000000, -0.0004483500000000 ] - [ -0.0002509900000000, -0.0000023100000000, 0.0000926600000000 ] - [ 0.0001370500000000, 0.0005021300000000, 0.0002039600000000 ] - [ -0.0063469000000000, -0.0008208600000000, 0.0001646600000000 ] - [ -0.0004969600000000, 0.0000315100000000, -0.0001642500000000 ] - [ -0.0002977000000000, -0.0003583700000000, -0.0000329900000000 ] - [ -0.0001636600000000, 0.0002173300000000, 0.0000514800000000 ] - [ -0.0015120700000000, -0.0020673900000000, 0.0026322000000000 ] - [ -0.0002060000000000, 0.0001685400000000, 0.0021347400000000 ] - [ 0.0002666200000000, 0.0000764900000000, 0.0000673700000000 ] - [ -0.0018026900000000, -0.0016306000000000, -0.0012713100000000 ] - [ -0.0009960800000000, 0.0008067200000000, -0.0005796000000000 ] - [ -0.0013200700000000, 0.0001983500000000, -0.0001116200000000 ] - [ -0.0018910100000000, 0.0005701600000000, -0.0001876900000000 ] - [ -0.0015844400000000, 0.0008790200000000, -0.0019302400000000 ] - [ 0.0000838800000000, -0.0004385700000000, 0.0000849800000000 ] - [ 0.0003847700000000, 0.0004446800000000, -0.0013905500000000 ] - [ 0.0002882500000000, -0.0003325600000000, -0.0000330200000000 ] - [ -0.0004287300000000, 0.0006348100000000, 0.0001875000000000 ] - [ -0.0012652800000000, -0.0014567700000000, 0.0004668400000000 ] - [ -0.0007211100000000, -0.0004409900000000, 0.0002052100000000 ] - [ -0.0002969700000000, -0.0001709600000000, -0.0000316600000000 ] - [ -0.0011995300000000, 0.0007112900000000, 0.0005813800000000 ] - [ -0.0001779200000000, 0.0000877100000000, -0.0001605500000000 ] - [ -0.0004635200000000, -0.0000780200000000, -0.0002014700000000 ] - [ -0.0007868100000000, 0.0006556300000000, -0.0000809800000000 ] - [ -0.0068087800000000, -0.0094710900000000, -0.0062836700000000 ] - [ 0.0004488000000000, 0.0020648500000000, -0.0003479600000000 ] - [ 0.0005356900000000, 0.0016337800000000, -0.0008495000000000 ] - [ -0.0002153000000000, -0.0012882300000000, -0.0008498700000000 ] - [ -0.0011906900000000, 0.0002851500000000, 0.0007014200000000 ] - [ -0.0009996500000000, -0.0000891400000000, 0.0006551900000000 ] - [ -0.0010092100000000, -0.0002573400000000, 0.0000472900000000 ] - [ -0.0003314000000000, 0.0001765100000000, 0.0000186400000000 ] - [ 0.0024636900000000, 0.0018485900000000, -0.0018126500000000 ] - [ 0.0005275200000000, 0.0002369600000000, -0.0004229200000000 ] - [ 0.0008954200000000, 0.0002843400000000, 0.0006219100000000 ] - [ 0.0029584300000000, -0.0025986000000000, -0.0077644000000000 ] - [ 0.1531760400000000, -0.0245088000000000, 0.0633230200000000 ] - [ 0.0007966200000000, -0.0004203300000000, 0.0008159000000000 ] - [ 0.0009557700000000, 0.0001897500000000, -0.0005281100000000 ] - [ 0.0015281500000000, -0.0002259800000000, -0.0024775900000000 ] - [ -0.0020177500000000, -0.0000316100000000, -0.0004692800000000 ] - [ -0.0008398000000000, 0.0000146300000000, -0.0002441200000000 ] - [ -0.0006926800000000, -0.0003081600000000, 0.0003903300000000 ] - [ -0.0006933500000000, -0.0002927000000000, 0.0004480700000000 ] - [ -0.0013035300000000, 0.0004008000000000, 0.0003128400000000 ] - [ -0.0019996100000000, -0.0001961800000000, 0.0006141300000000 ] - [ -0.0042095300000000, -0.0016486700000000, 0.0011153100000000 ] - [ -0.0003322900000000, -0.0001088700000000, 0.0001059100000000 ] - [ 0.0003716800000000, -0.0009321400000000, -0.0006577600000000 ] - [ 0.0006687100000000, 0.0001205500000000, -0.0009679300000000 ] - [ -0.0102567800000000, 0.0085917400000000, -0.0133590900000000 ] - [ 0.0011527000000000, -0.0001660600000000, 0.0002546900000000 ] - [ 0.0053607900000000, -0.0023500800000000, 0.0042124800000000 ] - [ 0.0011450600000000, 0.0003489500000000, 0.0003760400000000 ] - [ 0.0011504300000000, 0.0003545700000000, 0.0001704100000000 ] - [ 0.0014626700000000, -0.0001363300000000, 0.0000380800000000 ] - [ -0.0031556900000000, 0.0002995300000000, -0.0001667600000000 ] - [ -0.0006145500000000, -0.0000884200000000, 0.0000489400000000 ] - [ 0.0008596900000000, -0.0022488500000000, 0.0000373900000000 ] - [ -0.0037827800000000, 0.0059180300000000, -0.0022265400000000 ] - [ 0.0007123100000000, -0.0002467500000000, -0.0003608200000000 ] - [ 0.0004521900000000, -0.0001749400000000, -0.0002485600000000 ] - [ -0.0007169100000000, -0.0000539300000000, -0.0004157900000000 ] - [ -0.0013402300000000, -0.0003312000000000, -0.0004669000000000 ] - [ 0.0003993500000000, 0.0001059500000000, -0.0000831500000000 ] - [ 0.0005821200000000, 0.0007368600000000, 0.0000279700000000 ] - [ -0.0023001200000000, 0.0006368000000000, -0.0017546500000000 ] - [ -0.0003573400000000, 0.0004925300000000, -0.0001463200000000 ] - [ -0.0003759300000000, -0.0019778700000000, -0.0001941600000000 ] - [ 0.0003228500000000, 0.0021860800000000, 0.0008054000000000 ] - [ 0.0001216800000000, 0.0002105500000000, 0.0008976800000000 ] - [ 0.0001078200000000, 0.0000947200000000, 0.0000654800000000 ] - [ 0.0001678300000000, 0.0004976200000000, -0.0003545400000000 ] - [ 0.0011441600000000, -0.0009357800000000, -0.0008463300000000 ] - [ 0.0013933000000000, -0.0002635200000000, 0.0000468300000000 ] - [ 0.0006697200000000, -0.0004591900000000, -0.0001954100000000 ] - [ 0.0048627500000000, 0.0005623700000000, 0.0008583900000000 ] - [ 0.0014066000000000, -0.0000768300000000, 0.0005051400000000 ] - [ -0.0021488000000000, -0.0001006200000000, 0.0010128100000000 ] - [ -0.0025676300000000, -0.0018413000000000, 0.0027394000000000 ] - [ -0.0256325800000000, -0.0004325700000000, 0.0042796300000000 ] - [ -0.0013380600000000, -0.0001447900000000, -0.0007726400000000 ] - [ -0.0004632300000000, -0.0016750700000000, 0.0032120100000000 ] - [ 0.0000569600000000, 0.0011358200000000, 0.0002447600000000 ] - [ 0.0027402800000000, 0.0068585200000000, -0.0021631000000000 ] - [ 0.0033192900000000, -0.0039107000000000, 0.0002262500000000 ] - [ 0.0014878100000000, -0.0004036300000000, -0.0008268200000000 ] - [ 0.0001053300000000, 0.0000429600000000, 0.0000229400000000 ] - [ 0.0014847800000000, -0.0004156500000000, -0.0003033500000000 ] - [ 0.0019316600000000, -0.0001780400000000, -0.0003176400000000 ] - [ 0.0002270600000000, -0.0004417100000000, -0.0002285200000000 ] - [ 0.0045733200000000, 0.0016190300000000, -0.0035840500000000 ] - [ -0.0006642600000000, -0.0015120600000000, -0.0003578900000000 ] - [ -0.0004297600000000, 0.0020361700000000, -0.0016287600000000 ] - [ 0.0023235400000000, 0.0086166200000000, -0.0097180300000000 ] - [ -0.0001183000000000, -0.0006873800000000, -0.0012194100000000 ] - [ 0.0004664200000000, 0.0013418200000000, 0.0015377900000000 ] - [ 0.0011528700000000, -0.0015687300000000, 0.0023114100000000 ] - [ 0.0034601600000000, -0.0012386300000000, -0.0016492200000000 ] - [ 0.0013207600000000, 0.0013957500000000, -0.0002341600000000 ] - [ 0.0019189000000000, 0.0006389600000000, -0.0003682800000000 ] - [ 0.0012516100000000, -0.0005908000000000, -0.0000427700000000 ] - [ -0.0995643700000000, 0.0163236300000000, -0.0384519200000000 ] - [ -0.0010729500000000, 0.0001301900000000, -0.0002144100000000 ] - [ -0.0010346100000000, -0.0009088200000000, 0.0001229400000000 ] - [ -0.0003219100000000, 0.0017985400000000, 0.0046664700000000 ] - [ 0.0115715000000000, 0.0009604300000000, 0.0031118300000000 ] - [ 0.0003871900000000, 0.0001153200000000, 0.0000476000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0032997300000000, -0.0063268100000000, 0.0033911400000000 ] - [ 0.0001232700000000, 0.0010526000000000, -0.0001407500000000 ] - [ -0.0001024900000000, 0.0002961100000000, 0.0000164200000000 ] - [ 0.0002363300000000, -0.0006096800000000, -0.0005728200000000 ] - [ -0.0012813600000000, -0.0000335100000000, 0.0008018200000000 ] - [ 0.0001933000000000, 0.0001282000000000, 0.0000103400000000 ] - [ 0.0000403600000000, 0.0001897500000000, -0.0000850000000000 ] - [ -0.0004788200000000, 0.0002212200000000, -0.0006473900000000 ] - [ -0.0006625200000000, 0.0003872800000000, 0.0003405000000000 ] - [ 0.0003214000000000, 0.0003040600000000, 0.0000971500000000 ] - [ 0.0019668600000000, 0.0001340800000000, -0.0010423300000000 ] - [ -0.0001754700000000, 0.0000272100000000, 0.0003610300000000 ] - [ -0.0003086800000000, 0.0009649500000000, -0.0003226000000000 ] - [ -0.0015145300000000, -0.0015839900000000, -0.0007658500000000 ] - [ 0.0005382000000000, -0.0014594600000000, -0.0009409600000000 ] - [ 0.0000326000000000, 0.0006070500000000, 0.0001822200000000 ] - [ 0.0012259500000000, -0.0004088300000000, 0.0001449100000000 ] - [ -0.0008890100000000, 0.0014519600000000, 0.0018783100000000 ] - [ -0.0001410200000000, 0.0002617700000000, -0.0000042400000000 ] - [ -0.0000193400000000, 0.0004378600000000, 0.0000256800000000 ] - [ 0.0001542500000000, 0.0007581400000000, 0.0000263300000000 ] - [ 0.0005448200000000, -0.0018123200000000, 0.0013088300000000 ] - [ -0.0005138200000000, -0.0007643200000000, -0.0005656100000000 ] - [ -0.0001808700000000, 0.0001767900000000, 0.0003322400000000 ] - [ -0.0003465100000000, 0.0003329300000000, -0.0001222000000000 ] - [ 0.0008780500000000, -0.0006311800000000, -0.0001603500000000 ] - [ 0.0008610400000000, -0.0011734400000000, -0.0004293600000000 ] - [ 0.0001903500000000, 0.0005834400000000, 0.0002665200000000 ] - [ 0.0007090400000000, 0.0011890100000000, 0.0007509000000000 ] - [ -0.0019633700000000, 0.0004974900000000, -0.0012940100000000 ] - [ -0.0001835100000000, 0.0004744100000000, 0.0001212800000000 ] - [ -0.0005820100000000, 0.0000228500000000, -0.0001035200000000 ] - [ -0.0008807200000000, 0.0002003000000000, -0.0013036600000000 ] - [ 0.0003741700000000, 0.0001310500000000, -0.0000714700000000 ] - [ 0.0005725200000000, -0.0015228900000000, -0.0006085000000000 ] - [ -0.0000728500000000, 0.0007222900000000, -0.0000084900000000 ] - [ -0.0000134400000000, 0.0006746600000000, 0.0000381100000000 ] - [ -0.0000324300000000, -0.0002632600000000, 0.0001860200000000 ] - [ -0.0000840100000000, -0.0008405700000000, -0.0001910700000000 ] - [ -0.0000048800000000, 0.0004380000000000, 0.0000284700000000 ] - [ 0.0002453900000000, -0.0009141400000000, -0.0000251600000000 ] - [ -0.0000066500000000, 0.0005962300000000, -0.0001993000000000 ] - [ -0.0001600400000000, 0.0007780500000000, -0.0002554400000000 ] - [ -0.0000736000000000, -0.0005127900000000, -0.0003353200000000 ] - [ 0.0099349000000000, 0.0021061900000000, 0.0069320700000000 ] - [ 0.0002492200000000, 0.0037058400000000, -0.0004758500000000 ] - [ -0.0000984700000000, 0.0007674500000000, -0.0007025400000000 ] - [ 0.0004003100000000, 0.0003584500000000, -0.0001177200000000 ] - [ -0.0003469200000000, -0.0001132900000000, 0.0002686700000000 ] - [ -0.0004050400000000, 0.0000956300000000, 0.0002898600000000 ] - [ 0.0003204600000000, -0.0001149700000000, 0.0003005600000000 ] - [ 0.0001247500000000, 0.0000590600000000, 0.0002734700000000 ] - [ -0.0009095200000000, -0.0008512100000000, -0.0054292400000000 ] - [ -0.0000521200000000, 0.0009813000000000, -0.0001613200000000 ] - [ 0.0003385800000000, 0.0007438800000000, 0.0004696200000000 ] - [ 0.0026792800000000, -0.0035510200000000, 0.0062449300000000 ] - [ 0.0233312200000000, -0.0659621800000000, 0.0701779000000000 ] - [ 0.0001121600000000, 0.0005142200000000, 0.0002363800000000 ] - [ 0.0001121100000000, 0.0006173700000000, 0.0000799700000000 ] - [ 0.0005267200000000, 0.0001791000000000, -0.0006128800000000 ] - [ -0.0003373300000000, 0.0000266600000000, 0.0001651600000000 ] - [ -0.0002875400000000, 0.0003285700000000, 0.0001327100000000 ] - [ 0.0000165000000000, -0.0002020400000000, 0.0000995100000000 ] - [ -0.0000010700000000, -0.0001991900000000, -0.0000355500000000 ] - [ -0.0005854200000000, 0.0003614200000000, 0.0001388100000000 ] - [ -0.0003569600000000, 0.0000858300000000, 0.0000153500000000 ] - [ -0.0002676700000000, -0.0009239600000000, 0.0003916600000000 ] - [ 0.0001663600000000, 0.0002433600000000, 0.0002523300000000 ] - [ -0.0004749900000000, 0.0003636800000000, 0.0003153000000000 ] - [ -0.0009221400000000, 0.0000129500000000, -0.0008503800000000 ] - [ -0.0095231800000000, 0.0012168000000000, -0.0083882200000000 ] - [ 0.0007873400000000, 0.0007861700000000, 0.0003000300000000 ] - [ 0.0092116200000000, 0.0021582300000000, -0.0080511600000000 ] - [ 0.0003648400000000, 0.0009866000000000, 0.0003530300000000 ] - [ -0.0001364700000000, 0.0003181300000000, 0.0003960900000000 ] - [ 0.0007822400000000, 0.0001068800000000, -0.0004209400000000 ] - [ -0.0001410900000000, -0.0006111100000000, 0.0001058900000000 ] - [ -0.0000044300000000, 0.0000926300000000, 0.0001457500000000 ] - [ 0.0002234400000000, 0.0016297100000000, 0.0002451500000000 ] - [ -0.0117104300000000, 0.0106432100000000, -0.0043084000000000 ] - [ 0.0002660300000000, 0.0001348800000000, -0.0001652000000000 ] - [ 0.0002761500000000, -0.0004618400000000, -0.0001836300000000 ] - [ -0.0003187200000000, -0.0014316500000000, 0.0002518300000000 ] - [ 0.0001083300000000, -0.0004281500000000, -0.0006798200000000 ] - [ -0.0000519200000000, 0.0000957800000000, -0.0001771200000000 ] - [ -0.0001061600000000, 0.0006044600000000, -0.0001327600000000 ] - [ -0.0001857500000000, 0.0033646100000000, -0.0009103800000000 ] - [ -0.0000869900000000, -0.0001796400000000, -0.0000477700000000 ] - [ 0.0002135200000000, -0.0015138600000000, 0.0000163200000000 ] - [ -0.0021475300000000, -0.0010850500000000, -0.0015996700000000 ] - [ 0.0004005200000000, 0.0009758500000000, -0.0005126000000000 ] - [ 0.0002948900000000, -0.0002767300000000, 0.0000665900000000 ] - [ -0.0003524600000000, -0.0002137500000000, -0.0001935300000000 ] - [ 0.0001195800000000, 0.0004176200000000, -0.0005018100000000 ] - [ 0.0002319900000000, 0.0000638400000000, -0.0002412600000000 ] - [ 0.0003654800000000, -0.0008169700000000, -0.0001291300000000 ] - [ 0.0006472900000000, 0.0006934700000000, 0.0002479000000000 ] - [ 0.0005035200000000, -0.0002350700000000, -0.0000472000000000 ] - [ -0.0001858400000000, -0.0009442100000000, 0.0001360000000000 ] - [ -0.0008867700000000, -0.0019385000000000, 0.0026072100000000 ] - [ -0.0028762900000000, 0.0358747300000000, -0.0485352300000000 ] - [ -0.0003570100000000, -0.0014069600000000, -0.0002644600000000 ] - [ -0.0006932700000000, 0.0000265300000000, 0.0021809000000000 ] - [ -0.0002921400000000, -0.0005572800000000, -0.0000143100000000 ] - [ -0.0024286600000000, -0.0036653500000000, 0.0003264300000000 ] - [ 0.0050568700000000, -0.0055653900000000, 0.0000133800000000 ] - [ -0.0000477200000000, 0.0008205900000000, 0.0006686000000000 ] - [ -0.0000382700000000, -0.0009687400000000, -0.0002085500000000 ] - [ -0.0000392000000000, -0.0001641800000000, 0.0000768700000000 ] - [ 0.0002431900000000, -0.0001183200000000, 0.0002383400000000 ] - [ 0.0002442100000000, -0.0008158000000000, 0.0000170100000000 ] - [ -0.0005476600000000, 0.0012936900000000, -0.0009045800000000 ] - [ 0.0000560900000000, -0.0009324100000000, -0.0002994800000000 ] - [ -0.0014465300000000, 0.0000362500000000, 0.0005803900000000 ] - [ -0.0071285700000000, 0.0062127300000000, -0.0022555400000000 ] - [ 0.0002053100000000, -0.0018659700000000, -0.0013579300000000 ] - [ -0.0001629000000000, -0.0013419300000000, -0.0004503300000000 ] - [ 0.0013802800000000, 0.0011831800000000, 0.0019371000000000 ] - [ 0.0010816500000000, 0.0003597200000000, -0.0009001100000000 ] - [ -0.0001789300000000, -0.0002553600000000, -0.0002562800000000 ] - [ -0.0008765300000000, -0.0000893400000000, 0.0004810000000000 ] - [ 0.0006216100000000, -0.0001085300000000, 0.0001805800000000 ] - [ -0.0127744400000000, 0.0230198900000000, -0.0073845000000000 ] - [ -0.0002761800000000, -0.0040329800000000, -0.0001689200000000 ] - [ 0.0000213100000000, -0.0014288700000000, -0.0002524800000000 ] - [ -0.0027025500000000, 0.0021113400000000, 0.0001277000000000 ] - [ 0.0065081900000000, 0.0044851500000000, -0.0001678500000000 ] - [ -0.0000145200000000, -0.0010743500000000, -0.0001005500000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0034778900000000, 0.0065295800000000, -0.0034977400000000 ] - [ 0.0000037400000000, -0.0008420600000000, 0.0000452300000000 ] - [ -0.0000255400000000, -0.0005029300000000, -0.0001156500000000 ] - [ -0.0003648400000000, 0.0004024900000000, 0.0004741300000000 ] - [ 0.0014149600000000, -0.0001717600000000, -0.0009022000000000 ] - [ -0.0000643800000000, -0.0003376900000000, -0.0001081900000000 ] - [ -0.0001689600000000, 0.0000165100000000, -0.0000123800000000 ] - [ 0.0003502000000000, -0.0000155700000000, 0.0005473100000000 ] - [ 0.0004363400000000, -0.0002192800000000, -0.0003573500000000 ] - [ -0.0005514200000000, -0.0001367300000000, -0.0001124700000000 ] - [ -0.0017395300000000, -0.0003014800000000, 0.0010275900000000 ] - [ 0.0004029100000000, -0.0001971100000000, -0.0003740500000000 ] - [ 0.0000766400000000, -0.0011300900000000, 0.0003056600000000 ] - [ 0.0013060500000000, 0.0014068500000000, 0.0007679900000000 ] - [ -0.0003121400000000, 0.0016330100000000, 0.0009292200000000 ] - [ 0.0001965200000000, -0.0004393900000000, -0.0001965900000000 ] - [ -0.0008588600000000, -0.0000416400000000, 0.0002643100000000 ] - [ 0.0012428300000000, -0.0019049600000000, -0.0014514200000000 ] - [ -0.0002241500000000, 0.0001977800000000, 0.0004177800000000 ] - [ -0.0003461000000000, 0.0000189600000000, 0.0003890600000000 ] - [ 0.0002117900000000, -0.0003003200000000, 0.0003870600000000 ] - [ -0.0001858600000000, 0.0022740400000000, -0.0009024300000000 ] - [ 0.0001515100000000, 0.0003054900000000, 0.0009817200000000 ] - [ -0.0001843100000000, -0.0006354300000000, 0.0000799300000000 ] - [ -0.0001674000000000, -0.0005287500000000, 0.0001112400000000 ] - [ -0.0013887800000000, 0.0004320700000000, 0.0001540100000000 ] - [ -0.0003421200000000, 0.0013719000000000, 0.0004090100000000 ] - [ 0.0003252000000000, -0.0003860300000000, -0.0002745800000000 ] - [ -0.0012182100000000, -0.0009891000000000, -0.0007571400000000 ] - [ 0.0014368600000000, -0.0003039100000000, 0.0012704400000000 ] - [ -0.0001904900000000, -0.0001148500000000, 0.0000539500000000 ] - [ 0.0002259500000000, 0.0003153700000000, 0.0002841500000000 ] - [ 0.0013988700000000, -0.0003967800000000, 0.0012973400000000 ] - [ 0.0001430200000000, -0.0003284400000000, 0.0000604300000000 ] - [ -0.0006152400000000, 0.0017484900000000, 0.0006006000000000 ] - [ 0.0000351600000000, -0.0005034400000000, 0.0000001200000000 ] - [ 0.0000504300000000, -0.0004537800000000, -0.0000471400000000 ] - [ 0.0000617200000000, 0.0004764300000000, -0.0001946400000000 ] - [ 0.0000420500000000, 0.0006187700000000, 0.0001834600000000 ] - [ -0.0000318600000000, -0.0006558400000000, -0.0000372600000000 ] - [ 0.0000165100000000, 0.0008505400000000, -0.0003935100000000 ] - [ 0.0002769500000000, -0.0006671200000000, -0.0002261100000000 ] - [ -0.0001074700000000, -0.0007083100000000, -0.0001686500000000 ] - [ -0.0001912000000000, 0.0005851100000000, -0.0000888900000000 ] - [ -0.0097381100000000, -0.0020490300000000, -0.0074422600000000 ] - [ 0.0000267600000000, -0.0036138200000000, 0.0000433100000000 ] - [ -0.0001685200000000, -0.0008368000000000, 0.0002793900000000 ] - [ -0.0006711300000000, -0.0004393700000000, -0.0003069600000000 ] - [ -0.0001598300000000, 0.0000357700000000, 0.0001783400000000 ] - [ -0.0001047500000000, -0.0001502700000000, 0.0001713700000000 ] - [ 0.0001888600000000, 0.0001839500000000, 0.0001509200000000 ] - [ 0.0003833800000000, 0.0000175300000000, 0.0001746500000000 ] - [ 0.0004181700000000, 0.0009025900000000, 0.0058264800000000 ] - [ -0.0004571400000000, -0.0009243900000000, 0.0006212300000000 ] - [ 0.0001683600000000, -0.0008202000000000, -0.0000225300000000 ] - [ -0.0021946500000000, 0.0034799600000000, -0.0058256300000000 ] - [ -0.0236358300000000, 0.0652768300000000, -0.0704088900000000 ] - [ -0.0002675700000000, -0.0009715100000000, 0.0000245100000000 ] - [ 0.0000448300000000, -0.0001671500000000, 0.0001487600000000 ] - [ -0.0003743000000000, 0.0002751900000000, 0.0008499700000000 ] - [ 0.0001845400000000, 0.0004304200000000, 0.0000804400000000 ] - [ 0.0001295000000000, 0.0001304400000000, 0.0001223500000000 ] - [ 0.0001414800000000, -0.0002566100000000, 0.0001548600000000 ] - [ 0.0001578700000000, -0.0002522200000000, 0.0002646800000000 ] - [ -0.0003366000000000, -0.0000348900000000, 0.0000574500000000 ] - [ -0.0005903500000000, 0.0002224900000000, 0.0001842100000000 ] - [ 0.0012146500000000, 0.0006043200000000, -0.0001991200000000 ] - [ 0.0007562400000000, -0.0005700600000000, -0.0000545200000000 ] - [ -0.0004736400000000, -0.0006790200000000, -0.0001148100000000 ] - [ -0.0000017400000000, -0.0003468300000000, 0.0010409300000000 ] - [ 0.0105654400000000, -0.0009355700000000, 0.0086922000000000 ] - [ 0.0001332600000000, -0.0004539800000000, -0.0001023700000000 ] - [ -0.0089248900000000, -0.0018251500000000, 0.0083202600000000 ] - [ 0.0000138900000000, -0.0006233000000000, -0.0001766600000000 ] - [ -0.0002190300000000, -0.0006648300000000, -0.0002181500000000 ] - [ -0.0011540300000000, -0.0004642600000000, 0.0005956300000000 ] - [ 0.0005097500000000, 0.0002623200000000, 0.0000722600000000 ] - [ 0.0003794500000000, -0.0004507300000000, 0.0000306700000000 ] - [ -0.0001975500000000, -0.0018437000000000, -0.0002556200000000 ] - [ 0.0116064500000000, -0.0106783400000000, 0.0042356100000000 ] - [ 0.0002586600000000, -0.0005325100000000, -0.0002303500000000 ] - [ 0.0002483300000000, 0.0000642200000000, -0.0002110800000000 ] - [ -0.0000326100000000, 0.0006221100000000, -0.0006155800000000 ] - [ -0.0004617500000000, -0.0003757700000000, 0.0003137000000000 ] - [ -0.0003009100000000, 0.0007130700000000, -0.0001870600000000 ] - [ -0.0002455200000000, 0.0002054000000000, -0.0002310800000000 ] - [ 0.0005770300000000, -0.0025762600000000, 0.0004905100000000 ] - [ 0.0004378200000000, 0.0009896300000000, -0.0003152200000000 ] - [ -0.0007398000000000, 0.0011191500000000, -0.0004160600000000 ] - [ 0.0016189600000000, 0.0006911900000000, 0.0011986400000000 ] - [ 0.0001228600000000, -0.0005803100000000, 0.0001149800000000 ] - [ 0.0002300000000000, 0.0006722400000000, -0.0004602200000000 ] - [ -0.0001713100000000, 0.0006077100000000, -0.0002029900000000 ] - [ -0.0006450800000000, -0.0000141400000000, 0.0001082600000000 ] - [ 0.0001195900000000, -0.0008714100000000, -0.0001240400000000 ] - [ -0.0000126000000000, 0.0000071400000000, -0.0002345800000000 ] - [ -0.0004750800000000, -0.0006355000000000, -0.0000586500000000 ] - [ -0.0003250800000000, 0.0002969900000000, 0.0002358900000000 ] - [ 0.0000085200000000, 0.0010124200000000, 0.0000614500000000 ] - [ 0.0007054900000000, 0.0020097500000000, -0.0024165900000000 ] - [ 0.0031924400000000, -0.0355197100000000, 0.0492927900000000 ] - [ 0.0005337300000000, 0.0013367900000000, 0.0004541100000000 ] - [ 0.0004304000000000, 0.0001384900000000, -0.0023276800000000 ] - [ 0.0000270000000000, 0.0007342500000000, -0.0001269100000000 ] - [ 0.0026953000000000, 0.0034732800000000, -0.0004504000000000 ] - [ -0.0047785800000000, 0.0053853100000000, -0.0001619700000000 ] - [ -0.0002188800000000, -0.0009882400000000, -0.0008020200000000 ] - [ -0.0002236400000000, 0.0007952600000000, 0.0000702600000000 ] - [ -0.0001401000000000, 0.0001023800000000, 0.0001175000000000 ] - [ -0.0004230900000000, 0.0000533700000000, -0.0000419300000000 ] - [ 0.0000190600000000, 0.0009885100000000, -0.0001576600000000 ] - [ 0.0008108500000000, -0.0011209500000000, 0.0007661500000000 ] - [ -0.0003431300000000, 0.0008064100000000, 0.0002451600000000 ] - [ 0.0011628000000000, -0.0001605200000000, -0.0006375100000000 ] - [ 0.0074196300000000, -0.0061319600000000, 0.0022363600000000 ] - [ 0.0000808900000000, 0.0019903100000000, 0.0012930300000000 ] - [ -0.0001191700000000, 0.0014651600000000, 0.0003907700000000 ] - [ -0.0016634200000000, -0.0010451700000000, -0.0019850600000000 ] - [ -0.0011413000000000, -0.0002057600000000, 0.0007352600000000 ] - [ 0.0001257900000000, 0.0004164500000000, 0.0000915400000000 ] - [ 0.0009290800000000, -0.0000725500000000, -0.0006426900000000 ] - [ -0.0005670300000000, -0.0000462400000000, -0.0003462100000000 ] - [ 0.0128155000000000, -0.0233777300000000, 0.0071763500000000 ] - [ 0.0002245400000000, 0.0038672800000000, 0.0000028100000000 ] - [ 0.0000305000000000, 0.0015872000000000, 0.0000859100000000 ] - [ 0.0027847100000000, -0.0019579000000000, -0.0002635500000000 ] - [ -0.0062363100000000, -0.0046283900000000, 0.0001091100000000 ] - [ 0.0002964700000000, 0.0009492000000000, 0.0000402200000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0037775600000000, 0.0028092100000000, -0.0085084600000000 ] - [ 0.0001874000000000, 0.0001190900000000, -0.0008645800000000 ] - [ -0.0000900800000000, -0.0001365400000000, 0.0006570400000000 ] - [ -0.0001499900000000, 0.0006342400000000, 0.0023831600000000 ] - [ 0.0020362900000000, -0.0009420900000000, -0.0023629400000000 ] - [ 0.0002880400000000, -0.0000738100000000, -0.0004724400000000 ] - [ 0.0004331100000000, -0.0001646600000000, 0.0011886400000000 ] - [ 0.0006167600000000, -0.0001454200000000, 0.0008987600000000 ] - [ -0.0009009600000000, 0.0003168600000000, -0.0002393700000000 ] - [ -0.0007029500000000, -0.0003717200000000, -0.0002908600000000 ] - [ -0.0023470500000000, -0.0007818000000000, 0.0012073800000000 ] - [ 0.0000916000000000, 0.0000221500000000, -0.0001846700000000 ] - [ 0.0001646200000000, -0.0000914300000000, 0.0002800500000000 ] - [ 0.0037513800000000, -0.0009502400000000, 0.0015524200000000 ] - [ 0.0026545000000000, 0.0009662600000000, 0.0009578400000000 ] - [ 0.0002959800000000, -0.0003259300000000, -0.0001854400000000 ] - [ 0.0003118400000000, -0.0008360700000000, -0.0034692800000000 ] - [ 0.0010987900000000, -0.0013916400000000, -0.0015179200000000 ] - [ 0.0000717000000000, -0.0005580500000000, 0.0018425300000000 ] - [ -0.0000454300000000, 0.0001201700000000, 0.0013291600000000 ] - [ 0.0002829900000000, -0.0000095400000000, -0.0000891100000000 ] - [ 0.0026111600000000, 0.0017626700000000, -0.0028798300000000 ] - [ 0.0005276000000000, 0.0002663500000000, 0.0021306900000000 ] - [ 0.0000323600000000, -0.0002260900000000, 0.0007226800000000 ] - [ -0.0004696800000000, -0.0001080500000000, -0.0001068500000000 ] - [ -0.0027171600000000, -0.0008638800000000, 0.0000004900000000 ] - [ -0.0014755000000000, 0.0012988100000000, 0.0011331600000000 ] - [ 0.0002242800000000, -0.0001492800000000, -0.0000985700000000 ] - [ 0.0019554600000000, 0.0021551600000000, 0.0009819500000000 ] - [ 0.0008235800000000, -0.0006942700000000, 0.0004417500000000 ] - [ 0.0005888600000000, 0.0001034000000000, 0.0004928600000000 ] - [ 0.0008348800000000, -0.0000310500000000, 0.0004953200000000 ] - [ 0.0021093700000000, -0.0012198200000000, 0.0018419700000000 ] - [ 0.0006380300000000, 0.0003520900000000, -0.0001879200000000 ] - [ 0.0007911600000000, -0.0013052600000000, 0.0027107300000000 ] - [ -0.0001923900000000, 0.0007379600000000, 0.0002524100000000 ] - [ 0.0000663000000000, -0.0003655400000000, -0.0003878800000000 ] - [ 0.0001814600000000, 0.0006942100000000, -0.0006701800000000 ] - [ -0.0000039500000000, 0.0003605900000000, 0.0005949000000000 ] - [ 0.0000821000000000, -0.0003777300000000, 0.0001559300000000 ] - [ 0.0001244100000000, 0.0004337200000000, -0.0010575800000000 ] - [ 0.0002341800000000, -0.0003975400000000, -0.0003826500000000 ] - [ -0.0000064200000000, -0.0006992700000000, 0.0001153600000000 ] - [ -0.0002112100000000, 0.0006638500000000, 0.0002343200000000 ] - [ 0.0142945700000000, 0.0141450300000000, 0.0014887000000000 ] - [ 0.0000022100000000, -0.0024136000000000, -0.0002212600000000 ] - [ -0.0003156400000000, -0.0020733700000000, 0.0007253100000000 ] - [ 0.0012939400000000, 0.0031116100000000, 0.0019963200000000 ] - [ 0.0000234400000000, -0.0001003800000000, 0.0001313600000000 ] - [ 0.0000221200000000, -0.0001165500000000, 0.0000840600000000 ] - [ 0.0004060500000000, -0.0001336400000000, 0.0002602000000000 ] - [ 0.0005086700000000, 0.0001345200000000, 0.0002285900000000 ] - [ 0.0030935600000000, -0.0094799800000000, 0.0224976500000000 ] - [ -0.0007386600000000, -0.0002202200000000, 0.0007768600000000 ] - [ -0.0000692200000000, -0.0006948900000000, -0.0001582800000000 ] - [ 0.0073449400000000, 0.0059571900000000, 0.0254374700000000 ] - [ -0.0605677800000000, 0.0720524100000000, -0.2581126500000000 ] - [ -0.0007634100000000, -0.0001167300000000, -0.0008416500000000 ] - [ -0.0005637900000000, 0.0002638300000000, 0.0012831800000000 ] - [ -0.0025144700000000, 0.0009657900000000, 0.0089360700000000 ] - [ 0.0005258500000000, 0.0001922600000000, -0.0003838100000000 ] - [ 0.0002828200000000, 0.0002245800000000, 0.0000326900000000 ] - [ 0.0003986200000000, -0.0003800500000000, 0.0004849100000000 ] - [ 0.0003450100000000, -0.0002509500000000, 0.0004703400000000 ] - [ -0.0001217500000000, 0.0000542500000000, 0.0002398100000000 ] - [ -0.0004605600000000, 0.0001473800000000, 0.0004323900000000 ] - [ 0.0009504500000000, 0.0000550900000000, -0.0001213500000000 ] - [ 0.0009845400000000, -0.0003588400000000, -0.0000916100000000 ] - [ -0.0006690300000000, 0.0006427100000000, 0.0009888700000000 ] - [ 0.0006429100000000, -0.0020014100000000, 0.0017438400000000 ] - [ 0.0146368900000000, -0.0073490800000000, 0.0076369700000000 ] - [ 0.0001339000000000, 0.0003506400000000, -0.0002800900000000 ] - [ -0.0125728700000000, -0.0075572400000000, 0.0066826300000000 ] - [ -0.0005230800000000, 0.0001798900000000, -0.0003763000000000 ] - [ -0.0011946500000000, 0.0003125600000000, 0.0007739500000000 ] - [ -0.0024198600000000, -0.0015403700000000, 0.0014302000000000 ] - [ 0.0015460800000000, -0.0003147900000000, -0.0002177000000000 ] - [ 0.0006831000000000, -0.0003342400000000, -0.0000659200000000 ] - [ -0.0002372900000000, 0.0020286200000000, -0.0007686700000000 ] - [ 0.0067152400000000, -0.0083361900000000, -0.0009831000000000 ] - [ 0.0002979300000000, -0.0003886300000000, -0.0005835700000000 ] - [ 0.0001826900000000, -0.0000980700000000, -0.0003090800000000 ] - [ 0.0002154800000000, 0.0011139400000000, -0.0008931300000000 ] - [ 0.0011787800000000, -0.0016814400000000, -0.0009478300000000 ] - [ -0.0005225600000000, 0.0008258800000000, -0.0002791000000000 ] - [ -0.0007629700000000, -0.0000513200000000, -0.0003599300000000 ] - [ 0.0019304100000000, -0.0001274200000000, 0.0023588300000000 ] - [ 0.0005506200000000, 0.0007548400000000, -0.0001325800000000 ] - [ -0.0004641200000000, 0.0014273300000000, 0.0003703600000000 ] - [ -0.0011941500000000, -0.0020054800000000, 0.0007169300000000 ] - [ -0.0006492300000000, -0.0005708900000000, -0.0020981000000000 ] - [ 0.0002478200000000, 0.0005600300000000, -0.0005709300000000 ] - [ -0.0003477200000000, 0.0004618400000000, 0.0000638300000000 ] - [ -0.0004381800000000, -0.0001221800000000, 0.0001058700000000 ] - [ -0.0006323100000000, -0.0005521800000000, 0.0000037200000000 ] - [ -0.0001855700000000, -0.0002417400000000, -0.0001561400000000 ] - [ -0.0012073800000000, 0.0002994200000000, 0.0004700500000000 ] - [ -0.0006999600000000, 0.0001411500000000, 0.0002950400000000 ] - [ 0.0008450700000000, -0.0003896000000000, -0.0014557100000000 ] - [ 0.0020426000000000, 0.0097974200000000, -0.0097827700000000 ] - [ 0.0026280500000000, -0.0515457500000000, 0.1626873700000000 ] - [ 0.0009548400000000, 0.0002784400000000, 0.0014329200000000 ] - [ -0.0008927700000000, 0.0023579100000000, -0.0039350400000000 ] - [ -0.0012274200000000, -0.0015737400000000, -0.0014788600000000 ] - [ -0.0046624700000000, -0.0070997200000000, 0.0068848400000000 ] - [ -0.0036255500000000, 0.0036346500000000, 0.0001555100000000 ] - [ 0.0002049600000000, -0.0010367800000000, -0.0023685000000000 ] - [ -0.0004486800000000, 0.0004827000000000, -0.0006024900000000 ] - [ -0.0009219200000000, 0.0003326000000000, -0.0003341800000000 ] - [ -0.0009069800000000, 0.0003601700000000, -0.0001552900000000 ] - [ 0.0002149000000000, 0.0005609500000000, 0.0004521400000000 ] - [ 0.0008421900000000, -0.0010166500000000, 0.0038523200000000 ] - [ 0.0008880400000000, 0.0001877300000000, -0.0013124800000000 ] - [ 0.0020560000000000, 0.0003264400000000, -0.0023388500000000 ] - [ 0.0110970500000000, -0.0033251900000000, 0.0036862000000000 ] - [ 0.0005479700000000, 0.0008007100000000, 0.0016004700000000 ] - [ -0.0009965500000000, -0.0007136900000000, -0.0022680900000000 ] - [ -0.0030248300000000, 0.0006966100000000, -0.0029929900000000 ] - [ -0.0007617700000000, 0.0003555100000000, 0.0024522900000000 ] - [ -0.0001227200000000, 0.0000433800000000, 0.0007414900000000 ] - [ 0.0005286400000000, 0.0004000200000000, -0.0019981200000000 ] - [ -0.0006221200000000, -0.0003072900000000, -0.0009911900000000 ] - [ 0.0304583000000000, -0.0079243600000000, 0.0402140500000000 ] - [ 0.0005105600000000, 0.0002941100000000, 0.0006663100000000 ] - [ 0.0005809200000000, 0.0015023600000000, -0.0009668300000000 ] - [ -0.0051611800000000, -0.0023489800000000, -0.0151676100000000 ] - [ -0.0104808100000000, -0.0025842400000000, 0.0017930400000000 ] - [ -0.0001666100000000, 0.0000632900000000, 0.0006907600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0040293400000000, -0.0025657600000000, 0.0082942700000000 ] - [ -0.0000584900000000, 0.0000859600000000, 0.0007596100000000 ] - [ -0.0000406600000000, -0.0000630800000000, -0.0007525100000000 ] - [ 0.0000269700000000, -0.0008299700000000, -0.0024700700000000 ] - [ -0.0018919800000000, 0.0007349900000000, 0.0022437200000000 ] - [ -0.0001570200000000, -0.0001297000000000, 0.0003706200000000 ] - [ -0.0005635300000000, 0.0003637500000000, -0.0012845700000000 ] - [ -0.0007485500000000, 0.0003437100000000, -0.0009979300000000 ] - [ 0.0006686800000000, -0.0001506300000000, 0.0002285100000000 ] - [ 0.0004740300000000, 0.0005387900000000, 0.0002813800000000 ] - [ 0.0025663200000000, 0.0006158200000000, -0.0012186400000000 ] - [ 0.0001368800000000, -0.0001892900000000, 0.0001687400000000 ] - [ -0.0003915200000000, -0.0000748200000000, -0.0002900500000000 ] - [ -0.0039484200000000, 0.0007743000000000, -0.0015315100000000 ] - [ -0.0023914700000000, -0.0008020400000000, -0.0009756800000000 ] - [ -0.0000657400000000, 0.0004895500000000, 0.0001704000000000 ] - [ 0.0000597000000000, 0.0003999300000000, 0.0038673800000000 ] - [ -0.0007266200000000, 0.0009248300000000, 0.0019174800000000 ] - [ -0.0004414500000000, 0.0010033900000000, -0.0014253700000000 ] - [ -0.0003230800000000, 0.0003361700000000, -0.0009162900000000 ] - [ 0.0000965100000000, 0.0004611200000000, 0.0004868100000000 ] - [ -0.0022411000000000, -0.0013044300000000, 0.0032625100000000 ] - [ -0.0009015500000000, -0.0007173300000000, -0.0017152000000000 ] - [ -0.0004065900000000, -0.0002254200000000, -0.0003146200000000 ] - [ -0.0000407000000000, -0.0000847200000000, 0.0001015100000000 ] - [ 0.0021961000000000, 0.0006669800000000, -0.0000097100000000 ] - [ 0.0019933000000000, -0.0010988900000000, -0.0011641600000000 ] - [ 0.0002922900000000, 0.0003446000000000, 0.0000897100000000 ] - [ -0.0024703300000000, -0.0019560000000000, -0.0009892500000000 ] - [ -0.0013276800000000, 0.0008830700000000, -0.0004393800000000 ] - [ -0.0009602100000000, 0.0002576400000000, -0.0003177000000000 ] - [ -0.0011831000000000, 0.0003731400000000, -0.0003127300000000 ] - [ -0.0015814200000000, 0.0010151600000000, -0.0018364500000000 ] - [ -0.0001152000000000, -0.0005412800000000, 0.0001745400000000 ] - [ -0.0008181400000000, 0.0014924600000000, -0.0027013100000000 ] - [ 0.0001524700000000, -0.0005100500000000, -0.0002603300000000 ] - [ -0.0000274700000000, 0.0005779600000000, 0.0003770000000000 ] - [ -0.0001293000000000, -0.0004674300000000, 0.0006631900000000 ] - [ -0.0000474100000000, -0.0005805900000000, -0.0006006500000000 ] - [ -0.0001199200000000, 0.0001607700000000, -0.0001647300000000 ] - [ 0.0001482900000000, -0.0005100500000000, 0.0006338000000000 ] - [ 0.0000282900000000, 0.0003334600000000, -0.0000323700000000 ] - [ -0.0002519400000000, 0.0007658400000000, -0.0005279000000000 ] - [ -0.0000525600000000, -0.0005901400000000, -0.0006548600000000 ] - [ -0.0140862700000000, -0.0141485400000000, -0.0018630000000000 ] - [ 0.0002641100000000, 0.0024596400000000, -0.0001986500000000 ] - [ 0.0000529900000000, 0.0019916400000000, -0.0011362000000000 ] - [ -0.0015322100000000, -0.0031313900000000, -0.0023959200000000 ] - [ -0.0005276500000000, 0.0000236400000000, 0.0003145800000000 ] - [ -0.0005286000000000, 0.0000600600000000, 0.0003774900000000 ] - [ 0.0001084200000000, 0.0002059700000000, 0.0001917100000000 ] - [ 0.0000026300000000, -0.0000523600000000, 0.0002160200000000 ] - [ -0.0036640100000000, 0.0096250400000000, -0.0224091900000000 ] - [ 0.0002240600000000, 0.0002906900000000, -0.0003184500000000 ] - [ 0.0005744100000000, 0.0006261700000000, 0.0006098200000000 ] - [ -0.0067473100000000, -0.0058427600000000, -0.0244890100000000 ] - [ 0.0614159500000000, -0.0686169600000000, 0.2493860000000000 ] - [ 0.0005997200000000, -0.0003354100000000, 0.0010730800000000 ] - [ 0.0007185300000000, 0.0001941900000000, -0.0010263900000000 ] - [ 0.0026555100000000, -0.0004954900000000, -0.0086582400000000 ] - [ -0.0006751100000000, 0.0002649500000000, 0.0006276300000000 ] - [ -0.0004365500000000, 0.0002351700000000, 0.0002263600000000 ] - [ -0.0002330200000000, -0.0000807800000000, -0.0002243400000000 ] - [ -0.0001788800000000, -0.0002011300000000, -0.0002371500000000 ] - [ -0.0007934600000000, 0.0002826500000000, -0.0000413900000000 ] - [ -0.0004767300000000, 0.0001733800000000, -0.0002315600000000 ] - [ 0.0000237000000000, -0.0003692900000000, 0.0003067600000000 ] - [ -0.0000610400000000, 0.0000255400000000, 0.0002875300000000 ] - [ -0.0002640700000000, -0.0009727500000000, -0.0007848200000000 ] - [ -0.0015911900000000, 0.0016785900000000, -0.0015329600000000 ] - [ -0.0134489700000000, 0.0074583700000000, -0.0073010000000000 ] - [ 0.0007986700000000, -0.0000241600000000, 0.0004737800000000 ] - [ 0.0127522600000000, 0.0077265600000000, -0.0064141300000000 ] - [ 0.0008788600000000, 0.0001652500000000, 0.0005512600000000 ] - [ 0.0008189400000000, -0.0006678200000000, -0.0005925800000000 ] - [ 0.0020500700000000, 0.0011935100000000, -0.0012462400000000 ] - [ -0.0011649500000000, -0.0000386200000000, 0.0003909700000000 ] - [ -0.0002989400000000, -0.0000248100000000, 0.0002395300000000 ] - [ 0.0002775100000000, -0.0022385300000000, 0.0007618300000000 ] - [ -0.0066183200000000, 0.0080770300000000, 0.0010281300000000 ] - [ 0.0002240700000000, -0.0000073800000000, 0.0001839600000000 ] - [ 0.0003402200000000, -0.0003000400000000, -0.0000883300000000 ] - [ -0.0005644700000000, -0.0019180200000000, 0.0005259500000000 ] - [ -0.0015138500000000, 0.0008651000000000, 0.0005864800000000 ] - [ 0.0001668200000000, -0.0000150200000000, -0.0000849500000000 ] - [ 0.0004029400000000, 0.0008590400000000, -0.0000050600000000 ] - [ -0.0014536600000000, 0.0008126200000000, -0.0029423600000000 ] - [ -0.0001965700000000, 0.0000545800000000, -0.0002332900000000 ] - [ -0.0000594200000000, -0.0018182000000000, -0.0007617300000000 ] - [ 0.0006691300000000, 0.0016001600000000, -0.0010968300000000 ] - [ 0.0011772400000000, 0.0009716400000000, 0.0016924700000000 ] - [ 0.0002788000000000, -0.0001647700000000, 0.0001710000000000 ] - [ -0.0001772400000000, -0.0000672000000000, -0.0004579500000000 ] - [ -0.0000948400000000, 0.0005287800000000, -0.0004931600000000 ] - [ 0.0009792800000000, -0.0002574700000000, -0.0003719400000000 ] - [ 0.0005345300000000, -0.0005666500000000, -0.0002087700000000 ] - [ 0.0013573300000000, -0.0002466800000000, -0.0002863600000000 ] - [ 0.0008686000000000, -0.0000750200000000, -0.0001045600000000 ] - [ -0.0010175600000000, 0.0004538500000000, 0.0016344600000000 ] - [ -0.0022082300000000, -0.0097634200000000, 0.0099371500000000 ] - [ -0.0020247200000000, 0.0475794700000000, -0.1531124900000000 ] - [ -0.0007659200000000, -0.0003437500000000, -0.0012295900000000 ] - [ 0.0006205500000000, -0.0021648700000000, 0.0037831000000000 ] - [ 0.0009529500000000, 0.0017252200000000, 0.0013369800000000 ] - [ 0.0048959300000000, 0.0068794200000000, -0.0070110600000000 ] - [ 0.0038489300000000, -0.0037625500000000, -0.0002946100000000 ] - [ -0.0004717800000000, 0.0008653800000000, 0.0022381600000000 ] - [ 0.0001852900000000, -0.0006577100000000, 0.0004651700000000 ] - [ 0.0007336000000000, -0.0004015700000000, 0.0005213000000000 ] - [ 0.0007142300000000, -0.0004276200000000, 0.0003439000000000 ] - [ 0.0000434100000000, -0.0003867900000000, -0.0005805800000000 ] - [ -0.0005715000000000, 0.0011931500000000, -0.0039841500000000 ] - [ -0.0011707800000000, -0.0003111000000000, 0.0012426100000000 ] - [ -0.0023516500000000, -0.0004569800000000, 0.0022598400000000 ] - [ -0.0107697600000000, 0.0033405900000000, -0.0036356900000000 ] - [ -0.0002592700000000, -0.0006666600000000, -0.0016428700000000 ] - [ 0.0007082300000000, 0.0008373800000000, 0.0021972500000000 ] - [ 0.0027459200000000, -0.0005640500000000, 0.0029125900000000 ] - [ 0.0006996600000000, -0.0001973400000000, -0.0026091300000000 ] - [ 0.0000629000000000, 0.0001134000000000, -0.0009060700000000 ] - [ -0.0004785200000000, -0.0005618900000000, 0.0018332700000000 ] - [ 0.0006687600000000, 0.0001520100000000, 0.0008260300000000 ] - [ -0.0322761300000000, 0.0082320100000000, -0.0410209800000000 ] - [ -0.0005562700000000, -0.0004481400000000, -0.0008291600000000 ] - [ -0.0005236000000000, -0.0013398000000000, 0.0007979000000000 ] - [ 0.0051517200000000, 0.0025075700000000, 0.0149109600000000 ] - [ 0.0106923100000000, 0.0024435000000000, -0.0018181300000000 ] - [ 0.0004473400000000, -0.0001931600000000, -0.0007392200000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006689700000000, 0.0003220500000000, -0.0002885900000000 ] - [ 0.0008955400000000, -0.0003486500000000, 0.0003322300000000 ] - [ 0.0210673600000000, 0.0060207800000000, 0.0174935400000000 ] - [ -0.0002198300000000, -0.0006283700000000, -0.0004732100000000 ] - [ -0.0014577700000000, -0.0008417700000000, -0.0010068200000000 ] - [ -0.0006786300000000, 0.0003560700000000, 0.0003713700000000 ] - [ 0.0031080600000000, 0.0019113600000000, -0.0014228200000000 ] - [ 0.0001549400000000, -0.0002727500000000, 0.0002676200000000 ] - [ -0.0041829500000000, -0.0079701800000000, -0.0072168600000000 ] - [ -0.0008727000000000, 0.0006753300000000, -0.0001809000000000 ] - [ 0.0014258000000000, 0.0006030800000000, -0.0013044000000000 ] - [ 0.0006860700000000, -0.0001930300000000, -0.0005138500000000 ] - [ 0.0049423700000000, -0.0015753600000000, 0.0028917100000000 ] - [ 0.0004530000000000, 0.0002136400000000, 0.0001604800000000 ] - [ -0.0004757000000000, -0.0000935500000000, 0.0005103300000000 ] - [ -0.0013260300000000, 0.0012612800000000, 0.0020659500000000 ] - [ 0.0009154700000000, 0.0001624100000000, 0.0005483600000000 ] - [ 0.0004620800000000, -0.0002504600000000, 0.0001323400000000 ] - [ 0.0036225100000000, -0.0073470000000000, 0.0078870800000000 ] - [ -0.0007462500000000, 0.0011730300000000, -0.0003193200000000 ] - [ -0.0014041300000000, 0.0015585500000000, -0.0020968800000000 ] - [ -0.0003148900000000, 0.0001435500000000, 0.0005140100000000 ] - [ 0.0003979000000000, 0.0005295700000000, 0.0007675800000000 ] - [ 0.0027700700000000, -0.0022663300000000, -0.0021699200000000 ] - [ 0.0087987800000000, 0.0057779600000000, -0.0155832300000000 ] - [ -0.0007327800000000, -0.0001817300000000, -0.0002779900000000 ] - [ 0.0010869500000000, 0.0005293100000000, -0.0003935100000000 ] - [ 0.0014156000000000, -0.0007694300000000, -0.0013729600000000 ] - [ 0.0031156400000000, 0.0017763500000000, 0.0025787800000000 ] - [ 0.0000842000000000, -0.0000004600000000, 0.0002057700000000 ] - [ 0.0325969700000000, 0.0017007100000000, 0.0021050700000000 ] - [ -0.0006427000000000, 0.0005982300000000, 0.0001953900000000 ] - [ -0.0011277700000000, -0.0010727700000000, 0.0020865100000000 ] - [ -0.0004965600000000, 0.0004806300000000, 0.0003043100000000 ] - [ 0.0013269900000000, -0.0024203600000000, 0.0011310200000000 ] - [ 0.0002529700000000, 0.0035719500000000, 0.0016744900000000 ] - [ -0.0054812600000000, -0.0012708300000000, 0.0019590600000000 ] - [ -0.0004882800000000, 0.0002829400000000, 0.0000622800000000 ] - [ 0.0017561500000000, 0.0031397400000000, -0.0008755800000000 ] - [ -0.0000278300000000, -0.0020658800000000, -0.0008537500000000 ] - [ -0.0027702100000000, 0.0006904600000000, 0.0005305400000000 ] - [ -0.0034923600000000, 0.0010743500000000, 0.0004345200000000 ] - [ 0.0013408500000000, -0.0018436500000000, -0.0018669500000000 ] - [ -0.0002666400000000, 0.0011519700000000, -0.0003623500000000 ] - [ 0.0014406700000000, 0.0009138900000000, -0.0002086000000000 ] - [ 0.0011517600000000, -0.0001578600000000, -0.0001064100000000 ] - [ 0.0007148400000000, -0.0014176100000000, 0.0018828800000000 ] - [ 0.0000381300000000, 0.0010957600000000, -0.0000864600000000 ] - [ -0.0016485400000000, 0.0138576400000000, 0.0103747300000000 ] - [ -0.0012244200000000, -0.0002802500000000, 0.0009672400000000 ] - [ -0.0002301700000000, 0.0013049900000000, -0.0028488100000000 ] - [ -0.0004177000000000, 0.0001695200000000, -0.0004260600000000 ] - [ 0.0005258900000000, 0.0001065800000000, -0.0002219100000000 ] - [ 0.0028549300000000, 0.0004851700000000, -0.0012669600000000 ] - [ 0.0012957200000000, 0.0004719200000000, 0.0013213200000000 ] - [ 0.0009321100000000, -0.0000279900000000, 0.0008907100000000 ] - [ 0.0007574400000000, -0.0003480400000000, 0.0004510200000000 ] - [ 0.0014555600000000, -0.0001124100000000, 0.0001357800000000 ] - [ 0.0047234100000000, -0.0005032200000000, -0.0003344800000000 ] - [ 0.0008881800000000, -0.0000655100000000, -0.0003980100000000 ] - [ -0.0012108900000000, 0.0006868400000000, 0.0012359800000000 ] - [ -0.0009327700000000, 0.0002265700000000, -0.0000959900000000 ] - [ 0.0107873300000000, 0.0098658600000000, -0.0139813700000000 ] - [ -0.0006137900000000, -0.0005565700000000, 0.0004685800000000 ] - [ -0.3075262900000000, -0.0664481800000000, 0.0222408500000000 ] - [ -0.0018138100000000, 0.0002576500000000, 0.0001985000000000 ] - [ 0.0005480600000000, 0.0005060200000000, -0.0002096300000000 ] - [ -0.0001119500000000, -0.0005423200000000, -0.0002826300000000 ] - [ 0.0042204500000000, -0.0005217800000000, -0.0004055600000000 ] - [ 0.0006882300000000, -0.0001599900000000, -0.0000250400000000 ] - [ 0.0010820400000000, -0.0003048700000000, 0.0004540500000000 ] - [ 0.0010745400000000, 0.0007021000000000, 0.0004822300000000 ] - [ 0.0018039800000000, 0.0004051700000000, 0.0000777400000000 ] - [ 0.0018780700000000, 0.0004432300000000, -0.0000112300000000 ] - [ 0.0074246200000000, -0.0019057000000000, -0.0003865000000000 ] - [ 0.0004811800000000, 0.0001610700000000, -0.0000872300000000 ] - [ -0.0018914500000000, 0.0002165900000000, 0.0002054400000000 ] - [ -0.0019343300000000, 0.0001940300000000, -0.0000034900000000 ] - [ 0.0017280100000000, -0.0005845700000000, 0.0002193300000000 ] - [ 0.0004537300000000, -0.0001892300000000, 0.0000060800000000 ] - [ 0.0026898900000000, 0.0000079900000000, 0.0000605500000000 ] - [ 0.0049071700000000, 0.0015660200000000, -0.0004007400000000 ] - [ -0.0015510400000000, -0.0001856100000000, -0.0004086900000000 ] - [ -0.0007835400000000, -0.0005200200000000, -0.0002280300000000 ] - [ 0.0021491200000000, 0.0008794700000000, 0.0011394800000000 ] - [ 0.0004440100000000, 0.0002582400000000, -0.0001164400000000 ] - [ -0.0009807200000000, 0.0015153600000000, 0.0001804900000000 ] - [ -0.0010586500000000, -0.0013565500000000, 0.0001305900000000 ] - [ -0.0003854800000000, 0.0001155800000000, -0.0000744300000000 ] - [ -0.0002906200000000, -0.0003868600000000, -0.0003543200000000 ] - [ -0.0008897500000000, -0.0001118200000000, -0.0002892800000000 ] - [ -0.0007783200000000, 0.0005349200000000, -0.0002250800000000 ] - [ -0.0004502100000000, 0.0004748700000000, 0.0000460500000000 ] - [ -0.0002400500000000, 0.0000148800000000, -0.0000548700000000 ] - [ -0.0005202800000000, -0.0017648300000000, -0.0009092500000000 ] - [ 0.0000581500000000, 0.0014913500000000, -0.0014606400000000 ] - [ 0.0020752800000000, -0.0025843200000000, 0.0008683300000000 ] - [ 0.0018273600000000, -0.0003190200000000, 0.0006274100000000 ] - [ -0.0077027800000000, 0.0001450900000000, 0.0022632300000000 ] - [ -0.0015920400000000, -0.0000151400000000, 0.0007479700000000 ] - [ -0.0016438500000000, -0.0001917600000000, -0.0005757500000000 ] - [ -0.0019326700000000, -0.0010847200000000, -0.0005046700000000 ] - [ -0.0021239000000000, 0.0024012500000000, -0.0071408000000000 ] - [ 0.0017401300000000, -0.0026790500000000, -0.0004766200000000 ] - [ -0.0034124300000000, -0.0003572000000000, -0.0014890400000000 ] - [ -0.0004793200000000, 0.0000481100000000, -0.0002751300000000 ] - [ -0.0018838300000000, -0.0022730600000000, 0.0002446200000000 ] - [ -0.0016265000000000, 0.0027723700000000, 0.0030297200000000 ] - [ 0.1376100000000000, 0.0739331900000000, -0.0128516300000000 ] - [ 0.0014085100000000, 0.0001089700000000, -0.0003321800000000 ] - [ 0.0146185900000000, -0.0016489100000000, 0.0086585500000000 ] - [ 0.0012358100000000, -0.0000363600000000, 0.0000338800000000 ] - [ 0.0852179100000000, -0.0267918600000000, -0.0081691700000000 ] - [ 0.0005760500000000, -0.0007532700000000, 0.0007620400000000 ] - [ -0.0020448200000000, -0.0010492600000000, 0.0009617400000000 ] - [ -0.0012026600000000, 0.0010481600000000, 0.0008921800000000 ] - [ -0.0183228200000000, -0.0035505300000000, -0.0009034400000000 ] - [ -0.0009452400000000, -0.0004408400000000, -0.0007576700000000 ] - [ 0.0171252100000000, 0.0009902100000000, -0.0045770500000000 ] - [ 0.0021498000000000, -0.0008526400000000, -0.0005475900000000 ] - [ -0.0084040000000000, -0.0024176500000000, 0.0082324500000000 ] - [ 0.0004255900000000, 0.0010740000000000, 0.0004822300000000 ] - [ -0.0017901600000000, -0.0005788800000000, 0.0000077900000000 ] - [ -0.0060388500000000, 0.0006852800000000, -0.0007634400000000 ] - [ -0.0063373600000000, -0.0008312600000000, -0.0123979600000000 ] - [ -0.0004655200000000, 0.0015861200000000, -0.0004739900000000 ] - [ 0.0016864000000000, 0.0017861600000000, -0.0009218300000000 ] - [ 0.0023996500000000, -0.0028934000000000, -0.0005461600000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005371300000000, -0.0001194100000000, 0.0001886000000000 ] - [ -0.0007655600000000, 0.0005485100000000, -0.0004255200000000 ] - [ -0.0215621100000000, -0.0064217800000000, -0.0179209900000000 ] - [ 0.0000914100000000, 0.0004246700000000, 0.0003751100000000 ] - [ 0.0015945400000000, 0.0006321200000000, 0.0008968300000000 ] - [ 0.0008159000000000, -0.0005570500000000, -0.0004822500000000 ] - [ -0.0032410600000000, -0.0016804400000000, 0.0012960900000000 ] - [ -0.0002888100000000, 0.0004724700000000, -0.0003681300000000 ] - [ 0.0040268000000000, 0.0081843000000000, 0.0072579500000000 ] - [ 0.0006509800000000, -0.0005071400000000, 0.0001704000000000 ] - [ -0.0011972700000000, -0.0007650200000000, 0.0012871100000000 ] - [ -0.0004601600000000, 0.0000284700000000, 0.0004989000000000 ] - [ -0.0051412400000000, 0.0013952900000000, -0.0028810600000000 ] - [ -0.0006832900000000, -0.0003770700000000, -0.0001755700000000 ] - [ 0.0007056400000000, 0.0002556200000000, -0.0005271000000000 ] - [ 0.0015721600000000, -0.0011014500000000, -0.0020928800000000 ] - [ -0.0005508300000000, -0.0006105200000000, -0.0001260300000000 ] - [ -0.0000916400000000, -0.0002038100000000, 0.0002767700000000 ] - [ -0.0039652700000000, 0.0078801400000000, -0.0075275700000000 ] - [ 0.0003830200000000, -0.0007169300000000, 0.0007329500000000 ] - [ 0.0017925400000000, -0.0011032300000000, 0.0025034500000000 ] - [ 0.0006928700000000, 0.0003067200000000, -0.0001112800000000 ] - [ -0.0007746600000000, -0.0009815400000000, -0.0003655300000000 ] - [ -0.0031298700000000, 0.0017957400000000, 0.0025460700000000 ] - [ -0.0094920300000000, -0.0061184500000000, 0.0158937300000000 ] - [ 0.0002263400000000, -0.0000112800000000, 0.0002716100000000 ] - [ -0.0005766300000000, -0.0003340500000000, 0.0003871100000000 ] - [ -0.0009032000000000, 0.0009590500000000, 0.0013573600000000 ] - [ -0.0036316600000000, -0.0015582600000000, -0.0025753000000000 ] - [ -0.0006017000000000, 0.0001915500000000, -0.0002163100000000 ] - [ -0.0324071200000000, -0.0014111700000000, -0.0018640400000000 ] - [ 0.0002707300000000, -0.0002468600000000, -0.0000194300000000 ] - [ 0.0016486400000000, 0.0008826300000000, -0.0021076700000000 ] - [ 0.0010174000000000, -0.0006752600000000, -0.0003150800000000 ] - [ -0.0013672300000000, 0.0026440900000000, -0.0011365600000000 ] - [ -0.0002931700000000, -0.0033884100000000, -0.0016933600000000 ] - [ 0.0055203200000000, 0.0014676700000000, -0.0020429100000000 ] - [ 0.0005261800000000, -0.0000657900000000, -0.0000710300000000 ] - [ -0.0018087400000000, -0.0033494800000000, 0.0008699800000000 ] - [ -0.0000169900000000, 0.0018389400000000, 0.0008423100000000 ] - [ 0.0030322900000000, -0.0007640000000000, -0.0009436000000000 ] - [ 0.0037545200000000, -0.0010853400000000, -0.0008866800000000 ] - [ -0.0016037100000000, 0.0019178700000000, 0.0014510200000000 ] - [ 0.0000092800000000, -0.0010854900000000, -0.0000490100000000 ] - [ -0.0011734600000000, -0.0008271800000000, -0.0002048400000000 ] - [ -0.0008920400000000, 0.0002178700000000, -0.0003036900000000 ] - [ -0.0009696100000000, 0.0013655100000000, -0.0023043300000000 ] - [ -0.0002951200000000, -0.0011707700000000, -0.0003263400000000 ] - [ 0.0010869100000000, -0.0138520500000000, -0.0098986200000000 ] - [ 0.0007114600000000, 0.0002170100000000, -0.0005123600000000 ] - [ 0.0007305800000000, -0.0012287400000000, 0.0032848700000000 ] - [ 0.0009265700000000, -0.0000920600000000, 0.0008767200000000 ] - [ -0.0010326200000000, -0.0000211800000000, 0.0006668700000000 ] - [ -0.0033619600000000, -0.0003984900000000, 0.0017146800000000 ] - [ -0.0007810800000000, -0.0005456400000000, -0.0008682200000000 ] - [ -0.0004190600000000, -0.0000454500000000, -0.0004350200000000 ] - [ -0.0009183900000000, -0.0001067000000000, -0.0002060000000000 ] - [ -0.0016156900000000, -0.0003435500000000, 0.0001121100000000 ] - [ -0.0045852600000000, 0.0009698200000000, 0.0005976100000000 ] - [ -0.0007257800000000, 0.0005241200000000, 0.0006567900000000 ] - [ 0.0010445700000000, -0.0002361600000000, -0.0009950700000000 ] - [ 0.0007618600000000, 0.0002308600000000, 0.0003369600000000 ] - [ -0.0106490200000000, -0.0102218600000000, 0.0141110300000000 ] - [ 0.0007726700000000, 0.0001000800000000, -0.0002162300000000 ] - [ 0.3062926000000000, 0.0587512700000000, -0.0218821800000000 ] - [ 0.0008823700000000, 0.0000732300000000, 0.0000014000000000 ] - [ 0.0003722100000000, -0.0008444100000000, 0.0004051000000000 ] - [ 0.0010380900000000, 0.0002077900000000, 0.0004791900000000 ] - [ -0.0051447400000000, 0.0001861100000000, 0.0006041000000000 ] - [ -0.0016090900000000, -0.0001794900000000, 0.0002219400000000 ] - [ -0.0001395500000000, 0.0006393000000000, -0.0002571400000000 ] - [ -0.0001331000000000, -0.0003739500000000, -0.0002849200000000 ] - [ -0.0014383100000000, -0.0000587700000000, 0.0001006200000000 ] - [ -0.0015135300000000, -0.0000962900000000, 0.0001882900000000 ] - [ -0.0077743800000000, 0.0015487200000000, 0.0005636500000000 ] - [ -0.0008508000000000, -0.0005175800000000, 0.0002627400000000 ] - [ 0.0022612000000000, -0.0005701800000000, -0.0000333800000000 ] - [ 0.0023023700000000, -0.0005434500000000, 0.0001777600000000 ] - [ -0.0016775000000000, 0.0003632900000000, -0.0002224600000000 ] - [ -0.0004138100000000, -0.0000341000000000, -0.0000146700000000 ] - [ -0.0021678100000000, -0.0003986100000000, -0.0004629400000000 ] - [ -0.0043780400000000, -0.0019454900000000, 0.0000109200000000 ] - [ 0.0011989700000000, -0.0006240400000000, 0.0000453300000000 ] - [ 0.0004307800000000, -0.0002874500000000, -0.0001377300000000 ] - [ -0.0024970500000000, -0.0000659700000000, -0.0015188500000000 ] - [ -0.0007948800000000, 0.0005519300000000, -0.0002475400000000 ] - [ 0.0013271500000000, -0.0007050700000000, -0.0005464900000000 ] - [ 0.0014104000000000, 0.0021719600000000, -0.0004949500000000 ] - [ -0.0001409000000000, -0.0005152600000000, -0.0003202100000000 ] - [ -0.0002335900000000, -0.0000098900000000, -0.0000406500000000 ] - [ 0.0014128000000000, 0.0005055300000000, -0.0001058600000000 ] - [ 0.0013028100000000, -0.0001325700000000, -0.0001725500000000 ] - [ -0.0000684000000000, -0.0000792500000000, -0.0004422300000000 ] - [ -0.0002807400000000, 0.0003825700000000, -0.0003416100000000 ] - [ 0.0008845200000000, 0.0009599600000000, 0.0005464600000000 ] - [ 0.0003009900000000, -0.0022909100000000, 0.0010907300000000 ] - [ -0.0018900800000000, 0.0026471500000000, -0.0006739200000000 ] - [ -0.0016416700000000, 0.0003802700000000, -0.0004292100000000 ] - [ 0.0075302800000000, -0.0000996600000000, -0.0020868900000000 ] - [ 0.0014128300000000, 0.0000708600000000, -0.0005590500000000 ] - [ 0.0018140000000000, 0.0001319100000000, 0.0007613500000000 ] - [ 0.0021084600000000, 0.0010312800000000, 0.0006899800000000 ] - [ 0.0018608000000000, -0.0022438300000000, 0.0069931900000000 ] - [ -0.0020155800000000, 0.0028589300000000, 0.0003351700000000 ] - [ 0.0036636900000000, 0.0001842800000000, 0.0013413400000000 ] - [ 0.0007428800000000, -0.0002086400000000, 0.0001322000000000 ] - [ 0.0016358000000000, 0.0021069300000000, -0.0003736600000000 ] - [ 0.0013792600000000, -0.0029328000000000, -0.0031444800000000 ] - [ -0.1310810900000000, -0.0686895100000000, 0.0121996400000000 ] - [ -0.0015816400000000, -0.0001789000000000, 0.0005165300000000 ] - [ -0.0144867000000000, 0.0017694000000000, -0.0087213900000000 ] - [ -0.0009816200000000, 0.0002138900000000, -0.0001702300000000 ] - [ -0.0919287800000000, 0.0294282900000000, 0.0088134900000000 ] - [ -0.0008664800000000, 0.0006241600000000, -0.0008258100000000 ] - [ 0.0023339600000000, 0.0011693900000000, -0.0010198800000000 ] - [ 0.0014945200000000, -0.0009139000000000, -0.0009498000000000 ] - [ 0.0179970000000000, 0.0036443900000000, 0.0008527300000000 ] - [ 0.0006661800000000, 0.0005722700000000, 0.0007008500000000 ] - [ -0.0171995800000000, -0.0007693700000000, 0.0044636200000000 ] - [ -0.0022005100000000, 0.0009846200000000, 0.0003866000000000 ] - [ 0.0084931600000000, 0.0022529500000000, -0.0083926900000000 ] - [ -0.0003640200000000, -0.0012252200000000, -0.0006479300000000 ] - [ 0.0017367700000000, 0.0004171200000000, -0.0001756000000000 ] - [ 0.0059767600000000, -0.0008386200000000, 0.0005842000000000 ] - [ 0.0063917000000000, 0.0009811500000000, 0.0122779800000000 ] - [ 0.0005157700000000, -0.0014225800000000, 0.0003081500000000 ] - [ -0.0014082600000000, -0.0019093100000000, 0.0008756800000000 ] - [ -0.0021248600000000, 0.0027721600000000, 0.0005006000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001876400000000, 0.0002815600000000, -0.0002402800000000 ] - [ 0.0001152200000000, -0.0000123100000000, -0.0000636700000000 ] - [ 0.0108454000000000, -0.0007442300000000, 0.0071903600000000 ] - [ -0.0000468300000000, 0.0008722300000000, 0.0001471800000000 ] - [ 0.0000083100000000, -0.0000974400000000, 0.0010044400000000 ] - [ 0.0003911200000000, 0.0006237100000000, -0.0007711400000000 ] - [ 0.0011468700000000, -0.0010242700000000, 0.0010341600000000 ] - [ -0.0002534900000000, 0.0005008300000000, -0.0001809100000000 ] - [ -0.0050039700000000, 0.0019955400000000, 0.0043231900000000 ] - [ 0.0004059900000000, 0.0016792700000000, 0.0002414600000000 ] - [ 0.0004767900000000, -0.0002334800000000, -0.0000651700000000 ] - [ 0.0000097100000000, 0.0001674100000000, -0.0000239400000000 ] - [ -0.0005976800000000, -0.0001903900000000, -0.0003393400000000 ] - [ 0.0000043100000000, 0.0002532400000000, -0.0000662700000000 ] - [ -0.0000998800000000, 0.0007237500000000, 0.0002043800000000 ] - [ 0.0003382900000000, -0.0000257000000000, 0.0007146900000000 ] - [ 0.0004565500000000, -0.0004416600000000, -0.0000430300000000 ] - [ 0.0000878800000000, -0.0000304500000000, 0.0003085300000000 ] - [ -0.0084716900000000, 0.0027945700000000, -0.0062127500000000 ] - [ 0.0004006300000000, 0.0017131800000000, 0.0002677100000000 ] - [ 0.0001918300000000, -0.0001854200000000, -0.0006892800000000 ] - [ -0.0000994700000000, 0.0009452500000000, 0.0003704300000000 ] - [ -0.0000863500000000, 0.0002400500000000, 0.0004585400000000 ] - [ -0.0002718500000000, -0.0004196800000000, 0.0005705400000000 ] - [ 0.0072554200000000, -0.0018569300000000, -0.0073278000000000 ] - [ -0.0005029300000000, 0.0012548800000000, -0.0005089900000000 ] - [ 0.0004186600000000, 0.0003657500000000, 0.0000440800000000 ] - [ 0.0003634800000000, -0.0001909400000000, -0.0000225700000000 ] - [ 0.0000137100000000, -0.0008632100000000, -0.0003445000000000 ] - [ -0.0003808400000000, 0.0004336000000000, 0.0000755700000000 ] - [ -0.0064301800000000, -0.0042421800000000, -0.0001781400000000 ] - [ -0.0004496400000000, 0.0010652500000000, -0.0000077300000000 ] - [ -0.0000035200000000, 0.0000970000000000, -0.0009312200000000 ] - [ 0.0004315600000000, 0.0002793000000000, 0.0001074600000000 ] - [ -0.0011395400000000, 0.0014855100000000, -0.0008012500000000 ] - [ 0.0002107700000000, 0.0011442500000000, 0.0004119700000000 ] - [ -0.0011036000000000, -0.0055103400000000, 0.0008169300000000 ] - [ 0.0003050000000000, 0.0019951400000000, -0.0001503800000000 ] - [ 0.0009129100000000, 0.0009816700000000, -0.0001772200000000 ] - [ -0.0006221100000000, -0.0001300000000000, 0.0003191700000000 ] - [ -0.0008373500000000, 0.0028976900000000, 0.0009480500000000 ] - [ -0.0000342600000000, 0.0046014800000000, -0.0056039900000000 ] - [ 0.0006402400000000, -0.0019467800000000, -0.0003032900000000 ] - [ -0.0003352000000000, 0.0010034400000000, -0.0001964800000000 ] - [ 0.0000906200000000, -0.0001088400000000, -0.0002693600000000 ] - [ 0.0002355300000000, 0.0003620100000000, -0.0002212400000000 ] - [ -0.0008781300000000, -0.0025694700000000, -0.0003989700000000 ] - [ 0.0001710200000000, 0.0011296500000000, -0.0000438100000000 ] - [ 0.0086506100000000, 0.0113368500000000, 0.0089285200000000 ] - [ -0.0006597100000000, 0.0016763400000000, 0.0002344100000000 ] - [ 0.0006139500000000, 0.0001564200000000, -0.0003848700000000 ] - [ 0.0000080100000000, 0.0003945700000000, -0.0000241100000000 ] - [ -0.0003084900000000, 0.0003206200000000, 0.0001501300000000 ] - [ 0.0000804800000000, -0.0003080600000000, 0.0001561800000000 ] - [ 0.0004471000000000, -0.0003840000000000, 0.0002593400000000 ] - [ 0.0001505500000000, 0.0004166500000000, 0.0001947000000000 ] - [ -0.0003154000000000, -0.0000304000000000, 0.0000044200000000 ] - [ 0.0002865000000000, -0.0002975900000000, 0.0001074600000000 ] - [ 0.0015549000000000, -0.0005353000000000, -0.0000974800000000 ] - [ 0.0000346900000000, 0.0006364300000000, 0.0003074600000000 ] - [ 0.0002063100000000, 0.0004100400000000, 0.0019629500000000 ] - [ -0.0008463300000000, 0.0007466500000000, -0.0007000600000000 ] - [ 0.0085812700000000, 0.0008526100000000, -0.0073226300000000 ] - [ -0.0002541200000000, 0.0003862100000000, 0.0003161800000000 ] - [ -0.0641429500000000, -0.1363994700000000, 0.0054629400000000 ] - [ -0.0003695200000000, 0.0012771200000000, 0.0000798200000000 ] - [ 0.0011424000000000, 0.0001682700000000, 0.0002621700000000 ] - [ 0.0000986200000000, -0.0003146900000000, -0.0000244500000000 ] - [ -0.0001147400000000, -0.0006592800000000, 0.0000018600000000 ] - [ -0.0004781900000000, 0.0001350000000000, 0.0001230400000000 ] - [ -0.0000693700000000, 0.0002646900000000, 0.0000888800000000 ] - [ 0.0009333400000000, 0.0002704900000000, 0.0001715500000000 ] - [ 0.0000922200000000, 0.0001498000000000, 0.0000539800000000 ] - [ 0.0004554300000000, 0.0002695600000000, 0.0000574000000000 ] - [ -0.0025014500000000, -0.0015280000000000, -0.0001181300000000 ] - [ 0.0001929700000000, 0.0004512900000000, 0.0001278200000000 ] - [ 0.0001033400000000, 0.0003632600000000, 0.0003247500000000 ] - [ -0.0002367000000000, -0.0001954900000000, 0.0000559800000000 ] - [ 0.0002532100000000, -0.0007657800000000, -0.0000569800000000 ] - [ -0.0000829900000000, 0.0003827200000000, -0.0000012200000000 ] - [ 0.0006548300000000, -0.0019782400000000, 0.0002511100000000 ] - [ 0.0002661500000000, 0.0055276100000000, 0.0007511700000000 ] - [ -0.0003030200000000, -0.0000835300000000, -0.0002638300000000 ] - [ -0.0001856000000000, -0.0006732700000000, -0.0001863000000000 ] - [ 0.0001916100000000, 0.0018400900000000, -0.0005512300000000 ] - [ -0.0001730800000000, -0.0001435100000000, -0.0002611100000000 ] - [ 0.0011152000000000, -0.0000616400000000, -0.0001625900000000 ] - [ -0.0004216500000000, -0.0000674700000000, -0.0000406600000000 ] - [ -0.0001503700000000, 0.0004855500000000, -0.0002334800000000 ] - [ -0.0003377800000000, -0.0006860400000000, -0.0002050500000000 ] - [ 0.0001650500000000, 0.0002033400000000, -0.0002433200000000 ] - [ 0.0002236700000000, 0.0000802800000000, -0.0001727600000000 ] - [ -0.0004091600000000, 0.0006150900000000, -0.0001234100000000 ] - [ -0.0002434300000000, -0.0001703300000000, -0.0001893700000000 ] - [ -0.0011937300000000, -0.0014317700000000, -0.0005667600000000 ] - [ 0.0011045000000000, -0.0006898000000000, 0.0001459400000000 ] - [ -0.0003874600000000, -0.0009980700000000, -0.0007164000000000 ] - [ 0.0008031800000000, -0.0000345300000000, 0.0007941000000000 ] - [ -0.0006939500000000, 0.0015947300000000, 0.0010151000000000 ] - [ -0.0002695400000000, -0.0006710100000000, -0.0000603000000000 ] - [ 0.0005205600000000, -0.0002882900000000, 0.0002204300000000 ] - [ -0.0004738300000000, -0.0000122300000000, 0.0000731900000000 ] - [ 0.0030347100000000, 0.0015722500000000, 0.0050970800000000 ] - [ -0.0007045400000000, -0.0013345700000000, -0.0007325300000000 ] - [ -0.0003205900000000, 0.0004087600000000, 0.0000896600000000 ] - [ 0.0002833900000000, -0.0006396800000000, -0.0001156600000000 ] - [ -0.0006160000000000, -0.0012958600000000, -0.0001181000000000 ] - [ -0.0001400200000000, 0.0013090700000000, -0.0007992300000000 ] - [ 0.0813910100000000, 0.0792881700000000, -0.0055974300000000 ] - [ 0.0002749200000000, -0.0022246200000000, -0.0002767000000000 ] - [ 0.0007370500000000, 0.0044208400000000, 0.0086698600000000 ] - [ 0.0007308700000000, -0.0031647100000000, -0.0003892800000000 ] - [ -0.0318313500000000, 0.0374719100000000, 0.0035360800000000 ] - [ -0.0007527000000000, -0.0030698100000000, 0.0002307300000000 ] - [ -0.0004944500000000, 0.0000724600000000, 0.0001676000000000 ] - [ 0.0002361200000000, -0.0000067500000000, 0.0000072500000000 ] - [ 0.0004584300000000, 0.0024485300000000, -0.0006689100000000 ] - [ 0.0000674500000000, -0.0009558500000000, -0.0000689600000000 ] - [ 0.0009385600000000, 0.0012118100000000, -0.0109181600000000 ] - [ 0.0002861900000000, -0.0049739800000000, 0.0009301600000000 ] - [ -0.0048133100000000, 0.0002031200000000, 0.0016180000000000 ] - [ 0.0007373700000000, -0.0012691000000000, -0.0001860300000000 ] - [ 0.0000370600000000, -0.0005294800000000, 0.0001728500000000 ] - [ -0.0003092600000000, 0.0003644800000000, 0.0000761900000000 ] - [ -0.0021156300000000, 0.0016777600000000, -0.0035771900000000 ] - [ 0.0001674800000000, -0.0022409900000000, -0.0002479100000000 ] - [ 0.0010560100000000, -0.0013933000000000, -0.0003718300000000 ] - [ -0.0001138500000000, -0.0004184000000000, 0.0001198500000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000567200000000, -0.0000765700000000, 0.0001407400000000 ] - [ 0.0000150800000000, 0.0002191100000000, -0.0000358000000000 ] - [ -0.0109552400000000, 0.0005696600000000, -0.0072931300000000 ] - [ -0.0000850200000000, -0.0010782900000000, -0.0002492900000000 ] - [ 0.0001207000000000, -0.0001132000000000, -0.0011061500000000 ] - [ -0.0002670100000000, -0.0008270400000000, 0.0006779100000000 ] - [ -0.0012786800000000, 0.0012285700000000, -0.0011356600000000 ] - [ 0.0001251300000000, -0.0002954100000000, 0.0000821000000000 ] - [ 0.0047032500000000, -0.0018105100000000, -0.0042929700000000 ] - [ -0.0006419100000000, -0.0015125500000000, -0.0002550800000000 ] - [ -0.0002458500000000, 0.0000657400000000, 0.0000521300000000 ] - [ 0.0002226000000000, -0.0003352100000000, 0.0000101400000000 ] - [ 0.0003726800000000, 0.0000220200000000, 0.0003282300000000 ] - [ -0.0002332800000000, -0.0004202100000000, 0.0000534100000000 ] - [ 0.0003288700000000, -0.0005578400000000, -0.0002177900000000 ] - [ -0.0001096400000000, 0.0001941600000000, -0.0007262100000000 ] - [ -0.0000850200000000, -0.0000145900000000, 0.0004504900000000 ] - [ 0.0002834200000000, -0.0004226600000000, 0.0001024400000000 ] - [ 0.0080096900000000, -0.0022918000000000, 0.0065625800000000 ] - [ -0.0007745300000000, -0.0012591100000000, 0.0001393900000000 ] - [ 0.0001802900000000, 0.0006448000000000, 0.0010861300000000 ] - [ 0.0004708300000000, -0.0004932100000000, 0.0000396600000000 ] - [ -0.0002842100000000, -0.0006930900000000, -0.0000486000000000 ] - [ -0.0000987600000000, -0.0000335300000000, -0.0001605500000000 ] - [ -0.0077901700000000, 0.0016975000000000, 0.0073373400000000 ] - [ -0.0000127500000000, -0.0014495400000000, 0.0005001200000000 ] - [ 0.0000988300000000, -0.0001716500000000, -0.0000559300000000 ] - [ 0.0001595900000000, 0.0003862300000000, 0.0000094200000000 ] - [ -0.0005227400000000, 0.0010583100000000, 0.0003393100000000 ] - [ -0.0001354800000000, -0.0002386000000000, -0.0000862000000000 ] - [ 0.0060747700000000, 0.0045785500000000, 0.0003692800000000 ] - [ 0.0000704300000000, -0.0007060400000000, 0.0001810500000000 ] - [ 0.0005200900000000, -0.0002931300000000, 0.0009208100000000 ] - [ 0.0000785900000000, -0.0004713000000000, -0.0001170000000000 ] - [ 0.0010992500000000, -0.0012597400000000, 0.0007890200000000 ] - [ -0.0002459100000000, -0.0009205400000000, -0.0004175500000000 ] - [ 0.0011336600000000, 0.0057103000000000, -0.0008637200000000 ] - [ -0.0002678000000000, -0.0017755000000000, 0.0001420500000000 ] - [ -0.0009526300000000, -0.0012056500000000, 0.0001685300000000 ] - [ 0.0005859200000000, -0.0000938100000000, -0.0003280700000000 ] - [ 0.0010869100000000, -0.0029642000000000, -0.0013551800000000 ] - [ 0.0002976600000000, -0.0047054700000000, 0.0052347600000000 ] - [ -0.0009013700000000, 0.0020184000000000, -0.0001160100000000 ] - [ 0.0000732800000000, -0.0009305100000000, -0.0002199400000000 ] - [ 0.0001718200000000, 0.0001780900000000, -0.0001464000000000 ] - [ 0.0000318600000000, -0.0002882900000000, -0.0001981900000000 ] - [ 0.0006170500000000, 0.0024940400000000, -0.0000164700000000 ] - [ -0.0004322800000000, -0.0011977900000000, -0.0003721600000000 ] - [ -0.0090032200000000, -0.0112187400000000, -0.0083328100000000 ] - [ 0.0001559900000000, -0.0017608300000000, 0.0002092900000000 ] - [ -0.0001083000000000, -0.0000819300000000, 0.0008323300000000 ] - [ 0.0005019100000000, -0.0003365800000000, 0.0004857100000000 ] - [ -0.0001997900000000, -0.0002584000000000, 0.0003061400000000 ] - [ -0.0005853900000000, 0.0003863100000000, 0.0002920500000000 ] - [ 0.0000632200000000, 0.0003150200000000, 0.0001963700000000 ] - [ 0.0003580700000000, -0.0004969500000000, 0.0002532900000000 ] - [ 0.0001568700000000, -0.0004287600000000, 0.0002504300000000 ] - [ -0.0004407400000000, -0.0001565300000000, 0.0001340500000000 ] - [ -0.0013972200000000, 0.0009916500000000, 0.0003512600000000 ] - [ 0.0001273600000000, -0.0001827600000000, -0.0000664500000000 ] - [ -0.0003625500000000, 0.0000448400000000, -0.0017044200000000 ] - [ 0.0006920300000000, -0.0002971300000000, 0.0009337400000000 ] - [ -0.0083803100000000, -0.0012992400000000, 0.0074990700000000 ] - [ 0.0004096300000000, -0.0008488600000000, -0.0000559500000000 ] - [ 0.0610383600000000, 0.1369467900000000, -0.0049986000000000 ] - [ -0.0005459800000000, -0.0009339600000000, 0.0001167800000000 ] - [ -0.0002136900000000, -0.0005024400000000, -0.0000635700000000 ] - [ 0.0008493000000000, -0.0000050300000000, 0.0002240900000000 ] - [ -0.0008075600000000, 0.0003176200000000, 0.0001961100000000 ] - [ -0.0004597700000000, -0.0004632700000000, 0.0000759000000000 ] - [ 0.0009930100000000, 0.0000743800000000, 0.0001087700000000 ] - [ -0.0000026700000000, 0.0000698800000000, 0.0000271000000000 ] - [ 0.0002819000000000, 0.0002058200000000, 0.0001212600000000 ] - [ -0.0000862900000000, 0.0000794600000000, 0.0001201100000000 ] - [ 0.0021483600000000, 0.0011686900000000, 0.0002936700000000 ] - [ -0.0005559400000000, -0.0007976600000000, 0.0000504700000000 ] - [ 0.0002638800000000, -0.0007169000000000, -0.0001477500000000 ] - [ 0.0005878500000000, -0.0001459200000000, 0.0001232000000000 ] - [ -0.0002204600000000, 0.0005448500000000, 0.0000459200000000 ] - [ 0.0001220200000000, -0.0006037400000000, -0.0000064600000000 ] - [ -0.0001259900000000, 0.0015776100000000, -0.0006440400000000 ] - [ 0.0001520000000000, -0.0065907400000000, -0.0012349300000000 ] - [ -0.0000496800000000, -0.0007235300000000, -0.0000990600000000 ] - [ -0.0001669400000000, -0.0001354400000000, -0.0001771600000000 ] - [ -0.0005406100000000, -0.0010306700000000, 0.0001836500000000 ] - [ -0.0001788600000000, 0.0009536700000000, -0.0001022000000000 ] - [ -0.0007639300000000, 0.0008737600000000, -0.0002007700000000 ] - [ 0.0007684100000000, 0.0008688300000000, -0.0003195000000000 ] - [ -0.0003767000000000, -0.0008795000000000, -0.0001631400000000 ] - [ -0.0001858300000000, 0.0002904300000000, -0.0001906000000000 ] - [ 0.0003599900000000, 0.0001905400000000, -0.0001529900000000 ] - [ 0.0003025400000000, 0.0003122400000000, -0.0002260300000000 ] - [ -0.0001115700000000, -0.0002217800000000, -0.0002678800000000 ] - [ -0.0002825800000000, 0.0005640400000000, -0.0002076400000000 ] - [ 0.0015429100000000, 0.0006209300000000, 0.0002033000000000 ] - [ -0.0007522400000000, -0.0001195600000000, -0.0005129200000000 ] - [ 0.0005678700000000, 0.0010501200000000, 0.0008983700000000 ] - [ -0.0006226200000000, 0.0000877300000000, -0.0006049300000000 ] - [ 0.0005010900000000, -0.0015308000000000, -0.0008218900000000 ] - [ 0.0000884300000000, 0.0007318500000000, 0.0002488400000000 ] - [ -0.0003419500000000, 0.0002294800000000, -0.0000336600000000 ] - [ 0.0006520800000000, -0.0000578900000000, 0.0001200200000000 ] - [ -0.0033077700000000, -0.0013972400000000, -0.0052461200000000 ] - [ 0.0004481300000000, 0.0014971200000000, 0.0005922000000000 ] - [ 0.0005732600000000, -0.0005788000000000, -0.0002282600000000 ] - [ -0.0000280100000000, 0.0004719000000000, -0.0000214800000000 ] - [ 0.0003604400000000, 0.0011298600000000, -0.0000190400000000 ] - [ -0.0001226000000000, -0.0014763600000000, 0.0006613000000000 ] - [ -0.0788314800000000, -0.0788881700000000, 0.0055002400000000 ] - [ -0.0004537900000000, 0.0021635500000000, 0.0004670300000000 ] - [ -0.0004502500000000, -0.0042951300000000, -0.0087876200000000 ] - [ -0.0004645900000000, 0.0033329900000000, 0.0002422000000000 ] - [ 0.0309798400000000, -0.0378373900000000, -0.0035369400000000 ] - [ 0.0004710100000000, 0.0029451100000000, -0.0002871400000000 ] - [ 0.0007780100000000, 0.0000560400000000, -0.0002251400000000 ] - [ 0.0000447700000000, 0.0001347600000000, -0.0000631500000000 ] - [ -0.0007277600000000, -0.0023114000000000, 0.0006133100000000 ] - [ -0.0003548000000000, 0.0010847000000000, 0.0000112400000000 ] - [ -0.0009565000000000, -0.0010181400000000, 0.0107182600000000 ] - [ -0.0003360800000000, 0.0051325300000000, -0.0010982400000000 ] - [ 0.0048758700000000, -0.0003669400000000, -0.0017916500000000 ] - [ -0.0006872600000000, 0.0011127200000000, 0.0000221900000000 ] - [ -0.0000919100000000, 0.0003701100000000, -0.0003388300000000 ] - [ 0.0002492200000000, -0.0005226200000000, -0.0002402200000000 ] - [ 0.0021410800000000, -0.0015187700000000, 0.0033652900000000 ] - [ -0.0001151800000000, 0.0023999700000000, 0.0000830200000000 ] - [ -0.0007706400000000, 0.0012712900000000, 0.0003144800000000 ] - [ 0.0004060100000000, 0.0002783700000000, -0.0001758600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000130000000000, 0.0000468800000000, 0.0001316100000000 ] - [ -0.0000717400000000, 0.0001148400000000, 0.0001206100000000 ] - [ 0.0105936900000000, 0.0022560300000000, 0.0008050400000000 ] - [ -0.0001960100000000, -0.0003441300000000, -0.0004598700000000 ] - [ -0.0004426000000000, 0.0014694800000000, 0.0023185000000000 ] - [ -0.0001911300000000, -0.0005085800000000, 0.0009178200000000 ] - [ -0.0017424300000000, 0.0005056900000000, -0.0014818900000000 ] - [ -0.0000913900000000, 0.0002520300000000, -0.0003223900000000 ] - [ -0.0040280900000000, 0.0055597700000000, 0.0009500500000000 ] - [ -0.0005013300000000, -0.0006711500000000, -0.0007551600000000 ] - [ -0.0003058900000000, -0.0003689500000000, 0.0005203200000000 ] - [ 0.0000167700000000, -0.0000516600000000, 0.0002150200000000 ] - [ -0.0003993600000000, 0.0000600600000000, -0.0003651100000000 ] - [ -0.0000660600000000, -0.0000778100000000, -0.0000987200000000 ] - [ 0.0000002300000000, -0.0000915300000000, 0.0003235700000000 ] - [ 0.0002459100000000, 0.0009035500000000, 0.0018166900000000 ] - [ 0.0001861700000000, -0.0001941300000000, 0.0004376000000000 ] - [ 0.0002341000000000, -0.0002182500000000, 0.0003180500000000 ] - [ 0.0051134000000000, -0.0048342500000000, 0.0009934300000000 ] - [ -0.0002111800000000, 0.0006554200000000, -0.0002568900000000 ] - [ -0.0005187900000000, -0.0013538000000000, 0.0032423200000000 ] - [ -0.0000408900000000, 0.0004947800000000, 0.0006599800000000 ] - [ -0.0003432200000000, -0.0005755900000000, -0.0001936300000000 ] - [ -0.0002909800000000, -0.0000556400000000, -0.0001586800000000 ] - [ -0.0106072800000000, -0.0034962600000000, 0.0040749600000000 ] - [ -0.0004895200000000, 0.0001831800000000, -0.0003461700000000 ] - [ 0.0000397500000000, -0.0000683300000000, 0.0002488000000000 ] - [ -0.0000399800000000, 0.0004826900000000, 0.0004253500000000 ] - [ -0.0002690700000000, -0.0001250600000000, -0.0005066500000000 ] - [ -0.0002043400000000, 0.0000669400000000, -0.0000953900000000 ] - [ 0.0001477700000000, 0.0003898400000000, -0.0027122700000000 ] - [ 0.0001367400000000, 0.0001390500000000, -0.0001375800000000 ] - [ 0.0002178400000000, -0.0008370000000000, 0.0015151400000000 ] - [ 0.0001589900000000, 0.0001263300000000, 0.0004711000000000 ] - [ 0.0006354200000000, -0.0010130500000000, 0.0005237500000000 ] - [ -0.0000135700000000, 0.0009253800000000, 0.0004202300000000 ] - [ 0.0010867500000000, 0.0030489900000000, 0.0104180600000000 ] - [ 0.0001082900000000, 0.0003019600000000, -0.0000221200000000 ] - [ -0.0013574300000000, -0.0021526400000000, 0.0003480400000000 ] - [ -0.0002422300000000, 0.0007078500000000, 0.0001971200000000 ] - [ 0.0002446700000000, 0.0012582300000000, 0.0001985100000000 ] - [ 0.0008950000000000, -0.0058715500000000, 0.0019780000000000 ] - [ -0.0013787200000000, 0.0012787700000000, 0.0004250000000000 ] - [ -0.0000513400000000, -0.0005877600000000, -0.0001214100000000 ] - [ -0.0000102000000000, -0.0000059100000000, -0.0002201900000000 ] - [ 0.0000053600000000, 0.0000345200000000, -0.0002558000000000 ] - [ 0.0002738800000000, -0.0000688000000000, 0.0005236800000000 ] - [ -0.0001521500000000, 0.0001293600000000, -0.0001578800000000 ] - [ 0.0045302000000000, 0.0050216600000000, -0.0026917700000000 ] - [ 0.0001946700000000, -0.0005136400000000, -0.0006968000000000 ] - [ 0.0005084700000000, -0.0008476300000000, 0.0029828700000000 ] - [ 0.0005207000000000, -0.0000859000000000, 0.0007606000000000 ] - [ -0.0003703200000000, 0.0000712800000000, 0.0001125900000000 ] - [ -0.0007237500000000, 0.0001573900000000, -0.0002838800000000 ] - [ 0.0003979000000000, 0.0002422100000000, 0.0008655000000000 ] - [ 0.0002440600000000, -0.0000426900000000, 0.0005162800000000 ] - [ -0.0002882600000000, -0.0001846800000000, 0.0002561200000000 ] - [ -0.0005922800000000, -0.0003085500000000, 0.0004434800000000 ] - [ 0.0010886200000000, -0.0000678700000000, -0.0000896900000000 ] - [ 0.0000822400000000, 0.0000760800000000, -0.0000609700000000 ] - [ 0.0009895500000000, 0.0011779100000000, 0.0017603400000000 ] - [ 0.0006808700000000, 0.0000141500000000, 0.0010146000000000 ] - [ -0.0133832400000000, -0.0087220000000000, 0.0075683300000000 ] - [ 0.0002302200000000, -0.0000250300000000, -0.0002594700000000 ] - [ 0.0217542800000000, 0.0057099300000000, -0.0429624600000000 ] - [ -0.0003686700000000, 0.0001467100000000, -0.0002820800000000 ] - [ 0.0007667200000000, -0.0003339000000000, 0.0006533800000000 ] - [ 0.0008426200000000, -0.0000422200000000, 0.0005120000000000 ] - [ -0.0009646000000000, -0.0000723500000000, -0.0002440800000000 ] - [ -0.0005819200000000, -0.0001956800000000, -0.0000179200000000 ] - [ 0.0000828700000000, 0.0002364400000000, 0.0006378100000000 ] - [ 0.0001153800000000, 0.0001496900000000, 0.0006384400000000 ] - [ -0.0000742100000000, 0.0000834100000000, 0.0002912200000000 ] - [ -0.0000531300000000, 0.0001613500000000, 0.0003178400000000 ] - [ -0.0013765100000000, -0.0002871000000000, -0.0013533100000000 ] - [ -0.0004677600000000, -0.0002826800000000, -0.0001943900000000 ] - [ 0.0005741200000000, -0.0001446200000000, 0.0007774400000000 ] - [ 0.0005153500000000, -0.0001776400000000, 0.0010082600000000 ] - [ -0.0002164900000000, -0.0000374900000000, -0.0000467200000000 ] - [ -0.0000283400000000, -0.0001328000000000, 0.0000003900000000 ] - [ 0.0003828500000000, -0.0000550300000000, 0.0009646000000000 ] - [ -0.0002131700000000, -0.0003775700000000, 0.0023491500000000 ] - [ -0.0001391200000000, -0.0004184600000000, -0.0003470000000000 ] - [ -0.0001293900000000, -0.0003744500000000, -0.0002174900000000 ] - [ -0.0002069000000000, 0.0005894700000000, -0.0033497700000000 ] - [ -0.0002137500000000, 0.0004342300000000, -0.0003166500000000 ] - [ 0.0009678600000000, -0.0000434900000000, 0.0000651800000000 ] - [ 0.0008645500000000, 0.0011783800000000, 0.0001149800000000 ] - [ 0.0000797300000000, -0.0002994300000000, -0.0010785600000000 ] - [ -0.0001163300000000, -0.0001474900000000, -0.0004034500000000 ] - [ 0.0004041300000000, 0.0003226700000000, -0.0000161800000000 ] - [ 0.0003123100000000, 0.0001286600000000, -0.0000633600000000 ] - [ -0.0004336100000000, 0.0001112700000000, -0.0007044800000000 ] - [ -0.0003489600000000, 0.0002470200000000, -0.0003433600000000 ] - [ -0.0004344000000000, -0.0006391400000000, -0.0001446400000000 ] - [ -0.0003029600000000, -0.0003378900000000, 0.0001437300000000 ] - [ -0.0007411800000000, 0.0007753100000000, -0.0025751600000000 ] - [ -0.0004811100000000, -0.0000042600000000, -0.0011887100000000 ] - [ 0.0001759700000000, 0.0004261900000000, 0.0016524500000000 ] - [ 0.0001702100000000, 0.0001241600000000, 0.0004264700000000 ] - [ 0.0005045000000000, -0.0000996500000000, -0.0003352100000000 ] - [ 0.0005268300000000, -0.0001677000000000, -0.0007581200000000 ] - [ -0.0016716600000000, 0.0011131800000000, -0.0033025300000000 ] - [ 0.0001825900000000, -0.0006558000000000, -0.0002448600000000 ] - [ 0.0003747600000000, -0.0001551200000000, -0.0000089600000000 ] - [ 0.0001406400000000, -0.0000471000000000, -0.0000832300000000 ] - [ 0.0006902200000000, 0.0009366300000000, -0.0001443800000000 ] - [ 0.0009775100000000, -0.0012328900000000, 0.0000629300000000 ] - [ -0.0097057800000000, -0.0038635900000000, 0.0170056600000000 ] - [ -0.0003696600000000, 0.0001604900000000, 0.0009393600000000 ] - [ 0.0025025600000000, 0.0069221500000000, -0.0102924000000000 ] - [ 0.0005981900000000, -0.0009638000000000, -0.0003786300000000 ] - [ -0.0085929500000000, 0.0029471300000000, 0.0212614600000000 ] - [ 0.0001650300000000, 0.0000496800000000, 0.0015427300000000 ] - [ 0.0002898900000000, 0.0003707400000000, -0.0009051700000000 ] - [ 0.0000610900000000, -0.0001206400000000, -0.0007449600000000 ] - [ 0.0005065200000000, -0.0006906600000000, 0.0013528200000000 ] - [ -0.0004002700000000, 0.0001778000000000, 0.0005458100000000 ] - [ -0.0027877800000000, -0.0084398400000000, -0.0043905200000000 ] - [ -0.0006205500000000, 0.0033246100000000, -0.0000818700000000 ] - [ 0.0066286200000000, 0.0009723000000000, -0.0041202400000000 ] - [ -0.0001584500000000, -0.0005423000000000, -0.0002517800000000 ] - [ 0.0002037300000000, -0.0000429500000000, -0.0001266700000000 ] - [ 0.0007814900000000, -0.0001298700000000, 0.0001191500000000 ] - [ -0.0020416700000000, -0.0007544000000000, -0.0037849600000000 ] - [ 0.0001981300000000, 0.0008812500000000, -0.0001473000000000 ] - [ 0.0004004500000000, -0.0004606500000000, -0.0028322300000000 ] - [ 0.0003191200000000, 0.0003073200000000, -0.0036681400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001422600000000, 0.0001608900000000, -0.0002321600000000 ] - [ 0.0001999900000000, 0.0000943100000000, -0.0002210200000000 ] - [ -0.0107624800000000, -0.0025009300000000, -0.0008835900000000 ] - [ 0.0000676400000000, 0.0001346100000000, 0.0003591700000000 ] - [ 0.0005656600000000, -0.0016718000000000, -0.0024157200000000 ] - [ 0.0003161400000000, 0.0002954700000000, -0.0010155700000000 ] - [ 0.0016184300000000, -0.0003011400000000, 0.0013908800000000 ] - [ -0.0000352000000000, -0.0000430200000000, 0.0002247200000000 ] - [ 0.0037564500000000, -0.0053257900000000, -0.0009588800000000 ] - [ 0.0002627900000000, 0.0008445000000000, 0.0007405500000000 ] - [ 0.0005431400000000, 0.0001940600000000, -0.0005312900000000 ] - [ 0.0002209500000000, -0.0001246900000000, -0.0002257600000000 ] - [ 0.0001645500000000, -0.0002356700000000, 0.0003554000000000 ] - [ -0.0001682100000000, -0.0000957400000000, 0.0000864700000000 ] - [ 0.0002333800000000, 0.0002677900000000, -0.0003326100000000 ] - [ -0.0000191200000000, -0.0007308300000000, -0.0018261600000000 ] - [ 0.0001946100000000, -0.0002594800000000, -0.0000405600000000 ] - [ 0.0001383300000000, -0.0002344900000000, 0.0000925100000000 ] - [ -0.0054951800000000, 0.0053301600000000, -0.0005603700000000 ] - [ -0.0001606100000000, -0.0001981000000000, 0.0006652900000000 ] - [ 0.0008874000000000, 0.0017996000000000, -0.0028271200000000 ] - [ 0.0004121200000000, -0.0000385800000000, -0.0002536800000000 ] - [ -0.0000257600000000, 0.0001240600000000, 0.0006082500000000 ] - [ -0.0000828000000000, -0.0003991700000000, 0.0005650200000000 ] - [ 0.0099384600000000, 0.0032309800000000, -0.0040233400000000 ] - [ -0.0000281900000000, -0.0003824100000000, 0.0003359600000000 ] - [ 0.0004856600000000, 0.0002669900000000, -0.0002633200000000 ] - [ 0.0005635100000000, -0.0002812200000000, -0.0004327400000000 ] - [ -0.0002466500000000, 0.0003260100000000, 0.0005017100000000 ] - [ -0.0003164100000000, 0.0001303800000000, 0.0000814400000000 ] - [ -0.0005132600000000, -0.0000439600000000, 0.0028969600000000 ] - [ -0.0005117800000000, 0.0002129800000000, 0.0003149000000000 ] - [ 0.0002997600000000, 0.0006369800000000, -0.0015179900000000 ] - [ 0.0003594800000000, -0.0003278700000000, -0.0004776900000000 ] - [ -0.0006696900000000, 0.0012261900000000, -0.0005309300000000 ] - [ -0.0000182200000000, -0.0007045600000000, -0.0004282200000000 ] - [ -0.0010091100000000, -0.0027702900000000, -0.0102251300000000 ] - [ -0.0000697500000000, -0.0000855900000000, 0.0000117100000000 ] - [ 0.0013164300000000, 0.0019381600000000, -0.0003558200000000 ] - [ 0.0002069500000000, -0.0009243000000000, -0.0002053300000000 ] - [ 0.0000180000000000, -0.0013325200000000, -0.0006186800000000 ] - [ -0.0006278400000000, 0.0057553100000000, -0.0023807900000000 ] - [ 0.0011218700000000, -0.0012162300000000, -0.0008419500000000 ] - [ -0.0002117100000000, 0.0006648500000000, -0.0002971400000000 ] - [ 0.0002695600000000, 0.0000676600000000, -0.0001972900000000 ] - [ 0.0002602500000000, 0.0000389700000000, -0.0001652200000000 ] - [ -0.0005347800000000, 0.0000023400000000, -0.0009363500000000 ] - [ -0.0001076000000000, -0.0001964100000000, -0.0002576300000000 ] - [ -0.0050343100000000, -0.0050834800000000, 0.0030930400000000 ] - [ -0.0006980300000000, 0.0004470200000000, 0.0011410600000000 ] - [ -0.0000069200000000, 0.0009266500000000, -0.0025488200000000 ] - [ -0.0000145700000000, 0.0001439900000000, -0.0003060900000000 ] - [ -0.0001356400000000, -0.0000117600000000, 0.0003403400000000 ] - [ 0.0002177400000000, -0.0001001300000000, 0.0007363600000000 ] - [ 0.0001069400000000, -0.0003074700000000, -0.0004144300000000 ] - [ 0.0002619500000000, -0.0000231800000000, -0.0000644200000000 ] - [ 0.0001386800000000, -0.0002698000000000, -0.0000155000000000 ] - [ 0.0004380000000000, -0.0001487200000000, -0.0001961400000000 ] - [ -0.0009311900000000, 0.0005196900000000, 0.0003250400000000 ] - [ 0.0000727300000000, 0.0003771900000000, 0.0002992600000000 ] - [ -0.0011362000000000, -0.0007095000000000, -0.0015068400000000 ] - [ -0.0008297600000000, 0.0004373600000000, -0.0007781500000000 ] - [ 0.0136190800000000, 0.0083580400000000, -0.0073713300000000 ] - [ -0.0000803200000000, -0.0004327100000000, 0.0005080200000000 ] - [ -0.0223355500000000, -0.0047453700000000, 0.0428126800000000 ] - [ -0.0005528300000000, 0.0001898100000000, 0.0004787000000000 ] - [ 0.0001435000000000, -0.0000150600000000, -0.0004583900000000 ] - [ 0.0000939700000000, -0.0002869200000000, -0.0003139700000000 ] - [ 0.0000334600000000, -0.0002620400000000, 0.0004420700000000 ] - [ -0.0003497200000000, -0.0001398400000000, 0.0002155900000000 ] - [ 0.0008417600000000, 0.0001012500000000, -0.0004393400000000 ] - [ 0.0008040900000000, 0.0001865200000000, -0.0004400400000000 ] - [ 0.0004443400000000, 0.0002760800000000, -0.0001160200000000 ] - [ 0.0004279300000000, 0.0001968400000000, -0.0001420800000000 ] - [ 0.0010433200000000, -0.0000680000000000, 0.0015285600000000 ] - [ 0.0001017000000000, -0.0000700700000000, 0.0003717800000000 ] - [ -0.0001894800000000, -0.0002191300000000, -0.0006038000000000 ] - [ -0.0001497500000000, -0.0001730300000000, -0.0008289100000000 ] - [ 0.0002453000000000, -0.0001734900000000, 0.0000350800000000 ] - [ 0.0000646500000000, -0.0000903700000000, -0.0000108000000000 ] - [ 0.0001423700000000, -0.0003358300000000, -0.0013604600000000 ] - [ 0.0007416900000000, -0.0000122800000000, -0.0027362800000000 ] - [ -0.0002131800000000, -0.0003892100000000, -0.0000169700000000 ] - [ -0.0002215800000000, -0.0004340300000000, -0.0001457700000000 ] - [ -0.0001472500000000, 0.0002132600000000, 0.0030057400000000 ] - [ -0.0001369100000000, 0.0003760500000000, -0.0000475000000000 ] - [ -0.0006177300000000, 0.0008558200000000, -0.0004280300000000 ] - [ -0.0005121600000000, -0.0003667600000000, -0.0004779100000000 ] - [ -0.0006041000000000, -0.0000970400000000, 0.0006802900000000 ] - [ -0.0004065100000000, -0.0002473000000000, 0.0000100200000000 ] - [ 0.0001191900000000, 0.0000712200000000, -0.0003761100000000 ] - [ 0.0002120000000000, 0.0002645300000000, -0.0003303000000000 ] - [ -0.0000924700000000, 0.0002822400000000, 0.0003099600000000 ] - [ -0.0001778300000000, 0.0001470300000000, -0.0000536700000000 ] - [ 0.0007908800000000, -0.0001651300000000, -0.0002152600000000 ] - [ 0.0006556300000000, -0.0004732900000000, -0.0005059600000000 ] - [ 0.0009237300000000, -0.0007178500000000, 0.0027685900000000 ] - [ 0.0006521400000000, 0.0000611700000000, 0.0013845000000000 ] - [ -0.0003618800000000, -0.0003679900000000, -0.0014561300000000 ] - [ -0.0003482000000000, -0.0000625600000000, -0.0002285700000000 ] - [ -0.0003286200000000, 0.0000387900000000, 0.0005256500000000 ] - [ -0.0003482800000000, 0.0000968200000000, 0.0009526700000000 ] - [ 0.0014011600000000, -0.0009484600000000, 0.0031365700000000 ] - [ -0.0004441900000000, 0.0008222800000000, 0.0001022200000000 ] - [ -0.0001168300000000, -0.0000153500000000, -0.0001188600000000 ] - [ 0.0001229900000000, -0.0001191400000000, -0.0000575800000000 ] - [ -0.0009548400000000, -0.0011047000000000, 0.0000013500000000 ] - [ -0.0012456500000000, 0.0010662300000000, -0.0002034000000000 ] - [ 0.0088918500000000, 0.0032746600000000, -0.0166038600000000 ] - [ 0.0001928000000000, -0.0002214300000000, -0.0007482700000000 ] - [ -0.0022068800000000, -0.0067070700000000, 0.0101389400000000 ] - [ -0.0003360100000000, 0.0011354100000000, 0.0002396800000000 ] - [ 0.0086137200000000, -0.0032642200000000, -0.0214201000000000 ] - [ -0.0004500000000000, -0.0001754400000000, -0.0015980500000000 ] - [ -0.0000066100000000, -0.0002429600000000, 0.0008481400000000 ] - [ 0.0002201600000000, 0.0002491500000000, 0.0006865200000000 ] - [ -0.0007697700000000, 0.0008239100000000, -0.0014121500000000 ] - [ 0.0001160600000000, -0.0000483900000000, -0.0006051300000000 ] - [ 0.0027233100000000, 0.0085400600000000, 0.0042710700000000 ] - [ 0.0005675800000000, -0.0031583300000000, -0.0000808800000000 ] - [ -0.0065655900000000, -0.0011270100000000, 0.0039425200000000 ] - [ 0.0002108900000000, 0.0003830500000000, 0.0000825600000000 ] - [ -0.0002570500000000, -0.0001154500000000, -0.0000380300000000 ] - [ -0.0008346000000000, -0.0000309700000000, -0.0002837700000000 ] - [ 0.0020924700000000, 0.0009109100000000, 0.0035856300000000 ] - [ -0.0001449800000000, -0.0007161700000000, -0.0000214700000000 ] - [ -0.0001143800000000, 0.0003308800000000, 0.0027689900000000 ] - [ -0.0000308200000000, -0.0004279000000000, 0.0036054100000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003504500000000, 0.0000658500000000, 0.0001034800000000 ] - [ -0.0001190900000000, 0.0001403500000000, -0.0000119900000000 ] - [ -0.0000449000000000, -0.0008689300000000, -0.0000464400000000 ] - [ -0.0002392900000000, 0.0027200500000000, -0.0008956300000000 ] - [ 0.0008391300000000, 0.0001293300000000, -0.0004047600000000 ] - [ 0.0003017300000000, -0.0000849200000000, -0.0001663000000000 ] - [ -0.0008779500000000, 0.0006198900000000, -0.0003476700000000 ] - [ -0.0004785300000000, -0.0002521600000000, 0.0001021000000000 ] - [ 0.0026170000000000, -0.0017773700000000, 0.0023442500000000 ] - [ 0.0007546700000000, 0.0003862700000000, 0.0000394500000000 ] - [ -0.0005484400000000, 0.0000028900000000, 0.0004993600000000 ] - [ -0.0001609900000000, -0.0002377800000000, 0.0002387300000000 ] - [ -0.0005630400000000, 0.0000596400000000, -0.0002146400000000 ] - [ -0.0010645000000000, -0.0000867200000000, -0.0003671600000000 ] - [ 0.0009271700000000, -0.0000959200000000, -0.0013383700000000 ] - [ 0.0004093200000000, -0.0001086000000000, -0.0003204800000000 ] - [ -0.0001450000000000, -0.0002698000000000, 0.0003086200000000 ] - [ 0.0000169400000000, -0.0002469500000000, 0.0002354400000000 ] - [ 0.0030924800000000, 0.0012103200000000, 0.0017660800000000 ] - [ 0.0005853600000000, 0.0009194800000000, 0.0004290200000000 ] - [ 0.0004407500000000, 0.0002775200000000, 0.0000587300000000 ] - [ 0.0010093100000000, -0.0001915600000000, -0.0000600100000000 ] - [ -0.0009514500000000, -0.0005376700000000, 0.0000167900000000 ] - [ -0.0005366700000000, -0.0000350600000000, 0.0001964200000000 ] - [ 0.0001118000000000, -0.0005999100000000, 0.0002651100000000 ] - [ 0.0009289600000000, 0.0023519800000000, 0.0022518400000000 ] - [ -0.0004444000000000, -0.0000171300000000, 0.0004162100000000 ] - [ -0.0000225200000000, 0.0002144300000000, 0.0001875600000000 ] - [ -0.0009093200000000, 0.0002228800000000, -0.0002943900000000 ] - [ -0.0008148000000000, -0.0001329200000000, -0.0003482500000000 ] - [ -0.0008779300000000, 0.0011273100000000, 0.0000021700000000 ] - [ -0.0015771600000000, -0.0015671700000000, -0.0000944100000000 ] - [ 0.0011218100000000, -0.0000166700000000, -0.0010845900000000 ] - [ 0.0005920300000000, 0.0000730700000000, -0.0002711600000000 ] - [ -0.0007438600000000, 0.0000699400000000, -0.0014306500000000 ] - [ -0.0000643900000000, 0.0003108600000000, -0.0001169900000000 ] - [ 0.0011758300000000, 0.0006896400000000, -0.0002828600000000 ] - [ 0.0007851000000000, -0.0000788400000000, -0.0000873100000000 ] - [ -0.0016166100000000, 0.0000378000000000, 0.0011462200000000 ] - [ -0.0000695300000000, -0.0000605200000000, 0.0001007500000000 ] - [ 0.0033579600000000, -0.0004862600000000, 0.0000409800000000 ] - [ 0.0004528600000000, -0.0000247300000000, -0.0002432100000000 ] - [ -0.0005197500000000, 0.0005867300000000, 0.0000482100000000 ] - [ -0.0003495700000000, -0.0005486200000000, 0.0000435300000000 ] - [ -0.0003943700000000, -0.0002296600000000, -0.0001221400000000 ] - [ -0.0001524400000000, -0.0000175700000000, -0.0001718900000000 ] - [ -0.0006234100000000, -0.0009786600000000, -0.0008194400000000 ] - [ -0.0002425600000000, 0.0010300800000000, -0.0009361000000000 ] - [ 0.0014152000000000, 0.0029074000000000, -0.0023584100000000 ] - [ 0.0002101300000000, -0.0004352800000000, -0.0002355700000000 ] - [ 0.0004307800000000, 0.0000345300000000, 0.0007265700000000 ] - [ 0.0004144400000000, -0.0001574800000000, 0.0004963100000000 ] - [ -0.0012816100000000, 0.0000963200000000, 0.0008513200000000 ] - [ -0.0006816000000000, -0.0001179300000000, 0.0004977800000000 ] - [ 0.0000293800000000, -0.0002356600000000, -0.0000449900000000 ] - [ -0.0001510000000000, -0.0000703000000000, -0.0003435700000000 ] - [ -0.0005292800000000, -0.0002285300000000, 0.0001660400000000 ] - [ -0.0002660900000000, -0.0002103300000000, 0.0000323100000000 ] - [ -0.0003512900000000, 0.0001411000000000, 0.0002157400000000 ] - [ -0.0013237000000000, 0.0006081900000000, 0.0002897700000000 ] - [ 0.0000672200000000, 0.0000883500000000, -0.0007904600000000 ] - [ 0.0000762100000000, 0.0001988900000000, 0.0001154600000000 ] - [ -0.0005001500000000, 0.0016596100000000, 0.0010539200000000 ] - [ 0.0001985300000000, -0.0007027700000000, 0.0003170500000000 ] - [ 0.0019689000000000, 0.0005594000000000, 0.0002193700000000 ] - [ 0.0041719600000000, 0.0002207100000000, -0.0003763400000000 ] - [ 0.0002744400000000, -0.0003219700000000, 0.0002706200000000 ] - [ 0.0004780400000000, -0.0001555900000000, 0.0001844600000000 ] - [ -0.0014984700000000, -0.0001361600000000, 0.0001484900000000 ] - [ -0.0016218200000000, -0.0000675400000000, 0.0002414500000000 ] - [ 0.0003294000000000, 0.0000600200000000, -0.0002446000000000 ] - [ 0.0004411600000000, 0.0002398400000000, -0.0000460500000000 ] - [ -0.0005994600000000, 0.0000160600000000, 0.0001144300000000 ] - [ -0.0002339900000000, 0.0001419700000000, 0.0000932400000000 ] - [ -0.0012513300000000, -0.0010375000000000, 0.0002640500000000 ] - [ -0.0011484000000000, 0.0005907400000000, 0.0005519200000000 ] - [ 0.0013000500000000, -0.0003689100000000, 0.0000181600000000 ] - [ 0.0006077300000000, -0.0002088000000000, 0.0000440500000000 ] - [ -0.0003083000000000, -0.0000228500000000, -0.0000061800000000 ] - [ -0.0003886300000000, 0.0000492800000000, 0.0000414300000000 ] - [ -0.0096321100000000, -0.0051879600000000, -0.0048809800000000 ] - [ -0.0000771100000000, -0.0002288400000000, -0.0002648300000000 ] - [ 0.0002039100000000, -0.0003976800000000, -0.0001383800000000 ] - [ 0.0002432500000000, -0.0004455700000000, -0.0000738500000000 ] - [ -0.0007349700000000, 0.0003128000000000, -0.0003148800000000 ] - [ -0.0007605700000000, 0.0006373400000000, -0.0004919800000000 ] - [ 0.0022147700000000, 0.0008592100000000, -0.0020417000000000 ] - [ 0.0002050700000000, 0.0002978800000000, -0.0003138400000000 ] - [ -0.0003148700000000, -0.0000957500000000, -0.0000814500000000 ] - [ -0.0003139000000000, -0.0003101800000000, -0.0000853500000000 ] - [ 0.0008786300000000, 0.0002489700000000, -0.0001612100000000 ] - [ 0.0005405700000000, 0.0001593000000000, -0.0001706100000000 ] - [ -0.0001692600000000, 0.0000829100000000, -0.0002725900000000 ] - [ -0.0001880800000000, 0.0002901500000000, -0.0002814100000000 ] - [ 0.0019984200000000, -0.0004910600000000, 0.0014034900000000 ] - [ 0.0001797100000000, -0.0004666400000000, -0.0000618600000000 ] - [ -0.0005160600000000, 0.0006580800000000, 0.0001728000000000 ] - [ -0.0002524700000000, 0.0002580600000000, -0.0000417000000000 ] - [ 0.0013505300000000, 0.0005147800000000, -0.0000219700000000 ] - [ 0.0020702000000000, -0.0004825800000000, -0.0006790600000000 ] - [ 0.0008825700000000, 0.0003723800000000, 0.0005070100000000 ] - [ 0.0004524200000000, 0.0001270900000000, 0.0003248200000000 ] - [ 0.0009419600000000, 0.0025486200000000, 0.0048679400000000 ] - [ -0.0006794500000000, -0.0009918300000000, 0.0002327000000000 ] - [ 0.0010096600000000, 0.0000566000000000, 0.0000433600000000 ] - [ 0.0007665400000000, -0.0001465500000000, 0.0000493200000000 ] - [ 0.0016449700000000, 0.0011606000000000, -0.0007214100000000 ] - [ 0.0003366700000000, -0.0005305300000000, -0.0001956300000000 ] - [ -0.0006163700000000, -0.0058943200000000, -0.0004512800000000 ] - [ -0.0008628800000000, 0.0034147800000000, 0.0004476900000000 ] - [ -0.0008338800000000, 0.0000676100000000, -0.0003400800000000 ] - [ -0.0042520500000000, 0.0012217900000000, -0.0018356500000000 ] - [ -0.0010612200000000, 0.0052583900000000, -0.0020297800000000 ] - [ -0.0037902500000000, -0.0070405400000000, -0.0020499700000000 ] - [ 0.0013833300000000, 0.0001292600000000, -0.0007199600000000 ] - [ 0.0006317300000000, 0.0000497700000000, -0.0003329800000000 ] - [ 0.0016125900000000, -0.0004617000000000, 0.0004929100000000 ] - [ 0.0026255100000000, 0.0008463800000000, 0.0004279400000000 ] - [ -0.0063021700000000, -0.0018099000000000, 0.0034856600000000 ] - [ -0.0010551000000000, 0.0001154000000000, 0.0002428100000000 ] - [ 0.0020158400000000, -0.0016419100000000, -0.0018945600000000 ] - [ 0.0002763900000000, 0.0005985200000000, -0.0006880800000000 ] - [ 0.0016519600000000, -0.0000791500000000, -0.0004621300000000 ] - [ 0.0007274200000000, -0.0001818000000000, -0.0001740700000000 ] - [ 0.0003929300000000, 0.0008764600000000, 0.0004127900000000 ] - [ 0.0026688000000000, -0.0011579400000000, 0.0044278800000000 ] - [ -0.0014186800000000, 0.0001772100000000, 0.0014077300000000 ] - [ -0.0003706100000000, -0.0001269200000000, 0.0004543800000000 ]- atom: 81 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004800000000000, 0.0001390900000000, -0.0002042900000000 ] - [ 0.0002475100000000, 0.0000651900000000, -0.0000887200000000 ] - [ -0.0000893900000000, 0.0006597200000000, -0.0000551700000000 ] - [ 0.0000248700000000, -0.0028762900000000, 0.0007652300000000 ] - [ -0.0007116500000000, -0.0003364600000000, 0.0003081000000000 ] - [ -0.0001726700000000, -0.0001197300000000, 0.0000683000000000 ] - [ 0.0007466900000000, -0.0004085900000000, 0.0002474300000000 ] - [ 0.0003501500000000, 0.0004522100000000, -0.0001987800000000 ] - [ -0.0028720000000000, 0.0019338700000000, -0.0023517100000000 ] - [ -0.0009915100000000, -0.0002134700000000, -0.0000490400000000 ] - [ 0.0007792700000000, -0.0001705600000000, -0.0005103900000000 ] - [ 0.0003913400000000, 0.0000685200000000, -0.0002514700000000 ] - [ 0.0003326800000000, -0.0002286800000000, 0.0002012100000000 ] - [ 0.0008316900000000, -0.0000814000000000, 0.0003513600000000 ] - [ -0.0007029200000000, 0.0002680200000000, 0.0013265900000000 ] - [ -0.0001775000000000, 0.0002785700000000, 0.0003079400000000 ] - [ 0.0005178900000000, -0.0001804700000000, 0.0001031000000000 ] - [ 0.0003550500000000, -0.0002090600000000, 0.0001707300000000 ] - [ -0.0035158200000000, -0.0008765500000000, -0.0014029500000000 ] - [ -0.0009661200000000, -0.0004661700000000, -0.0000265000000000 ] - [ -0.0000709700000000, 0.0001766700000000, 0.0003532800000000 ] - [ -0.0006409700000000, 0.0006479200000000, 0.0004702200000000 ] - [ 0.0005764000000000, 0.0000828100000000, 0.0003923900000000 ] - [ 0.0001655400000000, -0.0004194600000000, 0.0002100700000000 ] - [ -0.0006319900000000, 0.0004024000000000, -0.0002769500000000 ] - [ -0.0014655600000000, -0.0025534900000000, -0.0022679900000000 ] - [ 0.0009601100000000, 0.0002141300000000, -0.0004234900000000 ] - [ 0.0005327500000000, -0.0000197600000000, -0.0001957900000000 ] - [ 0.0003862900000000, -0.0000246700000000, 0.0002797500000000 ] - [ 0.0003006800000000, 0.0003256600000000, 0.0003371400000000 ] - [ 0.0005078000000000, -0.0007694700000000, 0.0001717600000000 ] - [ 0.0012125700000000, 0.0018931200000000, 0.0002718000000000 ] - [ -0.0006019000000000, -0.0001799300000000, 0.0010635100000000 ] - [ -0.0000736900000000, -0.0002705000000000, 0.0002616600000000 ] - [ 0.0007016600000000, 0.0001594100000000, 0.0014341600000000 ] - [ 0.0000256800000000, -0.0000940000000000, 0.0001076700000000 ] - [ -0.0011327400000000, -0.0004670700000000, 0.0002726100000000 ] - [ -0.0007482500000000, 0.0003021000000000, 0.0000800900000000 ] - [ 0.0015645700000000, -0.0002506300000000, -0.0011413400000000 ] - [ 0.0000332600000000, -0.0001552300000000, -0.0001108700000000 ] - [ -0.0030984300000000, 0.0004153300000000, -0.0004380700000000 ] - [ -0.0001830400000000, -0.0000463200000000, -0.0001778000000000 ] - [ 0.0002575700000000, -0.0005190500000000, -0.0004657700000000 ] - [ 0.0000914700000000, 0.0006128600000000, -0.0004572700000000 ] - [ 0.0006611800000000, 0.0003058000000000, -0.0002985200000000 ] - [ 0.0004167600000000, 0.0000824100000000, -0.0002490100000000 ] - [ 0.0003529800000000, 0.0009015200000000, 0.0003973100000000 ] - [ -0.0000205400000000, -0.0010990800000000, 0.0005205000000000 ] - [ -0.0018607600000000, -0.0030202200000000, 0.0028238800000000 ] - [ -0.0007095600000000, 0.0003860500000000, 0.0006956300000000 ] - [ 0.0000807100000000, 0.0000264700000000, -0.0002667100000000 ] - [ 0.0000934900000000, 0.0002375100000000, -0.0000527400000000 ] - [ 0.0007755200000000, -0.0000276300000000, -0.0004018800000000 ] - [ 0.0001739800000000, 0.0001966700000000, -0.0000527900000000 ] - [ 0.0004775500000000, 0.0001839000000000, 0.0005051100000000 ] - [ 0.0006566200000000, 0.0000019400000000, 0.0007969700000000 ] - [ 0.0003693600000000, -0.0002269700000000, 0.0000750800000000 ] - [ 0.0001095000000000, -0.0002385700000000, 0.0001931600000000 ] - [ 0.0005096700000000, 0.0003209000000000, 0.0000462100000000 ] - [ 0.0014796800000000, -0.0001531500000000, -0.0000406600000000 ] - [ -0.0002172000000000, 0.0003629100000000, 0.0010301200000000 ] - [ -0.0002329300000000, 0.0002641900000000, 0.0001489100000000 ] - [ 0.0006620400000000, -0.0021086300000000, -0.0008005400000000 ] - [ -0.0000332200000000, 0.0002520400000000, -0.0000885400000000 ] - [ -0.0028855000000000, -0.0002226600000000, -0.0000224000000000 ] - [ -0.0051198200000000, 0.0000964000000000, 0.0005759900000000 ] - [ 0.0006672900000000, -0.0000086700000000, -0.0000699100000000 ] - [ 0.0004389800000000, -0.0001917100000000, 0.0000125800000000 ] - [ 0.0005785100000000, -0.0002061900000000, 0.0000479700000000 ] - [ 0.0006902600000000, -0.0002670800000000, -0.0000429600000000 ] - [ 0.0005954200000000, 0.0002744900000000, 0.0004420400000000 ] - [ 0.0005023100000000, 0.0000813700000000, 0.0002447300000000 ] - [ 0.0009634000000000, 0.0003390600000000, 0.0000623600000000 ] - [ 0.0005881300000000, 0.0002001000000000, 0.0000870800000000 ] - [ 0.0008670700000000, 0.0006782500000000, -0.0000882200000000 ] - [ 0.0007766100000000, -0.0009518500000000, -0.0003769700000000 ] - [ -0.0009342600000000, 0.0000217700000000, 0.0001617100000000 ] - [ -0.0002254400000000, -0.0001565000000000, 0.0001295100000000 ] - [ 0.0003491700000000, -0.0001992800000000, -0.0000033400000000 ] - [ 0.0004178400000000, -0.0002677500000000, -0.0000544800000000 ] - [ 0.0102759500000000, 0.0049188800000000, 0.0045963800000000 ] - [ 0.0006028800000000, -0.0001672900000000, -0.0001313100000000 ] - [ -0.0005543200000000, -0.0004117500000000, -0.0002260800000000 ] - [ -0.0005941300000000, -0.0003617800000000, -0.0002901400000000 ] - [ 0.0003827700000000, 0.0004970200000000, -0.0000473900000000 ] - [ 0.0004055000000000, 0.0001700800000000, 0.0001300500000000 ] - [ -0.0018796000000000, -0.0000543500000000, 0.0017005600000000 ] - [ 0.0001482900000000, 0.0005119000000000, -0.0000494000000000 ] - [ -0.0002085800000000, -0.0002996800000000, -0.0003138900000000 ] - [ -0.0002098200000000, -0.0000859900000000, -0.0003111700000000 ] - [ -0.0003523800000000, 0.0001454400000000, -0.0002347000000000 ] - [ -0.0000138300000000, 0.0002352800000000, -0.0002262200000000 ] - [ -0.0003570800000000, 0.0003113200000000, -0.0001248500000000 ] - [ -0.0003356400000000, 0.0001040900000000, -0.0001130500000000 ] - [ -0.0016336200000000, -0.0003219600000000, -0.0017483200000000 ] - [ 0.0001697100000000, -0.0003418000000000, -0.0003007900000000 ] - [ 0.0006855900000000, -0.0005980500000000, 0.0000077500000000 ] - [ 0.0004288600000000, -0.0001888700000000, 0.0002288600000000 ] - [ -0.0015234000000000, -0.0004614900000000, 0.0002105700000000 ] - [ -0.0022461800000000, 0.0005522000000000, 0.0008675200000000 ] - [ -0.0007037300000000, -0.0004299700000000, -0.0003146100000000 ] - [ -0.0002741100000000, -0.0001838800000000, -0.0001318300000000 ] - [ -0.0011867100000000, -0.0024109100000000, -0.0050234100000000 ] - [ 0.0004198500000000, 0.0011637500000000, -0.0003679700000000 ] - [ -0.0007454900000000, -0.0002281300000000, -0.0001826600000000 ] - [ -0.0005044500000000, -0.0000250700000000, -0.0001840600000000 ] - [ -0.0018986700000000, -0.0013195800000000, 0.0005736800000000 ] - [ -0.0005977800000000, 0.0003581400000000, 0.0000573200000000 ] - [ 0.0004222900000000, 0.0058209000000000, 0.0006453500000000 ] - [ 0.0006413400000000, -0.0034595100000000, -0.0002565100000000 ] - [ 0.0010945500000000, 0.0001018700000000, 0.0001957800000000 ] - [ 0.0045383600000000, -0.0010785600000000, 0.0016708900000000 ] - [ 0.0007928100000000, -0.0053803900000000, 0.0019629200000000 ] - [ 0.0035472900000000, 0.0069242400000000, 0.0019939600000000 ] - [ -0.0010988700000000, -0.0000020800000000, 0.0006577700000000 ] - [ -0.0003461500000000, 0.0000790400000000, 0.0002746600000000 ] - [ -0.0018983600000000, 0.0005860500000000, -0.0005490900000000 ] - [ -0.0028981900000000, -0.0007112800000000, -0.0004849700000000 ] - [ 0.0062242600000000, 0.0020061400000000, -0.0036790200000000 ] - [ 0.0009990100000000, 0.0000391000000000, -0.0004134700000000 ] - [ -0.0019620400000000, 0.0014664700000000, 0.0017188500000000 ] - [ -0.0002296200000000, -0.0007533400000000, 0.0005193800000000 ] - [ -0.0017024600000000, -0.0000806900000000, 0.0003015000000000 ] - [ -0.0007787600000000, 0.0000238400000000, 0.0000082500000000 ] - [ -0.0003343100000000, -0.0007127400000000, -0.0005768900000000 ] - [ -0.0026147800000000, 0.0013335100000000, -0.0046105600000000 ] - [ 0.0017084400000000, -0.0003077100000000, -0.0014649300000000 ] - [ 0.0006541300000000, -0.0000008200000000, -0.0005136500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001573900000000, 0.0003835900000000, -0.0002489500000000 ] - [ 0.0000026100000000, -0.0001583100000000, 0.0001012300000000 ] - [ -0.0008254400000000, -0.0017985900000000, -0.0009314700000000 ] - [ 0.0030095700000000, 0.0008371600000000, 0.0023208100000000 ] - [ 0.0001457700000000, 0.0009175100000000, 0.0004813100000000 ] - [ 0.0001408100000000, -0.0007736000000000, -0.0005112100000000 ] - [ 0.0006080700000000, 0.0002783700000000, -0.0001820200000000 ] - [ -0.0005059000000000, -0.0002890200000000, 0.0002642400000000 ] - [ -0.0010241000000000, -0.0012774300000000, 0.0036501000000000 ] - [ 0.0000150500000000, -0.0017754900000000, -0.0013499200000000 ] - [ 0.0003089100000000, 0.0002107200000000, -0.0001987400000000 ] - [ -0.0000527700000000, -0.0003703800000000, 0.0002011800000000 ] - [ 0.0001413500000000, -0.0004747200000000, 0.0003136400000000 ] - [ -0.0004798900000000, 0.0003446000000000, -0.0004361800000000 ] - [ 0.0002014400000000, 0.0013669700000000, 0.0012408900000000 ] - [ 0.0002304400000000, -0.0007008400000000, -0.0004008200000000 ] - [ 0.0003148400000000, -0.0000019500000000, 0.0003313600000000 ] - [ 0.0000900100000000, -0.0004604800000000, 0.0000501000000000 ] - [ 0.0013953800000000, 0.0053876000000000, 0.0012101200000000 ] - [ 0.0007325900000000, -0.0017394900000000, 0.0016515400000000 ] - [ 0.0001586100000000, -0.0005748700000000, 0.0007153700000000 ] - [ 0.0000421700000000, 0.0012486800000000, -0.0006443200000000 ] - [ -0.0003057800000000, 0.0003741300000000, 0.0006854000000000 ] - [ -0.0000879100000000, -0.0007691600000000, -0.0001374700000000 ] - [ -0.0003592800000000, -0.0015626100000000, 0.0006718400000000 ] - [ 0.0008267200000000, -0.0002755800000000, -0.0028743300000000 ] - [ 0.0002996800000000, 0.0005349100000000, 0.0002515900000000 ] - [ 0.0002784700000000, -0.0003198800000000, -0.0002268200000000 ] - [ 0.0002336200000000, 0.0002653100000000, 0.0003890000000000 ] - [ -0.0006868800000000, -0.0002575100000000, -0.0004733600000000 ] - [ 0.0013443600000000, -0.0008615000000000, 0.0002044200000000 ] - [ -0.0029476600000000, -0.0000676800000000, -0.0001237900000000 ] - [ 0.0000794800000000, 0.0012036500000000, -0.0018665300000000 ] - [ 0.0002732200000000, -0.0008429400000000, 0.0005936300000000 ] - [ -0.0009128700000000, 0.0030614100000000, -0.0003751400000000 ] - [ 0.0003755800000000, -0.0013495900000000, 0.0000815000000000 ] - [ -0.0000691500000000, -0.0014820800000000, 0.0009949600000000 ] - [ -0.0002260400000000, 0.0002164000000000, -0.0011796900000000 ] - [ 0.0004083100000000, 0.0013732700000000, -0.0000169000000000 ] - [ -0.0004158300000000, -0.0012564300000000, 0.0000418100000000 ] - [ -0.0005320200000000, 0.0050223800000000, -0.0000501400000000 ] - [ 0.0004753100000000, -0.0019678000000000, -0.0003290900000000 ] - [ 0.0004470300000000, -0.0009158300000000, -0.0005953600000000 ] - [ -0.0005994600000000, 0.0006584900000000, 0.0001198500000000 ] - [ 0.0002900400000000, 0.0007701200000000, -0.0002384400000000 ] - [ -0.0000276300000000, -0.0006371100000000, -0.0001969000000000 ] - [ -0.0011305600000000, -0.0007402700000000, -0.0014561400000000 ] - [ 0.0001681100000000, -0.0008531400000000, 0.0006473200000000 ] - [ 0.0015166600000000, -0.0003800600000000, 0.0028174900000000 ] - [ -0.0009660300000000, -0.0021656200000000, -0.0010806000000000 ] - [ 0.0004964500000000, 0.0004204800000000, -0.0001756600000000 ] - [ 0.0001232900000000, -0.0003227800000000, 0.0006082100000000 ] - [ 0.0001562800000000, 0.0005293000000000, -0.0002188200000000 ] - [ -0.0005409600000000, -0.0005321200000000, 0.0005834600000000 ] - [ 0.0001512200000000, -0.0005609400000000, -0.0000284600000000 ] - [ 0.0003793800000000, 0.0004941200000000, 0.0004274100000000 ] - [ -0.0000302100000000, 0.0001076200000000, -0.0000771000000000 ] - [ -0.0001028900000000, -0.0004940200000000, 0.0002298800000000 ] - [ -0.0002206400000000, -0.0001842200000000, -0.0001445700000000 ] - [ 0.0012113500000000, 0.0004463200000000, 0.0004558100000000 ] - [ -0.0000645100000000, 0.0010052400000000, 0.0008981500000000 ] - [ -0.0001804300000000, -0.0002464800000000, -0.0002405300000000 ] - [ 0.0024490000000000, -0.0011170300000000, -0.0016764300000000 ] - [ -0.0016991700000000, -0.0015477700000000, 0.0017489300000000 ] - [ -0.0002616400000000, -0.0016129300000000, 0.0002383200000000 ] - [ 0.0013509000000000, 0.0065380600000000, -0.0000479500000000 ] - [ 0.0007390800000000, 0.0002555700000000, 0.0001843500000000 ] - [ 0.0002826200000000, -0.0005305400000000, 0.0000493300000000 ] - [ -0.0008034500000000, -0.0002767300000000, 0.0001686100000000 ] - [ -0.0001524300000000, -0.0001602400000000, -0.0000263500000000 ] - [ 0.0001564700000000, 0.0008365700000000, -0.0000015800000000 ] - [ 0.0006474300000000, -0.0003212900000000, 0.0001484600000000 ] - [ 0.0002317500000000, 0.0004828000000000, 0.0000266500000000 ] - [ 0.0001143800000000, -0.0001131400000000, 0.0001279800000000 ] - [ -0.0020571600000000, -0.0010609800000000, 0.0002610500000000 ] - [ 0.0010163300000000, -0.0006742700000000, -0.0001217000000000 ] - [ -0.0000240700000000, 0.0006839700000000, 0.0002260700000000 ] - [ 0.0003236700000000, -0.0007363700000000, 0.0000265300000000 ] - [ 0.0000025500000000, -0.0001005800000000, 0.0001577500000000 ] - [ 0.0000615700000000, -0.0001804000000000, -0.0001792900000000 ] - [ -0.0047048900000000, -0.0282009800000000, -0.0041474700000000 ] - [ 0.0002322300000000, 0.0010296900000000, -0.0002149600000000 ] - [ -0.0000580500000000, -0.0003908400000000, -0.0000521200000000 ] - [ -0.0002879100000000, -0.0003845600000000, -0.0003584900000000 ] - [ -0.0002484200000000, 0.0008525900000000, 0.0003794200000000 ] - [ -0.0000035100000000, 0.0006612100000000, -0.0011867500000000 ] - [ 0.0006988100000000, -0.0009542200000000, -0.0004506600000000 ] - [ 0.0000367300000000, 0.0010943300000000, -0.0001333300000000 ] - [ -0.0001495100000000, -0.0001258300000000, -0.0002063900000000 ] - [ -0.0003645400000000, -0.0001268200000000, -0.0001608500000000 ] - [ 0.0002112600000000, -0.0002528800000000, -0.0002155000000000 ] - [ 0.0003019600000000, 0.0005956400000000, -0.0001799000000000 ] - [ -0.0003770400000000, 0.0003329200000000, -0.0001994800000000 ] - [ -0.0001700100000000, 0.0000735100000000, -0.0001935400000000 ] - [ -0.0000448500000000, -0.0015715700000000, -0.0002012300000000 ] - [ 0.0003193800000000, 0.0002034400000000, -0.0001913300000000 ] - [ 0.0000261000000000, -0.0010481200000000, -0.0001424800000000 ] - [ 0.0001292700000000, 0.0008948000000000, 0.0002433200000000 ] - [ 0.0011590500000000, 0.0011094800000000, 0.0002227100000000 ] - [ -0.0017284400000000, -0.0003168900000000, 0.0005244400000000 ] - [ 0.0001598200000000, -0.0008175300000000, 0.0001842400000000 ] - [ 0.0000330500000000, 0.0006275200000000, 0.0000960100000000 ] - [ 0.0039514100000000, -0.0021149000000000, 0.0058228600000000 ] - [ -0.0010143700000000, 0.0019098900000000, -0.0015542300000000 ] - [ -0.0003175600000000, -0.0006125900000000, -0.0004090400000000 ] - [ 0.0005160900000000, 0.0004216900000000, 0.0002838900000000 ] - [ -0.0001655000000000, -0.0014361400000000, -0.0006281500000000 ] - [ -0.0000539000000000, 0.0012252400000000, 0.0002021400000000 ] - [ -0.0042785300000000, 0.0059270900000000, 0.0005707600000000 ] - [ 0.0059476000000000, 0.0050355600000000, -0.0000283600000000 ] - [ -0.0000285300000000, 0.0026707500000000, -0.0009887900000000 ] - [ 0.0014275600000000, -0.0018363500000000, 0.0059392200000000 ] - [ 0.0043308700000000, 0.0085661300000000, -0.0018737800000000 ] - [ -0.0084325600000000, 0.0096342200000000, 0.0019892100000000 ] - [ -0.0002568000000000, -0.0007255100000000, -0.0000149100000000 ] - [ 0.0004554200000000, 0.0008293400000000, -0.0000301800000000 ] - [ -0.0014193400000000, 0.0005728500000000, -0.0002455600000000 ] - [ 0.0016983400000000, 0.0000391400000000, 0.0001097100000000 ] - [ -0.0017261900000000, -0.0021630800000000, -0.0098731600000000 ] - [ 0.0004144100000000, 0.0027725500000000, 0.0021971000000000 ] - [ -0.0025340600000000, -0.0012282900000000, 0.0018768700000000 ] - [ 0.0015377500000000, 0.0008801000000000, -0.0014694900000000 ] - [ -0.0001334200000000, -0.0008826700000000, 0.0006601500000000 ] - [ 0.0000358900000000, 0.0007088700000000, -0.0006655700000000 ] - [ 0.0007107300000000, 0.0024451400000000, 0.0012070700000000 ] - [ -0.0027479300000000, -0.0026669900000000, -0.0042006200000000 ] - [ 0.0009193200000000, -0.0034677600000000, 0.0003174900000000 ] - [ -0.0003196900000000, 0.0018283100000000, -0.0001451700000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000307500000000, -0.0001770700000000, 0.0001515900000000 ] - [ 0.0001249600000000, 0.0003632600000000, -0.0001986000000000 ] - [ 0.0006980900000000, 0.0015879400000000, 0.0008355600000000 ] - [ -0.0031671800000000, -0.0009863500000000, -0.0024284500000000 ] - [ -0.0000187400000000, -0.0011273700000000, -0.0005795800000000 ] - [ -0.0000144300000000, 0.0005647100000000, 0.0004143100000000 ] - [ -0.0007380800000000, -0.0000745800000000, 0.0000851100000000 ] - [ 0.0003755500000000, 0.0004941200000000, -0.0003614400000000 ] - [ 0.0007967300000000, 0.0014142200000000, -0.0036758100000000 ] - [ -0.0002467100000000, 0.0019444800000000, 0.0013334200000000 ] - [ -0.0000778500000000, -0.0003819300000000, 0.0001842500000000 ] - [ 0.0002806700000000, 0.0002031900000000, -0.0002160000000000 ] - [ -0.0003712800000000, 0.0003068500000000, -0.0003296500000000 ] - [ 0.0002504200000000, -0.0005097800000000, 0.0004191100000000 ] - [ 0.0000261200000000, -0.0011947000000000, -0.0012541200000000 ] - [ -0.0000006000000000, 0.0008677100000000, 0.0003863600000000 ] - [ 0.0000513600000000, -0.0004579000000000, 0.0000798100000000 ] - [ 0.0002752900000000, 0.0000014100000000, 0.0003605100000000 ] - [ -0.0019891600000000, -0.0052629700000000, -0.0009553100000000 ] - [ -0.0010929100000000, 0.0021958100000000, -0.0012356900000000 ] - [ 0.0002060100000000, 0.0010332700000000, -0.0003024300000000 ] - [ 0.0003172000000000, -0.0007889700000000, 0.0010643300000000 ] - [ -0.0000599900000000, -0.0008296400000000, -0.0002689200000000 ] - [ -0.0002777200000000, 0.0003102700000000, 0.0005502400000000 ] - [ -0.0001525100000000, 0.0013687200000000, -0.0006841200000000 ] - [ -0.0013437900000000, 0.0000956100000000, 0.0028487100000000 ] - [ 0.0002206400000000, -0.0003385200000000, -0.0002640600000000 ] - [ 0.0002379700000000, 0.0005158300000000, 0.0002162700000000 ] - [ -0.0007472500000000, -0.0000730700000000, -0.0004011900000000 ] - [ 0.0001777900000000, 0.0004494700000000, 0.0004633200000000 ] - [ -0.0017149400000000, 0.0012143200000000, -0.0000298000000000 ] - [ 0.0025701700000000, 0.0004264700000000, 0.0002984700000000 ] - [ 0.0004344700000000, -0.0014045900000000, 0.0018565600000000 ] - [ 0.0002425500000000, 0.0006466600000000, -0.0006025700000000 ] - [ 0.0008763800000000, -0.0028433300000000, 0.0003666100000000 ] - [ -0.0004077600000000, 0.0015673700000000, -0.0000902900000000 ] - [ 0.0000985600000000, 0.0017008900000000, -0.0010074000000000 ] - [ 0.0002708000000000, 0.0000114300000000, 0.0011681800000000 ] - [ -0.0004475900000000, -0.0015964900000000, 0.0000084200000000 ] - [ 0.0003815300000000, 0.0010369800000000, -0.0000503500000000 ] - [ 0.0008000000000000, -0.0050976200000000, -0.0003843100000000 ] - [ -0.0002045300000000, 0.0018983900000000, -0.0000985000000000 ] - [ -0.0007187500000000, 0.0009865200000000, 0.0001718800000000 ] - [ 0.0003274200000000, -0.0005825700000000, -0.0005455300000000 ] - [ -0.0000211700000000, -0.0007014000000000, -0.0001881900000000 ] - [ 0.0002994100000000, 0.0007057400000000, -0.0002317500000000 ] - [ 0.0008593100000000, 0.0006656700000000, 0.0010306300000000 ] - [ -0.0004353300000000, 0.0007846500000000, -0.0010701200000000 ] - [ -0.0019964900000000, 0.0002429500000000, -0.0023499400000000 ] - [ 0.0004606900000000, 0.0020963100000000, 0.0015315400000000 ] - [ 0.0000112500000000, -0.0003579700000000, 0.0006312700000000 ] - [ 0.0003854900000000, 0.0003976100000000, -0.0001562800000000 ] - [ -0.0006650700000000, -0.0004626000000000, 0.0006706200000000 ] - [ 0.0000328100000000, 0.0006000600000000, -0.0001316700000000 ] - [ 0.0003558500000000, 0.0004963900000000, 0.0004830300000000 ] - [ 0.0001277500000000, -0.0005604100000000, 0.0000273700000000 ] - [ -0.0001252200000000, -0.0005631200000000, 0.0003179900000000 ] - [ -0.0000555600000000, 0.0000377800000000, 0.0000132300000000 ] - [ 0.0003798000000000, 0.0006405500000000, 0.0003936500000000 ] - [ -0.0010527700000000, 0.0000092300000000, -0.0002088700000000 ] - [ -0.0000899300000000, -0.0005534500000000, -0.0006515300000000 ] - [ 0.0000254000000000, 0.0007026800000000, 0.0004872900000000 ] - [ -0.0023107700000000, 0.0006592700000000, 0.0019324200000000 ] - [ 0.0018492200000000, 0.0010857900000000, -0.0014980900000000 ] - [ -0.0006688200000000, 0.0019419400000000, -0.0000440000000000 ] - [ -0.0021660000000000, -0.0055848200000000, 0.0003136900000000 ] - [ 0.0001939600000000, -0.0005824800000000, 0.0000125700000000 ] - [ 0.0006478500000000, 0.0002061300000000, 0.0001477400000000 ] - [ -0.0001284900000000, -0.0000488100000000, 0.0000284400000000 ] - [ -0.0007814900000000, -0.0001632900000000, 0.0002236900000000 ] - [ 0.0007757300000000, -0.0005197400000000, 0.0001989800000000 ] - [ 0.0002862100000000, 0.0006425600000000, 0.0000489500000000 ] - [ 0.0001342400000000, -0.0001290300000000, 0.0001505700000000 ] - [ 0.0002508100000000, 0.0004694900000000, 0.0000484000000000 ] - [ 0.0016896200000000, 0.0007035800000000, -0.0000837000000000 ] - [ -0.0013839300000000, 0.0003193800000000, 0.0002991000000000 ] - [ 0.0003917100000000, -0.0010432000000000, -0.0000496900000000 ] - [ 0.0000461100000000, 0.0003818400000000, 0.0001514700000000 ] - [ 0.0000274800000000, -0.0001193700000000, -0.0001680900000000 ] - [ -0.0000325800000000, -0.0000346300000000, 0.0001690900000000 ] - [ 0.0054054200000000, 0.0275640900000000, 0.0038117200000000 ] - [ 0.0002934100000000, -0.0014245700000000, -0.0001819500000000 ] - [ -0.0002946300000000, -0.0004169500000000, -0.0003117000000000 ] - [ -0.0000640300000000, -0.0004239600000000, -0.0000048300000000 ] - [ -0.0001042100000000, -0.0000438800000000, -0.0007444000000000 ] - [ -0.0003485200000000, 0.0001461500000000, 0.0008189500000000 ] - [ -0.0003390300000000, 0.0017668300000000, 0.0000819200000000 ] - [ 0.0003148000000000, -0.0002853700000000, -0.0002297300000000 ] - [ -0.0003737800000000, -0.0002696700000000, -0.0001885900000000 ] - [ -0.0001598400000000, -0.0002706900000000, -0.0002352900000000 ] - [ 0.0003147400000000, 0.0006467000000000, -0.0001818500000000 ] - [ 0.0002238100000000, -0.0002024700000000, -0.0002166200000000 ] - [ -0.0001481100000000, 0.0000610000000000, -0.0001975900000000 ] - [ -0.0003540300000000, 0.0003192000000000, -0.0002022200000000 ] - [ 0.0003882300000000, 0.0007650400000000, -0.0001642500000000 ] - [ 0.0000325800000000, -0.0010123500000000, -0.0001711300000000 ] - [ 0.0001473000000000, 0.0011192400000000, 0.0003287200000000 ] - [ 0.0000470400000000, -0.0008331500000000, -0.0000568000000000 ] - [ -0.0013399300000000, -0.0010423800000000, -0.0000332300000000 ] - [ 0.0015483600000000, 0.0003794600000000, -0.0003348100000000 ] - [ 0.0000231000000000, 0.0007406600000000, 0.0000094100000000 ] - [ 0.0001474800000000, -0.0007037300000000, 0.0000956300000000 ] - [ -0.0042123200000000, 0.0022914200000000, -0.0059609700000000 ] - [ 0.0007477900000000, -0.0017399700000000, 0.0014134900000000 ] - [ 0.0005744800000000, 0.0004432400000000, 0.0002752200000000 ] - [ -0.0002584300000000, -0.0005975300000000, -0.0004196800000000 ] - [ -0.0000931200000000, 0.0012628500000000, 0.0004961900000000 ] - [ -0.0001992900000000, -0.0013935300000000, -0.0003336600000000 ] - [ 0.0041483300000000, -0.0060282000000000, -0.0003687900000000 ] - [ -0.0061132000000000, -0.0050632100000000, 0.0002230100000000 ] - [ 0.0002923300000000, -0.0025009900000000, 0.0008524000000000 ] - [ -0.0011571900000000, 0.0019671700000000, -0.0060626200000000 ] - [ -0.0046670700000000, -0.0087467900000000, 0.0018127700000000 ] - [ 0.0080743900000000, -0.0096735500000000, -0.0020269400000000 ] - [ 0.0005405300000000, 0.0008547000000000, -0.0000434400000000 ] - [ -0.0001705300000000, -0.0007029600000000, -0.0000287400000000 ] - [ 0.0011367700000000, -0.0004434000000000, 0.0001897000000000 ] - [ -0.0019779400000000, 0.0000871000000000, -0.0001669000000000 ] - [ 0.0016826200000000, 0.0023582400000000, 0.0097407200000000 ] - [ -0.0004662600000000, -0.0026161100000000, -0.0023591100000000 ] - [ 0.0025942500000000, 0.0010835600000000, -0.0020498700000000 ] - [ -0.0014795400000000, -0.0010402600000000, 0.0013000100000000 ] - [ 0.0000817000000000, 0.0007237300000000, -0.0008236900000000 ] - [ -0.0000888600000000, -0.0008669200000000, 0.0005014000000000 ] - [ -0.0006581200000000, -0.0022843700000000, -0.0013735900000000 ] - [ 0.0028037100000000, 0.0028178200000000, 0.0040322300000000 ] - [ -0.0006327800000000, 0.0033413400000000, -0.0003759500000000 ] - [ 0.0006023200000000, -0.0019563100000000, 0.0000867400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000751100000000, 0.0001371100000000, -0.0002563700000000 ] - [ 0.0000530400000000, 0.0001262100000000, -0.0001260000000000 ] - [ -0.0001123600000000, -0.0007431800000000, 0.0002467100000000 ] - [ -0.0011052300000000, 0.0019764600000000, 0.0026090200000000 ] - [ 0.0008460900000000, 0.0000468500000000, -0.0027398000000000 ] - [ 0.0002559500000000, -0.0004423100000000, -0.0006155700000000 ] - [ 0.0002170600000000, -0.0001907900000000, 0.0005299100000000 ] - [ -0.0000760500000000, 0.0000853400000000, 0.0001594400000000 ] - [ 0.0017249600000000, 0.0043210000000000, 0.0007396200000000 ] - [ -0.0000814100000000, -0.0005063900000000, 0.0003479100000000 ] - [ 0.0002940900000000, -0.0002027100000000, -0.0002725200000000 ] - [ 0.0001259300000000, 0.0000304700000000, -0.0000966000000000 ] - [ -0.0002181700000000, -0.0000443000000000, -0.0000013700000000 ] - [ -0.0002644300000000, -0.0001541300000000, 0.0000811300000000 ] - [ -0.0007306300000000, 0.0004684900000000, -0.0021125100000000 ] - [ 0.0002582300000000, -0.0001623700000000, -0.0003429400000000 ] - [ 0.0000703400000000, -0.0002856600000000, -0.0000170100000000 ] - [ 0.0001390500000000, -0.0002470300000000, 0.0001290700000000 ] - [ 0.0008213400000000, 0.0001055800000000, 0.0047063200000000 ] - [ 0.0001006700000000, 0.0006073600000000, 0.0005928100000000 ] - [ 0.0003695400000000, 0.0004566900000000, -0.0002877500000000 ] - [ 0.0012802700000000, 0.0002015700000000, -0.0024581100000000 ] - [ -0.0001193900000000, 0.0000454000000000, 0.0006100000000000 ] - [ -0.0002334100000000, -0.0002564800000000, 0.0003398200000000 ] - [ 0.0000136200000000, 0.0008533100000000, 0.0001198900000000 ] - [ 0.0015507100000000, -0.0036781300000000, 0.0003849800000000 ] - [ 0.0004024300000000, 0.0001366300000000, -0.0002866400000000 ] - [ 0.0002657000000000, 0.0000457300000000, -0.0000611900000000 ] - [ -0.0005075300000000, 0.0002002800000000, 0.0000689400000000 ] - [ -0.0003572100000000, 0.0000824300000000, 0.0000333500000000 ] - [ -0.0006775300000000, 0.0005715200000000, 0.0006577800000000 ] - [ -0.0005800500000000, 0.0000169300000000, 0.0006327100000000 ] - [ -0.0004228300000000, -0.0007063300000000, -0.0023765300000000 ] - [ 0.0003833000000000, 0.0000967500000000, -0.0002945100000000 ] - [ -0.0008861900000000, 0.0002830600000000, -0.0004892800000000 ] - [ -0.0000380600000000, 0.0001939600000000, -0.0000482700000000 ] - [ -0.0000089500000000, 0.0010934400000000, -0.0004602600000000 ] - [ -0.0003394800000000, -0.0019534400000000, -0.0001927100000000 ] - [ 0.0011868500000000, -0.0002995700000000, -0.0004039600000000 ] - [ -0.0000233900000000, -0.0001447300000000, 0.0000033800000000 ] - [ 0.0009362800000000, 0.0009731600000000, 0.0028008800000000 ] - [ 0.0000393000000000, 0.0001721600000000, -0.0002278900000000 ] - [ 0.0000645500000000, -0.0002479800000000, -0.0003327100000000 ] - [ 0.0000613700000000, 0.0005126700000000, -0.0002830200000000 ] - [ 0.0001359500000000, -0.0000190900000000, -0.0002228400000000 ] - [ 0.0001155100000000, 0.0000341600000000, -0.0002028300000000 ] - [ -0.0006625200000000, -0.0010258700000000, -0.0005167900000000 ] - [ -0.0002104400000000, 0.0005828200000000, -0.0003723800000000 ] - [ -0.0018131900000000, 0.0023246500000000, 0.0026545100000000 ] - [ -0.0004986600000000, -0.0000168200000000, 0.0006731900000000 ] - [ 0.0002568400000000, 0.0000517900000000, -0.0006970600000000 ] - [ 0.0001897800000000, 0.0002018900000000, -0.0000313300000000 ] - [ -0.0001396300000000, -0.0000875900000000, 0.0005626400000000 ] - [ -0.0002490100000000, -0.0000189900000000, 0.0003581400000000 ] - [ 0.0001663200000000, -0.0002407600000000, -0.0000180600000000 ] - [ -0.0001424300000000, -0.0000455500000000, -0.0003769800000000 ] - [ 0.0000894700000000, -0.0001964100000000, -0.0002564300000000 ] - [ -0.0000291900000000, -0.0002159900000000, 0.0000172600000000 ] - [ -0.0000770500000000, 0.0002205100000000, 0.0003768800000000 ] - [ -0.0005672300000000, 0.0005291200000000, 0.0004125600000000 ] - [ -0.0011696400000000, 0.0005433700000000, -0.0017679700000000 ] - [ -0.0003429000000000, -0.0000349300000000, -0.0002454300000000 ] - [ 0.0010842700000000, -0.0016234000000000, 0.0010192800000000 ] - [ 0.0000841400000000, -0.0000094300000000, 0.0006796700000000 ] - [ -0.0002104400000000, 0.0006046300000000, 0.0012631300000000 ] - [ -0.0006827100000000, 0.0011400100000000, 0.0026401500000000 ] - [ 0.0002151200000000, -0.0002360000000000, -0.0004081400000000 ] - [ 0.0003212600000000, -0.0001705400000000, -0.0000455800000000 ] - [ -0.0004989900000000, -0.0001842200000000, 0.0002336700000000 ] - [ -0.0005669200000000, -0.0001107200000000, 0.0002819000000000 ] - [ 0.0003424000000000, 0.0001333700000000, -0.0007788500000000 ] - [ 0.0006211700000000, 0.0001552600000000, -0.0001066800000000 ] - [ 0.0000892600000000, 0.0001721500000000, -0.0001248600000000 ] - [ 0.0001738300000000, 0.0001910600000000, 0.0000024100000000 ] - [ -0.0002034500000000, -0.0001304200000000, 0.0009607700000000 ] - [ -0.0000815300000000, 0.0001448700000000, 0.0009845100000000 ] - [ 0.0003713900000000, -0.0004093200000000, -0.0014857700000000 ] - [ 0.0001713400000000, -0.0002142900000000, -0.0001510400000000 ] - [ -0.0000080700000000, -0.0000696900000000, -0.0000242600000000 ] - [ 0.0000349100000000, -0.0001128500000000, -0.0000161100000000 ] - [ -0.0045057800000000, -0.0041378200000000, -0.0191423000000000 ] - [ 0.0001964400000000, -0.0002150000000000, -0.0004443000000000 ] - [ -0.0001000000000000, -0.0003248400000000, -0.0001373500000000 ] - [ -0.0000905600000000, -0.0004947400000000, -0.0001176000000000 ] - [ -0.0003245900000000, 0.0008212700000000, 0.0001610100000000 ] - [ -0.0004278400000000, -0.0005553300000000, 0.0007332100000000 ] - [ -0.0016099900000000, 0.0001991100000000, -0.0000047100000000 ] - [ -0.0000029300000000, 0.0003842900000000, -0.0002570400000000 ] - [ -0.0003759900000000, -0.0001610500000000, 0.0002656700000000 ] - [ -0.0003778800000000, -0.0002049700000000, 0.0002686700000000 ] - [ 0.0003006200000000, 0.0002125000000000, -0.0003689800000000 ] - [ 0.0002896000000000, 0.0001769600000000, -0.0002452100000000 ] - [ -0.0001877600000000, 0.0001969900000000, -0.0000308000000000 ] - [ -0.0001792700000000, 0.0001917900000000, -0.0000112400000000 ] - [ 0.0016271700000000, -0.0004566500000000, -0.0001463200000000 ] - [ 0.0002925500000000, -0.0004218200000000, -0.0002097900000000 ] - [ 0.0001444000000000, 0.0004247400000000, 0.0026891200000000 ] - [ 0.0002454700000000, 0.0000378800000000, 0.0006681000000000 ] - [ -0.0000897400000000, 0.0000127200000000, -0.0002101500000000 ] - [ 0.0002126600000000, -0.0001824000000000, -0.0009416400000000 ] - [ 0.0001684200000000, 0.0000707700000000, 0.0010131700000000 ] - [ -0.0000024300000000, 0.0000815300000000, 0.0003742400000000 ] - [ 0.0038432400000000, 0.0034566100000000, 0.0028637100000000 ] - [ -0.0003592800000000, -0.0005404800000000, -0.0000306100000000 ] - [ 0.0002841200000000, -0.0000778600000000, 0.0000728900000000 ] - [ 0.0001985300000000, -0.0000667400000000, -0.0000502200000000 ] - [ -0.0010124600000000, -0.0008861400000000, -0.0000320100000000 ] - [ -0.0002329100000000, 0.0001183700000000, -0.0002027900000000 ] - [ 0.0000335100000000, -0.0012606700000000, -0.0044273800000000 ] - [ 0.0001549000000000, -0.0002797600000000, -0.0014743400000000 ] - [ -0.0001189600000000, -0.0009131900000000, 0.0002869200000000 ] - [ -0.0020348900000000, 0.0071267100000000, 0.0071586200000000 ] - [ -0.0014744800000000, -0.0009173300000000, -0.0066612600000000 ] - [ -0.0014857600000000, 0.0012778300000000, -0.0060281800000000 ] - [ 0.0003908900000000, 0.0000636300000000, 0.0006899800000000 ] - [ 0.0002874700000000, 0.0000131300000000, 0.0002086600000000 ] - [ 0.0003351700000000, 0.0002387400000000, -0.0006148100000000 ] - [ 0.0003217100000000, 0.0000179200000000, -0.0005427100000000 ] - [ 0.0028976200000000, -0.0090848000000000, 0.0093424500000000 ] - [ 0.0001796400000000, 0.0013688700000000, -0.0000491800000000 ] - [ -0.0012706600000000, 0.0011283700000000, 0.0006311700000000 ] - [ -0.0000567900000000, -0.0005814500000000, -0.0000569400000000 ] - [ -0.0001117300000000, -0.0000380500000000, 0.0000071300000000 ] - [ 0.0000169900000000, -0.0001354200000000, -0.0000656200000000 ] - [ 0.0002578500000000, 0.0008641400000000, 0.0000756900000000 ] - [ 0.0029793000000000, -0.0017330300000000, 0.0014397200000000 ] - [ -0.0002067900000000, -0.0002280900000000, 0.0062269200000000 ] - [ -0.0000812400000000, -0.0000190200000000, 0.0010449700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000550500000000, 0.0000648300000000, 0.0001595600000000 ] - [ 0.0000773300000000, 0.0000767700000000, 0.0000282300000000 ] - [ -0.0000187100000000, 0.0005358200000000, -0.0003463400000000 ] - [ 0.0009533900000000, -0.0021641400000000, -0.0027358900000000 ] - [ -0.0007178100000000, -0.0002486400000000, 0.0026427100000000 ] - [ -0.0001252700000000, 0.0002377100000000, 0.0005170100000000 ] - [ -0.0003460000000000, 0.0003935100000000, -0.0006288100000000 ] - [ -0.0000518600000000, 0.0001178900000000, -0.0002590500000000 ] - [ -0.0019462900000000, -0.0041527400000000, -0.0007202000000000 ] - [ -0.0001452500000000, 0.0006700200000000, -0.0003585500000000 ] - [ -0.0000704500000000, 0.0000412500000000, 0.0002559000000000 ] - [ 0.0000980300000000, -0.0001934300000000, 0.0000798900000000 ] - [ -0.0000053600000000, -0.0001167400000000, -0.0000154300000000 ] - [ 0.0000425500000000, -0.0000079300000000, -0.0000964100000000 ] - [ 0.0009727300000000, -0.0003141600000000, 0.0021046800000000 ] - [ -0.0000329600000000, 0.0003258400000000, 0.0003262400000000 ] - [ 0.0003002400000000, -0.0001696000000000, 0.0004257200000000 ] - [ 0.0002215300000000, -0.0002121000000000, 0.0002887800000000 ] - [ -0.0012222800000000, 0.0002916900000000, -0.0043000500000000 ] - [ -0.0004666100000000, -0.0001425500000000, -0.0001816200000000 ] - [ -0.0000057900000000, 0.0000022600000000, 0.0007027700000000 ] - [ -0.0009202700000000, 0.0002564200000000, 0.0028749000000000 ] - [ -0.0002408300000000, -0.0005065100000000, -0.0001950800000000 ] - [ -0.0001296400000000, -0.0002006800000000, 0.0000775600000000 ] - [ -0.0005207600000000, -0.0010410300000000, -0.0001299600000000 ] - [ -0.0020493200000000, 0.0034677900000000, -0.0003766700000000 ] - [ 0.0001095700000000, 0.0000555400000000, 0.0002757600000000 ] - [ 0.0002468800000000, 0.0001464600000000, 0.0000489300000000 ] - [ 0.0000056200000000, -0.0000088100000000, -0.0000754400000000 ] - [ -0.0001462200000000, 0.0001075100000000, -0.0000436300000000 ] - [ 0.0003182300000000, -0.0002182100000000, -0.0004821500000000 ] - [ 0.0002347100000000, 0.0003312700000000, -0.0004517900000000 ] - [ 0.0009517500000000, 0.0005265600000000, 0.0023764200000000 ] - [ 0.0001305100000000, -0.0002904200000000, 0.0002827500000000 ] - [ 0.0008562000000000, -0.0000586100000000, 0.0004733900000000 ] - [ 0.0000051000000000, 0.0000266900000000, 0.0000376300000000 ] - [ 0.0000394300000000, -0.0008707700000000, 0.0004542000000000 ] - [ 0.0003680900000000, 0.0021646400000000, 0.0001866000000000 ] - [ -0.0012304000000000, 0.0000795300000000, 0.0003940400000000 ] - [ -0.0000120000000000, -0.0000768700000000, -0.0000121000000000 ] - [ -0.0005808200000000, -0.0009936300000000, -0.0027578100000000 ] - [ 0.0002295100000000, -0.0002414100000000, -0.0001949700000000 ] - [ -0.0003378300000000, 0.0003227900000000, -0.0000956100000000 ] - [ -0.0003327300000000, -0.0004438300000000, -0.0001442800000000 ] - [ 0.0001287700000000, 0.0000851200000000, -0.0001971500000000 ] - [ 0.0001581100000000, 0.0000384200000000, -0.0002248200000000 ] - [ 0.0003885800000000, 0.0009560600000000, 0.0000811800000000 ] - [ -0.0000590900000000, -0.0006538300000000, -0.0000586400000000 ] - [ 0.0013142800000000, -0.0024121200000000, -0.0021594200000000 ] - [ -0.0000093000000000, -0.0000361100000000, -0.0002054000000000 ] - [ 0.0002476800000000, 0.0000269500000000, 0.0011441600000000 ] - [ 0.0003192500000000, -0.0001230100000000, 0.0004804800000000 ] - [ -0.0003709800000000, 0.0001440800000000, -0.0000982900000000 ] - [ -0.0002625500000000, 0.0000797400000000, 0.0001035800000000 ] - [ 0.0003410300000000, 0.0001663200000000, 0.0004671900000000 ] - [ 0.0006549400000000, -0.0000366400000000, 0.0008243400000000 ] - [ -0.0002397700000000, -0.0002632700000000, 0.0005117100000000 ] - [ -0.0001300300000000, -0.0002432000000000, 0.0002363300000000 ] - [ 0.0002336900000000, 0.0002305800000000, -0.0001453300000000 ] - [ 0.0007219900000000, -0.0000785500000000, -0.0001819200000000 ] - [ 0.0010084200000000, -0.0000813200000000, 0.0020252300000000 ] - [ 0.0001822400000000, 0.0004937200000000, 0.0005021400000000 ] - [ -0.0009259800000000, 0.0011718800000000, -0.0007877700000000 ] - [ 0.0000812800000000, -0.0004413400000000, -0.0004515800000000 ] - [ -0.0007294200000000, -0.0002921200000000, -0.0010622500000000 ] - [ -0.0002744800000000, -0.0008525200000000, -0.0024423500000000 ] - [ 0.0007087200000000, -0.0000881600000000, 0.0006056100000000 ] - [ 0.0006073300000000, -0.0001521200000000, 0.0002434800000000 ] - [ -0.0004493800000000, -0.0001260800000000, -0.0000332000000000 ] - [ -0.0003820700000000, -0.0002006700000000, -0.0000815800000000 ] - [ 0.0005897200000000, 0.0001917800000000, 0.0009783300000000 ] - [ 0.0003077600000000, 0.0001645400000000, 0.0003041800000000 ] - [ 0.0002867800000000, 0.0001892500000000, 0.0002991600000000 ] - [ 0.0001970000000000, 0.0001704200000000, 0.0001716100000000 ] - [ -0.0001544100000000, -0.0002131000000000, -0.0007770000000000 ] - [ -0.0002737000000000, -0.0004874600000000, -0.0008006100000000 ] - [ -0.0000024300000000, 0.0000566000000000, 0.0016692900000000 ] - [ 0.0002012200000000, -0.0001447100000000, 0.0003262700000000 ] - [ 0.0000344400000000, -0.0001457200000000, 0.0000156700000000 ] - [ -0.0000017000000000, -0.0001092900000000, 0.0000089300000000 ] - [ 0.0049719600000000, 0.0038189200000000, 0.0181229100000000 ] - [ 0.0003284600000000, -0.0001812300000000, 0.0000486200000000 ] - [ -0.0002519900000000, -0.0004825500000000, -0.0002249600000000 ] - [ -0.0002611900000000, -0.0003114100000000, -0.0002435900000000 ] - [ -0.0000270900000000, -0.0000168000000000, -0.0005222500000000 ] - [ 0.0000777600000000, 0.0013727400000000, -0.0010987500000000 ] - [ 0.0019553100000000, 0.0006083000000000, -0.0003642500000000 ] - [ 0.0003559900000000, 0.0004257700000000, -0.0001069000000000 ] - [ -0.0001488600000000, -0.0002374000000000, -0.0006622500000000 ] - [ -0.0001452000000000, -0.0001881900000000, -0.0006631400000000 ] - [ 0.0002242700000000, 0.0001812400000000, -0.0000260800000000 ] - [ 0.0002336400000000, 0.0002173000000000, -0.0001484600000000 ] - [ -0.0003352800000000, 0.0001963700000000, -0.0003660900000000 ] - [ -0.0003437300000000, 0.0002034400000000, -0.0003853400000000 ] - [ -0.0012708100000000, -0.0003534900000000, -0.0002234900000000 ] - [ 0.0000588000000000, -0.0003866300000000, -0.0001530000000000 ] - [ 0.0000418900000000, -0.0003669600000000, -0.0025047600000000 ] - [ -0.0000702600000000, 0.0000231000000000, -0.0004780900000000 ] - [ -0.0000841600000000, 0.0000483700000000, 0.0004075800000000 ] - [ -0.0003858200000000, 0.0002440600000000, 0.0011348800000000 ] - [ -0.0000006800000000, -0.0001307600000000, -0.0008225500000000 ] - [ 0.0001748800000000, -0.0001385700000000, -0.0001808500000000 ] - [ -0.0041492900000000, -0.0033231500000000, -0.0029846000000000 ] - [ 0.0000903900000000, 0.0007161000000000, -0.0001067500000000 ] - [ -0.0000164300000000, -0.0000971200000000, -0.0002173100000000 ] - [ 0.0000691500000000, -0.0001104900000000, -0.0000986200000000 ] - [ 0.0007469800000000, 0.0007155100000000, -0.0001118500000000 ] - [ -0.0000359800000000, -0.0002962100000000, 0.0000561200000000 ] - [ -0.0002259800000000, 0.0012199100000000, 0.0046222600000000 ] - [ -0.0003510100000000, 0.0001970900000000, 0.0016708100000000 ] - [ 0.0003877000000000, 0.0010848100000000, -0.0004346500000000 ] - [ 0.0023052000000000, -0.0068998700000000, -0.0072407400000000 ] - [ 0.0011972000000000, 0.0008099000000000, 0.0065755700000000 ] - [ 0.0012328600000000, -0.0014312900000000, 0.0059419800000000 ] - [ -0.0001047700000000, 0.0000647500000000, -0.0007483700000000 ] - [ -0.0000031300000000, 0.0001147000000000, -0.0002659700000000 ] - [ -0.0006197900000000, -0.0001105500000000, 0.0005590700000000 ] - [ -0.0006129600000000, 0.0001105400000000, 0.0004869500000000 ] - [ -0.0029090500000000, 0.0091528500000000, -0.0094367100000000 ] - [ -0.0002319400000000, -0.0012073500000000, -0.0001239600000000 ] - [ 0.0013275100000000, -0.0012898800000000, -0.0007896800000000 ] - [ 0.0001075200000000, 0.0004266000000000, -0.0001032900000000 ] - [ 0.0000568400000000, -0.0001168400000000, -0.0001752200000000 ] - [ -0.0000692300000000, -0.0000222800000000, -0.0000999000000000 ] - [ -0.0002033000000000, -0.0007085100000000, -0.0002348200000000 ] - [ -0.0029460200000000, 0.0019080900000000, -0.0015754800000000 ] - [ 0.0004855000000000, 0.0001015800000000, -0.0063060600000000 ] - [ 0.0003651600000000, -0.0001085800000000, -0.0011014000000000 ]- atom: 83 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007533000000000, 0.0002045900000000, -0.0002351900000000 ] - [ 0.0012267000000000, -0.0005659800000000, -0.0014460500000000 ] - [ -0.0011103900000000, 0.0001305900000000, -0.0015111700000000 ] - [ -0.0002291400000000, -0.0004417500000000, -0.0004936300000000 ] - [ -0.0006001100000000, -0.0002050300000000, 0.0002866200000000 ] - [ -0.0004583300000000, 0.0000672100000000, 0.0002734700000000 ] - [ -0.0006500100000000, -0.0000067600000000, 0.0020050700000000 ] - [ 0.0000208700000000, -0.0001640700000000, 0.0003935900000000 ] - [ -0.0006772900000000, -0.0000633100000000, -0.0004155100000000 ] - [ -0.0003154300000000, 0.0001712500000000, -0.0000683500000000 ] - [ 0.0013122800000000, 0.0015395500000000, -0.0006451500000000 ] - [ 0.0000855500000000, -0.0011344800000000, -0.0000852400000000 ] - [ 0.0005053300000000, -0.0001727400000000, 0.0003574100000000 ] - [ 0.0000862700000000, 0.0000162200000000, 0.0000815800000000 ] - [ -0.0003045400000000, -0.0002097200000000, 0.0002347500000000 ] - [ -0.0017072200000000, 0.0012792700000000, 0.0008215800000000 ] - [ 0.0008587100000000, 0.0005665700000000, -0.0017858100000000 ] - [ 0.0005180500000000, -0.0004069400000000, -0.0000828300000000 ] - [ -0.0013073200000000, -0.0001762300000000, -0.0011496800000000 ] - [ -0.0005131600000000, 0.0005891200000000, -0.0002283100000000 ] - [ -0.0004470200000000, 0.0003489300000000, 0.0007707100000000 ] - [ -0.0001227300000000, 0.0001119100000000, 0.0004615900000000 ] - [ 0.0000517400000000, 0.0001746700000000, 0.0007262200000000 ] - [ -0.0001938700000000, -0.0006713200000000, 0.0020779100000000 ] - [ -0.0006949100000000, -0.0000953700000000, -0.0002596600000000 ] - [ -0.0003958200000000, -0.0001016100000000, -0.0000812500000000 ] - [ 0.0009059500000000, 0.0014643500000000, -0.0000084100000000 ] - [ 0.0010843900000000, -0.0029123000000000, -0.0011416100000000 ] - [ 0.0001349900000000, -0.0000785400000000, -0.0000238700000000 ] - [ -0.0001029100000000, 0.0001114400000000, 0.0000784500000000 ] - [ -0.0011491100000000, 0.0001001500000000, 0.0005101300000000 ] - [ -0.0005373300000000, 0.0002654300000000, 0.0002316300000000 ] - [ -0.0011337000000000, -0.0012879800000000, 0.0009609100000000 ] - [ -0.0002400500000000, 0.0003581300000000, 0.0000385800000000 ] - [ -0.0001731500000000, -0.0019517700000000, -0.0001082500000000 ] - [ -0.0007591900000000, 0.0017369900000000, -0.0004813400000000 ] - [ -0.0005027800000000, -0.0001613800000000, 0.0000185700000000 ] - [ -0.0002301200000000, 0.0000696800000000, 0.0000303700000000 ] - [ -0.0006964000000000, 0.0012200200000000, 0.0006107400000000 ] - [ -0.0008754200000000, -0.0014099600000000, 0.0001879500000000 ] - [ -0.0002219600000000, 0.0000541600000000, -0.0001860900000000 ] - [ -0.0002818100000000, 0.0002057900000000, -0.0000979700000000 ] - [ -0.0021254000000000, -0.0004344600000000, 0.0006113300000000 ] - [ -0.0003769500000000, 0.0004546700000000, -0.0001196700000000 ] - [ 0.0007234600000000, 0.0003479800000000, -0.0004404800000000 ] - [ 0.0007289100000000, 0.0002175300000000, -0.0003672700000000 ] - [ -0.0047648300000000, -0.0008424600000000, -0.0020356000000000 ] - [ -0.0000209800000000, 0.0004533200000000, -0.0002337000000000 ] - [ -0.0008906200000000, -0.0000008400000000, 0.0005662800000000 ] - [ -0.0005770300000000, 0.0000115500000000, 0.0004083600000000 ] - [ -0.0015110500000000, 0.0005561300000000, -0.0007004900000000 ] - [ -0.0003049900000000, -0.0000066600000000, -0.0000881600000000 ] - [ 0.0000936300000000, 0.0000884500000000, 0.0000250500000000 ] - [ 0.0007538500000000, 0.0002285400000000, -0.0010050400000000 ] - [ 0.0049873100000000, -0.0015577000000000, -0.0005554600000000 ] - [ 0.0007340000000000, -0.0001925500000000, 0.0005249300000000 ] - [ 0.0004619300000000, -0.0003700600000000, 0.0005109700000000 ] - [ 0.0010810300000000, 0.0000555300000000, 0.0014734700000000 ] - [ 0.0025822500000000, -0.0001701400000000, -0.0015465400000000 ] - [ 0.0006128600000000, -0.0000321800000000, -0.0002438000000000 ] - [ -0.0008316600000000, 0.0001576100000000, -0.0004614800000000 ] - [ -0.0006502600000000, 0.0001037600000000, -0.0002217600000000 ] - [ -0.0011335400000000, -0.0002882000000000, 0.0009348400000000 ] - [ -0.0004161500000000, -0.0004170200000000, 0.0004833400000000 ] - [ -0.0018321800000000, 0.0000466600000000, 0.0001344700000000 ] - [ -0.0010688700000000, 0.0001595800000000, 0.0001447100000000 ] - [ -0.0006926600000000, 0.0007720000000000, -0.0006944400000000 ] - [ -0.0007754800000000, -0.0007637400000000, -0.0005898700000000 ] - [ 0.0018541500000000, -0.0005295400000000, 0.0000727500000000 ] - [ 0.0001610300000000, -0.0001717300000000, 0.0000602700000000 ] - [ 0.0003440000000000, -0.0007620400000000, 0.0005794600000000 ] - [ -0.0002397200000000, 0.0015345500000000, 0.0007105100000000 ] - [ 0.0039093400000000, -0.0001970400000000, 0.0002340900000000 ] - [ 0.0027292500000000, 0.0009467700000000, 0.0000029700000000 ] - [ -0.0000720200000000, -0.0005111800000000, -0.0008507000000000 ] - [ 0.0001322700000000, -0.0000774100000000, -0.0000366000000000 ] - [ -0.0011489000000000, 0.0000212000000000, 0.0001867900000000 ] - [ -0.0011885000000000, 0.0000262000000000, 0.0001920500000000 ] - [ 0.0010526600000000, -0.0005987000000000, -0.0001216200000000 ] - [ 0.0002869200000000, -0.0001255100000000, -0.0000375900000000 ] - [ 0.0006431200000000, -0.0000792300000000, -0.0001233500000000 ] - [ 0.0006813400000000, -0.0003104500000000, -0.0001119300000000 ] - [ -0.0206624700000000, 0.0101646500000000, -0.0012521000000000 ] - [ -0.0006964900000000, -0.0004849900000000, -0.0001709500000000 ] - [ 0.0009703000000000, 0.0004879000000000, -0.0001720300000000 ] - [ 0.0002513400000000, 0.0003585500000000, -0.0001666500000000 ] - [ 0.0000416700000000, 0.0005939300000000, -0.0000803100000000 ] - [ 0.0001340500000000, 0.0002270000000000, -0.0001625300000000 ] - [ 0.0015616900000000, 0.0000167200000000, -0.0016523300000000 ] - [ -0.0002573300000000, -0.0003417000000000, -0.0003158700000000 ] - [ -0.0003186300000000, 0.0000241400000000, -0.0004530400000000 ] - [ -0.0002953300000000, 0.0002701100000000, -0.0003482000000000 ] - [ 0.0017770500000000, 0.0007144200000000, 0.0015728500000000 ] - [ -0.0002336200000000, 0.0000585700000000, -0.0000202100000000 ] - [ 0.0003443900000000, -0.0005202900000000, -0.0002039700000000 ] - [ 0.0003437100000000, -0.0002756100000000, -0.0002654100000000 ] - [ 0.0021170000000000, -0.0008062500000000, 0.0011736500000000 ] - [ 0.0017310200000000, 0.0001708700000000, 0.0005720700000000 ] - [ -0.0027356100000000, 0.0010678200000000, 0.0041813200000000 ] - [ -0.0008518900000000, 0.0000661800000000, 0.0005323400000000 ] - [ -0.0011227000000000, 0.0009785000000000, -0.0009050700000000 ] - [ -0.0020000100000000, -0.0046930400000000, -0.0033538700000000 ] - [ 0.0033809000000000, 0.0047870700000000, 0.0013200900000000 ] - [ 0.0007212300000000, -0.0011245700000000, 0.0001113400000000 ] - [ -0.0015699000000000, 0.0001778700000000, 0.0013364300000000 ] - [ -0.0003586800000000, -0.0000894800000000, 0.0001357300000000 ] - [ -0.0003258200000000, -0.0017048300000000, -0.0007406700000000 ] - [ 0.0038693700000000, 0.0042425800000000, -0.0029811700000000 ] - [ 0.0018170500000000, 0.0001387700000000, -0.0008494900000000 ] - [ 0.0006708200000000, -0.0000114300000000, -0.0003408100000000 ] - [ 0.0011485200000000, 0.0001470400000000, -0.0004076600000000 ] - [ 0.0005417500000000, 0.0000687900000000, -0.0002074700000000 ] - [ 0.0015313400000000, 0.0000564800000000, 0.0019183500000000 ] - [ 0.0001640000000000, -0.0002130700000000, 0.0005301000000000 ] - [ -0.0031681100000000, -0.0060822000000000, 0.0045638800000000 ] - [ -0.0014251300000000, 0.0034845500000000, 0.0032066900000000 ] - [ -0.0011116500000000, 0.0002694900000000, -0.0031485900000000 ] - [ -0.0004417500000000, -0.0001403600000000, -0.0006898100000000 ] - [ 0.0016414900000000, 0.0003654300000000, -0.0000732700000000 ] - [ 0.0009288700000000, -0.0000812000000000, -0.0002599200000000 ] - [ 0.0068539400000000, -0.0017977500000000, -0.0030037600000000 ] - [ 0.0008673300000000, 0.0007901800000000, -0.0004046700000000 ] - [ -0.0010597600000000, -0.0003352700000000, 0.0000181600000000 ] - [ -0.0031379100000000, 0.0002274800000000, 0.0006325300000000 ] - [ 0.0095612300000000, -0.0087293700000000, 0.0053153100000000 ] - [ -0.0002846400000000, 0.0013986000000000, -0.0000271700000000 ] - [ 0.0018378600000000, 0.0008941000000000, -0.0011297400000000 ] - [ 0.0024051000000000, -0.0011283600000000, -0.0012276500000000 ]- atom: 83 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006266900000000, 0.0000025300000000, 0.0001311800000000 ] - [ -0.0011032300000000, 0.0007677200000000, 0.0013450200000000 ] - [ 0.0009854100000000, -0.0003279100000000, 0.0014056800000000 ] - [ 0.0000991300000000, 0.0002361800000000, 0.0003923800000000 ] - [ 0.0007277400000000, -0.0000016200000000, -0.0003845100000000 ] - [ 0.0005874400000000, -0.0002733800000000, -0.0003736500000000 ] - [ 0.0005187900000000, 0.0002084800000000, -0.0021165600000000 ] - [ -0.0001518100000000, 0.0003710800000000, -0.0004939300000000 ] - [ 0.0004457500000000, 0.0002318300000000, 0.0004009200000000 ] - [ 0.0000844900000000, -0.0000027000000000, 0.0000549800000000 ] - [ -0.0012995200000000, -0.0015677200000000, 0.0006263900000000 ] - [ 0.0001426400000000, 0.0009646900000000, 0.0000721800000000 ] - [ -0.0007425000000000, 0.0000029200000000, -0.0003730700000000 ] - [ -0.0003189000000000, -0.0001830400000000, -0.0000964900000000 ] - [ 0.0005375800000000, 0.0003764400000000, -0.0002481200000000 ] - [ 0.0019399000000000, -0.0011005000000000, -0.0008293800000000 ] - [ -0.0004924800000000, -0.0010209100000000, 0.0022003400000000 ] - [ -0.0001465300000000, -0.0000454600000000, 0.0004905400000000 ] - [ 0.0009272000000000, 0.0006249500000000, 0.0015470500000000 ] - [ 0.0001425000000000, -0.0001350800000000, 0.0006372500000000 ] - [ 0.0008228100000000, 0.0001070200000000, -0.0003675600000000 ] - [ 0.0004954800000000, 0.0003400500000000, -0.0000527000000000 ] - [ -0.0004234200000000, -0.0006291200000000, -0.0003184300000000 ] - [ -0.0001822400000000, 0.0002242600000000, -0.0016722200000000 ] - [ 0.0001810000000000, -0.0001000400000000, 0.0002523100000000 ] - [ -0.0001204800000000, -0.0000934300000000, 0.0000713300000000 ] - [ -0.0003915300000000, -0.0012684500000000, 0.0000014100000000 ] - [ -0.0006141500000000, 0.0030606400000000, 0.0011294600000000 ] - [ -0.0006618200000000, 0.0002765900000000, 0.0000116900000000 ] - [ -0.0004130600000000, 0.0000829200000000, -0.0000888300000000 ] - [ 0.0007804100000000, 0.0002493000000000, -0.0003347500000000 ] - [ 0.0001687000000000, 0.0000824500000000, -0.0000536000000000 ] - [ 0.0016483500000000, 0.0010829500000000, -0.0009661200000000 ] - [ 0.0007608800000000, -0.0005534300000000, -0.0000490100000000 ] - [ 0.0001278600000000, 0.0021577800000000, 0.0001004600000000 ] - [ 0.0007162000000000, -0.0015209800000000, 0.0004737700000000 ] - [ 0.0005452800000000, 0.0003763600000000, -0.0000262000000000 ] - [ 0.0002750000000000, 0.0001484700000000, -0.0000376200000000 ] - [ 0.0006468400000000, -0.0014373300000000, -0.0006157900000000 ] - [ 0.0008219400000000, 0.0011933300000000, -0.0001933300000000 ] - [ 0.0004797300000000, -0.0001244700000000, -0.0002256000000000 ] - [ 0.0005382800000000, -0.0002690700000000, -0.0003136200000000 ] - [ 0.0018859700000000, 0.0005145200000000, -0.0010327300000000 ] - [ 0.0001208100000000, -0.0003859800000000, -0.0002906400000000 ] - [ -0.0004656600000000, -0.0002757000000000, 0.0000275400000000 ] - [ -0.0004703200000000, -0.0001487300000000, -0.0000463800000000 ] - [ 0.0045160800000000, 0.0007773900000000, 0.0016125500000000 ] - [ -0.0002341000000000, -0.0005229200000000, -0.0001768300000000 ] - [ 0.0003810100000000, -0.0000680500000000, -0.0001148400000000 ] - [ 0.0000672900000000, -0.0000818900000000, 0.0000435100000000 ] - [ 0.0020177300000000, -0.0004822400000000, 0.0011471400000000 ] - [ 0.0008121900000000, 0.0000887600000000, 0.0005336200000000 ] - [ -0.0006019400000000, -0.0000131200000000, 0.0004234500000000 ] - [ -0.0012635000000000, -0.0001526900000000, 0.0014560100000000 ] - [ -0.0042767500000000, 0.0012650800000000, 0.0009062500000000 ] - [ -0.0002196200000000, 0.0001188400000000, -0.0000728900000000 ] - [ -0.0006183200000000, -0.0000852600000000, -0.0002627900000000 ] - [ -0.0012409800000000, -0.0005134600000000, -0.0012226700000000 ] - [ -0.0023835600000000, 0.0005957700000000, 0.0018518200000000 ] - [ -0.0004491600000000, 0.0004899100000000, 0.0004952300000000 ] - [ 0.0006723700000000, 0.0003008300000000, 0.0007173100000000 ] - [ 0.0004946300000000, 0.0003548300000000, 0.0004746100000000 ] - [ 0.0012935000000000, -0.0001693200000000, -0.0006936100000000 ] - [ 0.0005726500000000, -0.0000374600000000, -0.0002397300000000 ] - [ 0.0009003900000000, 0.0002863600000000, 0.0000620500000000 ] - [ 0.0001387400000000, 0.0001760200000000, 0.0000527500000000 ] - [ 0.0016107000000000, -0.0011128500000000, 0.0008907100000000 ] - [ 0.0016914700000000, 0.0004262000000000, 0.0007853400000000 ] - [ -0.0027850100000000, 0.0001914500000000, 0.0001312100000000 ] - [ -0.0010877300000000, -0.0001629800000000, 0.0001366000000000 ] - [ 0.0005846200000000, 0.0010963200000000, -0.0003791100000000 ] - [ 0.0011739400000000, -0.0012078600000000, -0.0005146800000000 ] - [ -0.0035307800000000, 0.0005703600000000, -0.0000681300000000 ] - [ -0.0023599900000000, -0.0005935700000000, 0.0001736700000000 ] - [ -0.0002922400000000, 0.0001598700000000, 0.0010266700000000 ] - [ -0.0005016400000000, -0.0002778100000000, 0.0002122700000000 ] - [ 0.0015225800000000, -0.0003749100000000, -0.0000090600000000 ] - [ 0.0015625700000000, -0.0003789900000000, -0.0000149100000000 ] - [ -0.0010058400000000, 0.0003791100000000, 0.0001115100000000 ] - [ -0.0002446300000000, -0.0000928000000000, 0.0000291900000000 ] - [ -0.0001166300000000, -0.0003159600000000, -0.0002743600000000 ] - [ -0.0001561400000000, -0.0000862500000000, -0.0002848500000000 ] - [ 0.0202947100000000, -0.0107529300000000, 0.0009109200000000 ] - [ 0.0003452800000000, -0.0003222100000000, -0.0001925500000000 ] - [ -0.0013231700000000, 0.0003214500000000, -0.0001929600000000 ] - [ -0.0006029700000000, 0.0004513000000000, -0.0001971100000000 ] - [ 0.0003086700000000, 0.0002166500000000, -0.0002825500000000 ] - [ 0.0002160000000000, 0.0005823000000000, -0.0002002900000000 ] - [ -0.0020729500000000, -0.0004149100000000, 0.0012431500000000 ] - [ -0.0002701500000000, -0.0000540900000000, -0.0000829800000000 ] - [ 0.0008459600000000, 0.0003692900000000, 0.0000535100000000 ] - [ 0.0008226500000000, 0.0001257200000000, -0.0000501900000000 ] - [ -0.0023172000000000, -0.0003229200000000, -0.0019889500000000 ] - [ -0.0002902700000000, 0.0003367700000000, -0.0003779800000000 ] - [ 0.0000085000000000, -0.0002869400000000, -0.0001595600000000 ] - [ 0.0000083500000000, -0.0005330400000000, -0.0000977300000000 ] - [ -0.0019356400000000, 0.0008713800000000, -0.0009885900000000 ] - [ -0.0015550700000000, -0.0001105400000000, -0.0003836900000000 ] - [ 0.0025531900000000, -0.0010124400000000, -0.0040088800000000 ] - [ 0.0006701500000000, -0.0000043500000000, -0.0003412200000000 ] - [ 0.0012705900000000, -0.0010448900000000, 0.0010922100000000 ] - [ 0.0021782200000000, 0.0046375300000000, 0.0035476800000000 ] - [ -0.0036247000000000, -0.0045844100000000, -0.0014488700000000 ] - [ -0.0009859500000000, 0.0012960700000000, -0.0002494600000000 ] - [ 0.0018413700000000, -0.0003498100000000, -0.0014750700000000 ] - [ 0.0006204000000000, -0.0000807300000000, -0.0002740200000000 ] - [ 0.0000678000000000, 0.0015353600000000, 0.0006034700000000 ] - [ -0.0041440300000000, -0.0044728400000000, 0.0028605900000000 ] - [ -0.0019947300000000, -0.0002052400000000, 0.0010462100000000 ] - [ -0.0008485000000000, -0.0000531000000000, 0.0005264900000000 ] - [ -0.0008902500000000, 0.0000233300000000, 0.0002737400000000 ] - [ -0.0002803900000000, 0.0001020300000000, 0.0000662100000000 ] - [ -0.0018218600000000, -0.0001862900000000, -0.0019689000000000 ] - [ -0.0004508400000000, 0.0000873100000000, -0.0005883300000000 ] - [ 0.0034848600000000, 0.0062181500000000, -0.0046273200000000 ] - [ 0.0017163600000000, -0.0033558800000000, -0.0032637700000000 ] - [ 0.0008419500000000, -0.0001433800000000, 0.0031026900000000 ] - [ 0.0001591800000000, 0.0002668700000000, 0.0006331600000000 ] - [ -0.0016948300000000, -0.0002043900000000, -0.0000941900000000 ] - [ -0.0009834700000000, 0.0002400100000000, 0.0000928500000000 ] - [ -0.0068286900000000, 0.0016823600000000, 0.0028420200000000 ] - [ -0.0008098500000000, -0.0009515400000000, 0.0002372000000000 ] - [ 0.0010067100000000, 0.0001741200000000, -0.0001804100000000 ] - [ 0.0030856700000000, -0.0003812700000000, -0.0007957600000000 ] - [ -0.0094458600000000, 0.0087737200000000, -0.0054276300000000 ] - [ 0.0003319000000000, -0.0012304600000000, -0.0001420700000000 ] - [ -0.0015540700000000, -0.0010137000000000, 0.0010659700000000 ] - [ -0.0021267000000000, 0.0009954700000000, 0.0011668800000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005338600000000, -0.0012976200000000, 0.0014179200000000 ] - [ -0.0001214600000000, -0.0000633300000000, -0.0023754800000000 ] - [ 0.0007824000000000, 0.0004579500000000, 0.0003292000000000 ] - [ -0.0002972400000000, -0.0006147500000000, -0.0004124900000000 ] - [ -0.0001729300000000, 0.0002176700000000, 0.0004165700000000 ] - [ 0.0002873000000000, -0.0004100900000000, -0.0004304200000000 ] - [ 0.0003628200000000, 0.0014135200000000, -0.0013093200000000 ] - [ -0.0000094600000000, -0.0006234100000000, 0.0003949800000000 ] - [ 0.0000132300000000, 0.0003861300000000, 0.0001492200000000 ] - [ -0.0001564700000000, -0.0001811000000000, -0.0001042800000000 ] - [ 0.0022643500000000, 0.0022251900000000, -0.0008047000000000 ] - [ -0.0007364900000000, -0.0020391700000000, 0.0005688200000000 ] - [ -0.0002828000000000, 0.0005348400000000, -0.0001843100000000 ] - [ 0.0000481300000000, -0.0005617100000000, 0.0002835400000000 ] - [ -0.0002308200000000, -0.0003794900000000, -0.0001117400000000 ] - [ 0.0011737400000000, 0.0004587700000000, 0.0002145500000000 ] - [ 0.0006602200000000, 0.0007271900000000, 0.0022379400000000 ] - [ 0.0000853200000000, -0.0011503500000000, -0.0004809700000000 ] - [ -0.0002790200000000, 0.0008153800000000, -0.0003491200000000 ] - [ -0.0000903800000000, -0.0003604600000000, 0.0005910100000000 ] - [ 0.0005606700000000, 0.0005055600000000, -0.0002647300000000 ] - [ -0.0000855000000000, -0.0001584100000000, 0.0006217400000000 ] - [ 0.0000017400000000, -0.0010494500000000, -0.0004409700000000 ] - [ -0.0011567000000000, 0.0008853700000000, 0.0020457200000000 ] - [ -0.0000802700000000, 0.0001500100000000, -0.0000645700000000 ] - [ -0.0003742400000000, -0.0003555400000000, 0.0001232800000000 ] - [ 0.0013788000000000, -0.0016176300000000, -0.0007716300000000 ] - [ -0.0019383900000000, -0.0007999300000000, -0.0001209500000000 ] - [ -0.0002768700000000, 0.0008070800000000, 0.0004684000000000 ] - [ -0.0002689800000000, -0.0004490600000000, -0.0002695500000000 ] - [ -0.0004184400000000, 0.0008241500000000, 0.0000654700000000 ] - [ 0.0000056300000000, -0.0002248400000000, 0.0001187800000000 ] - [ 0.0000660000000000, 0.0002572500000000, -0.0001952400000000 ] - [ 0.0004251500000000, -0.0005525500000000, 0.0001700900000000 ] - [ -0.0011730500000000, -0.0002533800000000, -0.0003709300000000 ] - [ 0.0010174000000000, -0.0013668300000000, 0.0005200200000000 ] - [ 0.0002363000000000, 0.0007149500000000, 0.0000107900000000 ] - [ -0.0001465500000000, -0.0004564300000000, 0.0000085500000000 ] - [ 0.0006336500000000, -0.0009456000000000, -0.0006515500000000 ] - [ -0.0012411000000000, -0.0008380300000000, 0.0005585600000000 ] - [ 0.0001569500000000, -0.0001721600000000, -0.0000502100000000 ] - [ 0.0001523000000000, 0.0000554300000000, -0.0003488100000000 ] - [ -0.0011776000000000, 0.0030482100000000, -0.0002132300000000 ] - [ 0.0002683800000000, -0.0015077400000000, -0.0001628300000000 ] - [ 0.0001599000000000, 0.0005012200000000, 0.0003699900000000 ] - [ -0.0000575800000000, -0.0009401900000000, -0.0005726200000000 ] - [ -0.0007861100000000, 0.0034561900000000, -0.0004561400000000 ] - [ -0.0004055200000000, -0.0014270800000000, -0.0003151600000000 ] - [ -0.0001700500000000, 0.0002193400000000, 0.0002991500000000 ] - [ -0.0002755100000000, -0.0002631700000000, 0.0001403900000000 ] - [ 0.0013689500000000, 0.0005360700000000, 0.0004805400000000 ] - [ 0.0000112700000000, -0.0005248500000000, 0.0003094500000000 ] - [ -0.0002502600000000, -0.0003742900000000, 0.0004167700000000 ] - [ -0.0006041600000000, 0.0002958200000000, 0.0009078600000000 ] - [ -0.0007602300000000, 0.0039005700000000, 0.0019009700000000 ] - [ -0.0007567400000000, -0.0014765000000000, -0.0005630600000000 ] - [ -0.0004346300000000, -0.0012574800000000, 0.0016467600000000 ] - [ -0.0001503700000000, -0.0002572700000000, -0.0011436900000000 ] - [ -0.0001538700000000, 0.0031799900000000, 0.0006210800000000 ] - [ -0.0000092500000000, -0.0003565900000000, -0.0002248500000000 ] - [ 0.0002505300000000, 0.0004311200000000, 0.0005869300000000 ] - [ -0.0003769900000000, -0.0000777700000000, -0.0002880300000000 ] - [ 0.0002186800000000, 0.0002419000000000, -0.0000285600000000 ] - [ 0.0000249300000000, -0.0006396000000000, 0.0002867300000000 ] - [ -0.0002486200000000, 0.0004876500000000, 0.0000854000000000 ] - [ -0.0005793300000000, -0.0000998300000000, 0.0001280400000000 ] - [ 0.0015676000000000, -0.0006367300000000, 0.0005465300000000 ] - [ -0.0013038700000000, -0.0006418200000000, -0.0006723200000000 ] - [ -0.0009407800000000, 0.0012663500000000, -0.0000848100000000 ] - [ -0.0003153400000000, -0.0007179900000000, 0.0000693800000000 ] - [ -0.0014358600000000, -0.0001118800000000, 0.0001665100000000 ] - [ 0.0018232500000000, -0.0008583600000000, -0.0001394700000000 ] - [ -0.0001598400000000, -0.0028909400000000, 0.0028158900000000 ] - [ 0.0001895100000000, -0.0011180700000000, -0.0006442200000000 ] - [ 0.0003097800000000, 0.0009064600000000, 0.0005784600000000 ] - [ -0.0003476900000000, -0.0006290200000000, 0.0000155800000000 ] - [ 0.0004913200000000, -0.0002817900000000, 0.0001410100000000 ] - [ -0.0000587000000000, -0.0002094500000000, 0.0000317900000000 ] - [ -0.0004367500000000, 0.0017807600000000, 0.0000708700000000 ] - [ 0.0003065400000000, -0.0014041200000000, 0.0000354000000000 ] - [ 0.0002701300000000, -0.0001857200000000, -0.0001198300000000 ] - [ 0.0002196800000000, -0.0001775000000000, -0.0002889200000000 ] - [ 0.0102565600000000, -0.0139295500000000, -0.0000282900000000 ] - [ -0.0002568400000000, 0.0006141600000000, -0.0002211500000000 ] - [ -0.0002599600000000, -0.0000666800000000, -0.0001511500000000 ] - [ -0.0001302000000000, 0.0007813400000000, -0.0001773700000000 ] - [ 0.0003651200000000, 0.0002294600000000, -0.0003955000000000 ] - [ -0.0000018800000000, 0.0006107200000000, -0.0000393200000000 ] - [ -0.0001822200000000, -0.0013688800000000, -0.0002482500000000 ] - [ -0.0001993400000000, 0.0004100100000000, -0.0002160300000000 ] - [ 0.0000282700000000, 0.0004545900000000, 0.0007681900000000 ] - [ 0.0003549800000000, 0.0006468100000000, -0.0006167800000000 ] - [ 0.0001983500000000, -0.0011603200000000, 0.0000078400000000 ] - [ -0.0003695900000000, 0.0008877800000000, -0.0001783100000000 ] - [ 0.0000481700000000, -0.0003687000000000, -0.0002882000000000 ] - [ 0.0002931700000000, -0.0003675700000000, -0.0001045200000000 ] - [ -0.0009638300000000, -0.0000166300000000, -0.0004832300000000 ] - [ 0.0010331700000000, 0.0007853000000000, 0.0003308600000000 ] - [ 0.0006486500000000, -0.0026411000000000, -0.0021250200000000 ] - [ -0.0000359100000000, 0.0009825500000000, 0.0003577700000000 ] - [ 0.0046253400000000, 0.0036123700000000, -0.0015051200000000 ] - [ -0.0019356900000000, 0.0039703100000000, 0.0036285800000000 ] - [ 0.0013483100000000, -0.0010801200000000, 0.0006036900000000 ] - [ -0.0006751400000000, 0.0018281400000000, -0.0002916600000000 ] - [ 0.0008465800000000, -0.0020206400000000, -0.0019877900000000 ] - [ -0.0001143700000000, 0.0015657900000000, 0.0005626800000000 ] - [ -0.0014753100000000, 0.0018963400000000, 0.0009579000000000 ] - [ 0.0059551700000000, -0.0013005200000000, -0.0033006400000000 ] - [ -0.0002570500000000, -0.0006987700000000, 0.0003492500000000 ] - [ -0.0001292100000000, 0.0005183100000000, -0.0000821900000000 ] - [ -0.0003570100000000, -0.0004408000000000, 0.0003005200000000 ] - [ 0.0005060100000000, 0.0005874000000000, -0.0004364400000000 ] - [ -0.0008886400000000, -0.0012726800000000, -0.0001074400000000 ] - [ 0.0002126900000000, 0.0009201100000000, -0.0000694700000000 ] - [ -0.0065061400000000, 0.0060411700000000, -0.0045596000000000 ] - [ 0.0024278900000000, 0.0049618400000000, 0.0037213500000000 ] - [ 0.0006070900000000, -0.0032792700000000, -0.0005059900000000 ] - [ -0.0006018600000000, 0.0017194900000000, 0.0000860000000000 ] - [ -0.0002885300000000, -0.0005076600000000, -0.0007737100000000 ] - [ 0.0001149700000000, 0.0006527700000000, 0.0004648800000000 ] - [ -0.0041866400000000, -0.0032993200000000, 0.0024721900000000 ] - [ 0.0009301200000000, 0.0023452000000000, -0.0009052600000000 ] - [ -0.0003175400000000, 0.0013494300000000, -0.0020355300000000 ] - [ 0.0001064000000000, -0.0013941400000000, 0.0020506300000000 ] - [ -0.0085515600000000, -0.0015657200000000, -0.0038850700000000 ] - [ 0.0009894500000000, 0.0022315800000000, 0.0009746500000000 ] - [ 0.0013109300000000, 0.0002061400000000, -0.0002665300000000 ] - [ -0.0011165000000000, 0.0002689400000000, 0.0004116800000000 ]- atom: 83 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004015600000000, 0.0015011100000000, -0.0015144300000000 ] - [ 0.0002506000000000, 0.0002668600000000, 0.0022873800000000 ] - [ -0.0009052100000000, -0.0006633800000000, -0.0004264600000000 ] - [ 0.0001666100000000, 0.0004101600000000, 0.0003105500000000 ] - [ 0.0003009100000000, -0.0004218200000000, -0.0005158100000000 ] - [ -0.0001573200000000, 0.0002022600000000, 0.0003292800000000 ] - [ -0.0004939700000000, -0.0012037900000000, 0.0012096900000000 ] - [ -0.0001195000000000, 0.0008292100000000, -0.0004964000000000 ] - [ -0.0002492300000000, -0.0002110100000000, -0.0001596100000000 ] - [ -0.0000823500000000, 0.0003556300000000, 0.0000932400000000 ] - [ -0.0021235800000000, -0.0023148500000000, 0.0007848100000000 ] - [ 0.0009747800000000, 0.0018668600000000, -0.0005811200000000 ] - [ 0.0000443400000000, -0.0007089400000000, 0.0001737600000000 ] - [ -0.0002849500000000, 0.0003899700000000, -0.0002956300000000 ] - [ 0.0004652500000000, 0.0005535600000000, 0.0001014300000000 ] - [ -0.0009336700000000, -0.0002873700000000, -0.0002262600000000 ] - [ -0.0002745900000000, -0.0011669400000000, -0.0018416900000000 ] - [ 0.0002923300000000, 0.0007008700000000, 0.0008873900000000 ] - [ -0.0000946300000000, -0.0003601000000000, 0.0007582300000000 ] - [ -0.0002907300000000, 0.0008088800000000, -0.0001895400000000 ] - [ -0.0001791600000000, -0.0000539700000000, 0.0006626300000000 ] - [ 0.0004625000000000, 0.0006093200000000, -0.0002172100000000 ] - [ -0.0003763200000000, 0.0005993400000000, 0.0008455100000000 ] - [ 0.0007793100000000, -0.0013445200000000, -0.0016484700000000 ] - [ -0.0004345200000000, -0.0003482800000000, 0.0000603300000000 ] - [ -0.0001488000000000, 0.0001573800000000, -0.0001330200000000 ] - [ -0.0008438300000000, 0.0018163300000000, 0.0007610000000000 ] - [ 0.0023873500000000, 0.0008623600000000, 0.0001047500000000 ] - [ -0.0002368800000000, -0.0006072200000000, -0.0004716800000000 ] - [ -0.0002480800000000, 0.0006449500000000, 0.0002593000000000 ] - [ 0.0000498200000000, -0.0004753300000000, 0.0001116900000000 ] - [ -0.0003682200000000, 0.0005720100000000, 0.0000594600000000 ] - [ 0.0004584800000000, -0.0004485500000000, 0.0001816300000000 ] - [ 0.0000979100000000, 0.0003505100000000, -0.0001765400000000 ] - [ 0.0011121000000000, 0.0004744600000000, 0.0003618400000000 ] - [ -0.0010638200000000, 0.0015760500000000, -0.0005280200000000 ] - [ -0.0001956000000000, -0.0005011200000000, -0.0000195300000000 ] - [ 0.0001934000000000, 0.0006731300000000, -0.0000154600000000 ] - [ -0.0006819200000000, 0.0007342500000000, 0.0006463900000000 ] - [ 0.0011968300000000, 0.0006231100000000, -0.0005682000000000 ] - [ 0.0000942000000000, 0.0001066300000000, -0.0003562200000000 ] - [ 0.0001032500000000, -0.0001194900000000, -0.0000607300000000 ] - [ 0.0009204500000000, -0.0029876600000000, -0.0001987600000000 ] - [ -0.0005189800000000, 0.0015779500000000, -0.0002455500000000 ] - [ 0.0000905100000000, -0.0004344200000000, -0.0007739900000000 ] - [ 0.0003156600000000, 0.0010071500000000, 0.0001601900000000 ] - [ 0.0005517200000000, -0.0035130100000000, 0.0000510500000000 ] - [ 0.0001522300000000, 0.0013587500000000, -0.0000922200000000 ] - [ -0.0003376800000000, -0.0002859700000000, 0.0001513000000000 ] - [ -0.0002304700000000, 0.0002014500000000, 0.0003122400000000 ] - [ -0.0008642700000000, -0.0004633200000000, -0.0000340100000000 ] - [ 0.0004960500000000, 0.0006055200000000, 0.0001323900000000 ] - [ -0.0002544400000000, 0.0004490900000000, 0.0000265700000000 ] - [ 0.0000935000000000, -0.0002443000000000, -0.0004437800000000 ] - [ 0.0014518900000000, -0.0041429600000000, -0.0015429100000000 ] - [ 0.0012573900000000, 0.0014047000000000, 0.0010086400000000 ] - [ 0.0002787700000000, 0.0007983300000000, -0.0013928600000000 ] - [ -0.0000071800000000, -0.0002043500000000, 0.0013979400000000 ] - [ 0.0003528000000000, -0.0027640700000000, -0.0003284000000000 ] - [ 0.0001619800000000, 0.0008138400000000, 0.0004770200000000 ] - [ -0.0004075400000000, 0.0000288800000000, -0.0003343900000000 ] - [ 0.0002222300000000, 0.0005398600000000, 0.0005519300000000 ] - [ -0.0000630500000000, -0.0006969500000000, 0.0002732300000000 ] - [ 0.0001317300000000, 0.0001867100000000, -0.0000485200000000 ] - [ -0.0006750500000000, -0.0001425800000000, 0.0001126900000000 ] - [ -0.0003525000000000, 0.0004376300000000, 0.0000693400000000 ] - [ -0.0006466400000000, 0.0002948400000000, -0.0003515900000000 ] - [ 0.0022215400000000, 0.0002900500000000, 0.0008719700000000 ] - [ -0.0000006600000000, -0.0016020500000000, 0.0002910900000000 ] - [ -0.0006026900000000, 0.0003704800000000, 0.0001265700000000 ] - [ 0.0023492600000000, 0.0004611800000000, 0.0000302900000000 ] - [ -0.0009036400000000, 0.0011987100000000, 0.0003331300000000 ] - [ 0.0005438200000000, 0.0033120600000000, -0.0026586500000000 ] - [ 0.0001822800000000, 0.0014742400000000, 0.0008262900000000 ] - [ -0.0006678600000000, -0.0012421600000000, -0.0003956200000000 ] - [ -0.0000293900000000, 0.0002698800000000, 0.0001585800000000 ] - [ -0.0001175700000000, -0.0000681400000000, 0.0000363600000000 ] - [ 0.0004440400000000, -0.0001474400000000, 0.0001435000000000 ] - [ 0.0004719800000000, -0.0019910900000000, -0.0000835300000000 ] - [ -0.0002594200000000, 0.0011851500000000, -0.0000421500000000 ] - [ 0.0002560000000000, -0.0002120900000000, -0.0002766800000000 ] - [ 0.0003043500000000, -0.0002174400000000, -0.0001064000000000 ] - [ -0.0106623600000000, 0.0131854900000000, -0.0002343700000000 ] - [ -0.0000942600000000, -0.0014253400000000, -0.0001432800000000 ] - [ -0.0000929900000000, 0.0008779400000000, -0.0002141000000000 ] - [ -0.0002227000000000, 0.0000298700000000, -0.0001886600000000 ] - [ -0.0000125700000000, 0.0005802300000000, 0.0000308200000000 ] - [ 0.0003536400000000, 0.0002025200000000, -0.0003255300000000 ] - [ -0.0003487200000000, 0.0009698800000000, -0.0001428900000000 ] - [ -0.0003248500000000, -0.0008054900000000, -0.0001817800000000 ] - [ 0.0004961300000000, -0.0000598600000000, -0.0011599200000000 ] - [ 0.0001713500000000, -0.0002494300000000, 0.0002231000000000 ] - [ -0.0007139600000000, 0.0015613100000000, -0.0003997700000000 ] - [ -0.0001552200000000, -0.0004916800000000, -0.0002186600000000 ] - [ 0.0003041300000000, -0.0004419400000000, -0.0000772900000000 ] - [ 0.0000591100000000, -0.0004418600000000, -0.0002612200000000 ] - [ 0.0011471900000000, 0.0000783000000000, 0.0006703100000000 ] - [ -0.0008531800000000, -0.0007213400000000, -0.0001399500000000 ] - [ -0.0008383200000000, 0.0027050700000000, 0.0022929700000000 ] - [ -0.0001428100000000, -0.0009232500000000, -0.0001673200000000 ] - [ -0.0044275800000000, -0.0036529700000000, 0.0016781000000000 ] - [ 0.0021525200000000, -0.0040309200000000, -0.0034547800000000 ] - [ -0.0016072000000000, 0.0012187600000000, -0.0007451100000000 ] - [ 0.0004136700000000, -0.0016568700000000, 0.0001536200000000 ] - [ -0.0005905100000000, 0.0018456800000000, 0.0018586500000000 ] - [ 0.0003746700000000, -0.0017288600000000, -0.0007055800000000 ] - [ 0.0012005200000000, -0.0020651900000000, -0.0010976300000000 ] - [ -0.0062365700000000, 0.0011524400000000, 0.0031738200000000 ] - [ 0.0000724000000000, 0.0006316400000000, -0.0001594100000000 ] - [ -0.0000518200000000, -0.0005817100000000, 0.0002736600000000 ] - [ 0.0006134300000000, 0.0006112500000000, -0.0004343800000000 ] - [ -0.0002415400000000, -0.0004204100000000, 0.0002960800000000 ] - [ 0.0005999700000000, 0.0011440800000000, 0.0000443000000000 ] - [ -0.0004955800000000, -0.0010453600000000, 0.0000118700000000 ] - [ 0.0067219700000000, -0.0058888600000000, 0.0044662400000000 ] - [ -0.0021607500000000, -0.0048565900000000, -0.0037964700000000 ] - [ -0.0008827600000000, 0.0034149100000000, 0.0004430400000000 ] - [ 0.0003156300000000, -0.0015909900000000, -0.0001419000000000 ] - [ 0.0002344800000000, 0.0006677400000000, 0.0006046700000000 ] - [ -0.0001713000000000, -0.0004898900000000, -0.0006313100000000 ] - [ 0.0042502500000000, 0.0031362400000000, -0.0026433600000000 ] - [ -0.0008798000000000, -0.0025064400000000, 0.0007379300000000 ] - [ 0.0002619200000000, -0.0015094600000000, 0.0018629400000000 ] - [ -0.0001530200000000, 0.0012427700000000, -0.0022247300000000 ] - [ 0.0086159700000000, 0.0017647600000000, 0.0037258100000000 ] - [ -0.0009279400000000, -0.0020638400000000, -0.0011384700000000 ] - [ -0.0010190500000000, -0.0003357900000000, 0.0002085900000000 ] - [ 0.0013957600000000, -0.0003915500000000, -0.0004692000000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002146600000000, 0.0008614000000000, -0.0006883900000000 ] - [ -0.0006108800000000, -0.0017569800000000, -0.0012548200000000 ] - [ -0.0015651100000000, -0.0000260500000000, -0.0004651900000000 ] - [ -0.0000974600000000, -0.0002520300000000, -0.0001195600000000 ] - [ 0.0002310900000000, -0.0001988900000000, -0.0002342600000000 ] - [ 0.0001709500000000, -0.0001272400000000, -0.0001469800000000 ] - [ 0.0015519300000000, -0.0005027900000000, -0.0001309900000000 ] - [ -0.0000505200000000, 0.0002231200000000, -0.0000535200000000 ] - [ -0.0004385100000000, -0.0001298300000000, -0.0004481000000000 ] - [ -0.0001232900000000, 0.0001207700000000, -0.0000871300000000 ] - [ -0.0007060300000000, -0.0006694300000000, 0.0034122100000000 ] - [ -0.0000630700000000, -0.0000633900000000, 0.0002179800000000 ] - [ -0.0003710000000000, 0.0003418600000000, -0.0014398000000000 ] - [ -0.0002433100000000, 0.0000201700000000, -0.0003587400000000 ] - [ 0.0001486700000000, 0.0000506500000000, 0.0002789500000000 ] - [ 0.0005282200000000, 0.0003484200000000, 0.0005281700000000 ] - [ -0.0008866300000000, 0.0010209900000000, -0.0009522000000000 ] - [ 0.0000451500000000, -0.0006027400000000, 0.0000517000000000 ] - [ -0.0004142500000000, -0.0000809800000000, 0.0003427000000000 ] - [ -0.0001922100000000, 0.0003635700000000, 0.0002035600000000 ] - [ 0.0003901500000000, 0.0002725800000000, -0.0000290700000000 ] - [ 0.0003498600000000, 0.0003138100000000, 0.0000690000000000 ] - [ -0.0001263900000000, -0.0003932600000000, 0.0002704300000000 ] - [ 0.0014092200000000, 0.0009580000000000, -0.0002061900000000 ] - [ -0.0005252200000000, 0.0001322100000000, -0.0006134300000000 ] - [ -0.0002357800000000, -0.0000814200000000, -0.0001283500000000 ] - [ -0.0001826400000000, 0.0003358300000000, 0.0007222300000000 ] - [ -0.0003820600000000, 0.0003923900000000, 0.0029714600000000 ] - [ -0.0003769100000000, -0.0003628100000000, -0.0014485400000000 ] - [ -0.0003391900000000, 0.0001120800000000, -0.0002219100000000 ] - [ 0.0001219000000000, 0.0001766800000000, -0.0002412800000000 ] - [ -0.0002647400000000, 0.0001960300000000, 0.0000239300000000 ] - [ 0.0000191100000000, -0.0005223500000000, 0.0005745200000000 ] - [ 0.0002045700000000, -0.0000600000000000, 0.0002006800000000 ] - [ -0.0002706900000000, -0.0008091000000000, 0.0004110600000000 ] - [ -0.0004689100000000, 0.0007767700000000, 0.0008660300000000 ] - [ -0.0000442200000000, 0.0001325800000000, -0.0002051600000000 ] - [ 0.0000136900000000, 0.0001036600000000, -0.0000707500000000 ] - [ -0.0002179400000000, -0.0002685900000000, 0.0003841400000000 ] - [ 0.0000381700000000, 0.0003258800000000, 0.0003799200000000 ] - [ 0.0001372000000000, -0.0001812500000000, -0.0003553100000000 ] - [ 0.0000789200000000, 0.0001272300000000, -0.0003583500000000 ] - [ 0.0001192000000000, 0.0000515100000000, 0.0005814900000000 ] - [ -0.0002277800000000, 0.0000910900000000, -0.0001027800000000 ] - [ 0.0001910700000000, 0.0000951100000000, -0.0010295400000000 ] - [ 0.0002848100000000, 0.0001146900000000, -0.0008656800000000 ] - [ -0.0015590200000000, -0.0003447000000000, 0.0015902100000000 ] - [ -0.0000154400000000, 0.0003045400000000, -0.0000047100000000 ] - [ -0.0002170200000000, -0.0002295900000000, -0.0000434500000000 ] - [ -0.0002705800000000, 0.0000056000000000, 0.0001727400000000 ] - [ 0.0001309400000000, -0.0000889600000000, 0.0004732900000000 ] - [ 0.0002026700000000, 0.0000203400000000, 0.0003495100000000 ] - [ -0.0001518400000000, 0.0000557000000000, -0.0001915200000000 ] - [ 0.0003175300000000, 0.0008638200000000, -0.0022634700000000 ] - [ 0.0000841100000000, 0.0012353000000000, 0.0046502300000000 ] - [ 0.0009761700000000, 0.0006367700000000, 0.0010743100000000 ] - [ 0.0001619400000000, 0.0002062400000000, -0.0005885300000000 ] - [ 0.0002045100000000, -0.0007183800000000, -0.0006511700000000 ] - [ -0.0013953300000000, 0.0008781000000000, 0.0028818000000000 ] - [ 0.0001165400000000, 0.0000915800000000, 0.0001681900000000 ] - [ -0.0002895300000000, 0.0001768800000000, -0.0000602200000000 ] - [ -0.0001802400000000, 0.0002251600000000, 0.0000324600000000 ] - [ 0.0003104700000000, -0.0002887200000000, 0.0003201400000000 ] - [ 0.0000657500000000, -0.0001768200000000, 0.0001552500000000 ] - [ -0.0006906500000000, 0.0000775800000000, -0.0000650700000000 ] - [ -0.0005083200000000, 0.0001555100000000, 0.0000639000000000 ] - [ 0.0001052600000000, -0.0001778500000000, 0.0003430200000000 ] - [ 0.0001482200000000, -0.0003034400000000, 0.0003932200000000 ] - [ 0.0008682700000000, 0.0002112600000000, -0.0030914100000000 ] - [ -0.0004094800000000, -0.0000718700000000, -0.0000335000000000 ] - [ 0.0017403200000000, 0.0004880600000000, 0.0004233800000000 ] - [ 0.0011996100000000, -0.0002337500000000, 0.0001337400000000 ] - [ 0.0002981200000000, 0.0029171000000000, 0.0005987200000000 ] - [ 0.0000022300000000, -0.0003341600000000, 0.0003165900000000 ] - [ -0.0015143400000000, -0.0007353400000000, -0.0010863200000000 ] - [ -0.0001145500000000, -0.0001013500000000, 0.0000229400000000 ] - [ 0.0000424300000000, -0.0002110700000000, 0.0001607000000000 ] - [ 0.0000926800000000, -0.0001558200000000, 0.0001351700000000 ] - [ -0.0002826900000000, -0.0006714000000000, -0.0024234100000000 ] - [ -0.0000058100000000, 0.0000502900000000, -0.0002267200000000 ] - [ 0.0003071900000000, -0.0000673900000000, -0.0001553900000000 ] - [ 0.0003713500000000, -0.0003747700000000, -0.0001351200000000 ] - [ -0.0013552600000000, -0.0002441900000000, -0.0109169300000000 ] - [ -0.0001661300000000, -0.0004429700000000, -0.0003796100000000 ] - [ -0.0001640900000000, 0.0003726700000000, -0.0003434300000000 ] - [ -0.0001612300000000, 0.0003987700000000, -0.0002142600000000 ] - [ 0.0000754400000000, 0.0006186500000000, 0.0001965600000000 ] - [ 0.0001579800000000, 0.0002604400000000, 0.0001474900000000 ] - [ -0.0018347000000000, -0.0002175400000000, -0.0001571300000000 ] - [ -0.0003814800000000, -0.0002077300000000, -0.0002265800000000 ] - [ -0.0000483700000000, 0.0012043800000000, 0.0007181200000000 ] - [ 0.0001283500000000, -0.0003665600000000, 0.0001426300000000 ] - [ 0.0016033200000000, 0.0004626900000000, -0.0000162100000000 ] - [ -0.0001295800000000, 0.0001484400000000, -0.0002724900000000 ] - [ 0.0002599200000000, -0.0003243000000000, 0.0000136600000000 ] - [ 0.0001979800000000, -0.0005093700000000, 0.0000134700000000 ] - [ 0.0005386300000000, 0.0001108400000000, -0.0000088000000000 ] - [ 0.0004116300000000, 0.0001499400000000, 0.0000722400000000 ] - [ 0.0014320400000000, -0.0007739900000000, 0.0075965100000000 ] - [ -0.0001855600000000, -0.0000412600000000, 0.0003273500000000 ] - [ -0.0025362800000000, -0.0020210000000000, 0.0003186200000000 ] - [ -0.0013086800000000, 0.0025789500000000, 0.0008380400000000 ] - [ 0.0009599600000000, 0.0012216700000000, -0.0006508100000000 ] - [ 0.0000724200000000, -0.0003528800000000, -0.0003488900000000 ] - [ 0.0008143400000000, -0.0004637200000000, 0.0038627200000000 ] - [ 0.0001934800000000, -0.0000543100000000, 0.0004770500000000 ] - [ 0.0000787100000000, 0.0001053100000000, -0.0005969800000000 ] - [ -0.0021950100000000, -0.0024069400000000, -0.0025997500000000 ] - [ -0.0003528600000000, 0.0001742600000000, 0.0002647200000000 ] - [ -0.0000116700000000, -0.0000743200000000, 0.0001168600000000 ] - [ 0.0002698900000000, -0.0000830100000000, 0.0005334300000000 ] - [ 0.0000164400000000, 0.0001602700000000, 0.0001715000000000 ] - [ 0.0014486700000000, 0.0002625800000000, 0.0010512800000000 ] - [ -0.0001546100000000, -0.0001079000000000, 0.0001841500000000 ] - [ 0.0044174400000000, -0.0036395200000000, -0.0017460500000000 ] - [ 0.0015124700000000, 0.0018102200000000, -0.0017460500000000 ] - [ -0.0030863600000000, -0.0002977300000000, 0.0037872500000000 ] - [ -0.0000842100000000, -0.0000105000000000, 0.0004042300000000 ] - [ 0.0002097800000000, 0.0002976900000000, 0.0006589200000000 ] - [ 0.0000249900000000, -0.0000469500000000, 0.0001790100000000 ] - [ -0.0010689200000000, 0.0011883800000000, -0.0023857900000000 ] - [ 0.0001578500000000, -0.0003934800000000, -0.0004233800000000 ] - [ -0.0000081300000000, -0.0005050700000000, 0.0013052800000000 ] - [ -0.0004812900000000, 0.0009560200000000, 0.0046169200000000 ] - [ 0.0055534000000000, -0.0038303700000000, -0.0068291400000000 ] - [ -0.0002735300000000, 0.0007491300000000, -0.0010468900000000 ] - [ -0.0006849100000000, 0.0000003600000000, -0.0005144400000000 ] - [ -0.0003982300000000, -0.0001004400000000, -0.0002479900000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003421100000000, -0.0006553300000000, 0.0005854900000000 ] - [ 0.0007478200000000, 0.0019850100000000, 0.0011540800000000 ] - [ 0.0014332100000000, -0.0001765600000000, 0.0003698300000000 ] - [ -0.0000326400000000, 0.0000490000000000, 0.0000206300000000 ] - [ -0.0001020600000000, -0.0000072300000000, 0.0001331000000000 ] - [ -0.0000431600000000, -0.0000815400000000, 0.0000473200000000 ] - [ -0.0016654400000000, 0.0007023400000000, 0.0000431000000000 ] - [ -0.0000794400000000, -0.0000207700000000, -0.0000427600000000 ] - [ 0.0002090800000000, 0.0002931600000000, 0.0004314200000000 ] - [ -0.0001062100000000, 0.0000450000000000, 0.0000723100000000 ] - [ 0.0009268900000000, 0.0005085500000000, -0.0034273700000000 ] - [ 0.0002866700000000, -0.0001065600000000, -0.0002333200000000 ] - [ 0.0001468700000000, -0.0005015900000000, 0.0014240200000000 ] - [ 0.0000184000000000, -0.0001844900000000, 0.0003442000000000 ] - [ 0.0000797500000000, 0.0001167300000000, -0.0002930300000000 ] - [ -0.0002950600000000, -0.0001852300000000, -0.0005434000000000 ] - [ 0.0012581400000000, -0.0014980900000000, 0.0013654600000000 ] - [ 0.0003247300000000, 0.0001475700000000, 0.0003524500000000 ] - [ 0.0000490600000000, 0.0005353200000000, 0.0000790800000000 ] - [ -0.0001731100000000, 0.0000958000000000, 0.0002080000000000 ] - [ -0.0000294500000000, 0.0001852900000000, 0.0004473100000000 ] - [ 0.0000195400000000, 0.0001480300000000, 0.0003329000000000 ] - [ -0.0002340600000000, -0.0000618900000000, 0.0001530200000000 ] - [ -0.0017606500000000, -0.0014037200000000, 0.0006229100000000 ] - [ -0.0000010300000000, -0.0003233700000000, 0.0005951900000000 ] - [ -0.0002706900000000, -0.0001117500000000, 0.0001242800000000 ] - [ 0.0007081000000000, -0.0001349900000000, -0.0007379300000000 ] - [ 0.0008849100000000, -0.0002151500000000, -0.0029832400000000 ] - [ -0.0001359000000000, 0.0005525700000000, 0.0014342400000000 ] - [ -0.0001617900000000, 0.0000790100000000, 0.0002172200000000 ] - [ -0.0004830300000000, 0.0001750600000000, 0.0004183200000000 ] - [ -0.0001084300000000, 0.0001671500000000, 0.0001495400000000 ] - [ 0.0005046000000000, 0.0003302000000000, -0.0005903700000000 ] - [ 0.0003129400000000, -0.0001368400000000, -0.0002084400000000 ] - [ 0.0002303800000000, 0.0010369000000000, -0.0004167400000000 ] - [ 0.0004333000000000, -0.0005593700000000, -0.0008715800000000 ] - [ 0.0000854700000000, 0.0000970800000000, 0.0001964700000000 ] - [ 0.0000135900000000, 0.0001071300000000, 0.0000594200000000 ] - [ 0.0001682100000000, 0.0000449700000000, -0.0003845500000000 ] - [ -0.0000756500000000, -0.0005450600000000, -0.0003840900000000 ] - [ 0.0001249000000000, 0.0001189300000000, -0.0000630900000000 ] - [ 0.0001995200000000, -0.0002057000000000, -0.0000730100000000 ] - [ -0.0003941300000000, 0.0000166800000000, -0.0009969900000000 ] - [ -0.0000442700000000, -0.0000104200000000, -0.0003201700000000 ] - [ 0.0000793900000000, -0.0000297000000000, 0.0006030700000000 ] - [ -0.0000184700000000, -0.0000445800000000, 0.0004440800000000 ] - [ 0.0013014800000000, 0.0002673600000000, -0.0019984000000000 ] - [ -0.0002487600000000, -0.0003725400000000, -0.0004139300000000 ] - [ -0.0002922500000000, 0.0001533500000000, 0.0004955400000000 ] - [ -0.0002366400000000, -0.0000812300000000, 0.0002748000000000 ] - [ 0.0003712700000000, 0.0001658300000000, -0.0000260700000000 ] - [ 0.0003064100000000, 0.0000515700000000, 0.0001037400000000 ] - [ -0.0003593400000000, 0.0000100000000000, 0.0006457400000000 ] - [ -0.0008323900000000, -0.0007816200000000, 0.0027178000000000 ] - [ 0.0004571200000000, -0.0013292500000000, -0.0041962800000000 ] - [ -0.0004670400000000, -0.0007179100000000, -0.0006250400000000 ] - [ -0.0003179900000000, -0.0006631300000000, 0.0008327800000000 ] - [ -0.0003690600000000, 0.0002739800000000, 0.0008798900000000 ] - [ 0.0016654500000000, -0.0005204200000000, -0.0024120800000000 ] - [ 0.0000450600000000, 0.0003639000000000, 0.0000791900000000 ] - [ 0.0001307500000000, 0.0002788700000000, 0.0003064800000000 ] - [ 0.0000182700000000, 0.0002309100000000, 0.0002123000000000 ] - [ -0.0001464900000000, -0.0001689800000000, -0.0000659200000000 ] - [ 0.0000951800000000, -0.0002841000000000, 0.0001034300000000 ] - [ -0.0002407900000000, 0.0002476600000000, 0.0002622200000000 ] - [ -0.0004139800000000, 0.0001747100000000, 0.0001336300000000 ] - [ 0.0008212200000000, -0.0001514500000000, -0.0001518900000000 ] - [ 0.0007839900000000, -0.0000223500000000, -0.0002012200000000 ] - [ -0.0017900100000000, -0.0005332700000000, 0.0032617200000000 ] - [ -0.0005275800000000, -0.0002479400000000, 0.0002330600000000 ] - [ -0.0008141800000000, -0.0001623700000000, -0.0002291300000000 ] - [ -0.0002562000000000, 0.0005438800000000, 0.0000603500000000 ] - [ 0.0000799200000000, -0.0025334900000000, -0.0004566900000000 ] - [ 0.0003552000000000, 0.0006795200000000, -0.0001457200000000 ] - [ 0.0011329700000000, 0.0003803100000000, 0.0012614100000000 ] - [ -0.0002516800000000, -0.0002495800000000, 0.0001546800000000 ] - [ 0.0003257800000000, -0.0001413800000000, 0.0000147800000000 ] - [ 0.0002739900000000, -0.0001912200000000, 0.0000427500000000 ] - [ 0.0003285500000000, 0.0004507400000000, 0.0024301500000000 ] - [ 0.0000289400000000, -0.0002642600000000, 0.0002149500000000 ] - [ 0.0002198000000000, -0.0003277800000000, -0.0002440900000000 ] - [ 0.0001534300000000, -0.0000218800000000, -0.0002612900000000 ] - [ 0.0008112000000000, -0.0004501300000000, 0.0103560500000000 ] - [ -0.0001862700000000, -0.0003634000000000, 0.0000169100000000 ] - [ -0.0001881200000000, 0.0004365900000000, -0.0000202000000000 ] - [ -0.0001916800000000, 0.0004111800000000, -0.0001501900000000 ] - [ 0.0002786500000000, 0.0001932500000000, -0.0005588400000000 ] - [ 0.0001953400000000, 0.0005471300000000, -0.0005103500000000 ] - [ 0.0013170000000000, -0.0001798400000000, -0.0002338800000000 ] - [ -0.0001431500000000, -0.0001871500000000, -0.0001694900000000 ] - [ 0.0005717900000000, -0.0008008000000000, -0.0011137000000000 ] - [ 0.0003965100000000, 0.0007578800000000, -0.0005409900000000 ] - [ -0.0021349300000000, -0.0000689900000000, -0.0003713100000000 ] - [ -0.0003942300000000, 0.0002456400000000, -0.0001222100000000 ] - [ 0.0000892300000000, -0.0004802200000000, -0.0003748500000000 ] - [ 0.0001524900000000, -0.0003008100000000, -0.0003767100000000 ] - [ -0.0003581500000000, -0.0000431600000000, 0.0002024800000000 ] - [ -0.0002298200000000, -0.0000758300000000, 0.0001204100000000 ] - [ -0.0015656400000000, 0.0008012300000000, -0.0073835600000000 ] - [ 0.0000084700000000, 0.0001030600000000, -0.0001395300000000 ] - [ 0.0027103500000000, 0.0019555800000000, -0.0001276700000000 ] - [ 0.0015041200000000, -0.0026509200000000, -0.0006227200000000 ] - [ -0.0012307000000000, -0.0010592600000000, 0.0005009600000000 ] - [ -0.0003342800000000, 0.0005267500000000, 0.0002147300000000 ] - [ -0.0005641800000000, 0.0003118700000000, -0.0040093100000000 ] - [ 0.0000643800000000, -0.0001245900000000, -0.0006127700000000 ] - [ -0.0003426700000000, -0.0002826800000000, 0.0004532700000000 ] - [ 0.0019427000000000, 0.0022329800000000, 0.0024234800000000 ] - [ 0.0001687400000000, -0.0002364000000000, -0.0000828300000000 ] - [ -0.0001670800000000, 0.0000023600000000, 0.0000683900000000 ] - [ -0.0000109100000000, 0.0002532800000000, -0.0006651100000000 ] - [ 0.0002400400000000, 0.0000154900000000, -0.0002969200000000 ] - [ -0.0017244300000000, -0.0003901500000000, -0.0011139600000000 ] - [ -0.0001294700000000, -0.0000190900000000, -0.0002428100000000 ] - [ -0.0041367700000000, 0.0037712300000000, 0.0017338500000000 ] - [ -0.0012310900000000, -0.0016837800000000, 0.0017274900000000 ] - [ 0.0027651000000000, 0.0004199000000000, -0.0038366900000000 ] - [ -0.0002006100000000, 0.0001385600000000, -0.0004663000000000 ] - [ -0.0002620600000000, -0.0001398400000000, -0.0008199500000000 ] - [ -0.0000785900000000, 0.0002043400000000, -0.0003428300000000 ] - [ 0.0011362900000000, -0.0013416800000000, 0.0021870500000000 ] - [ -0.0001007500000000, 0.0002365700000000, 0.0002545000000000 ] - [ -0.0000437300000000, 0.0003547500000000, -0.0014658600000000 ] - [ 0.0004336400000000, -0.0011400900000000, -0.0047931700000000 ] - [ -0.0055139600000000, 0.0040028400000000, 0.0066199300000000 ] - [ 0.0003255300000000, -0.0005942500000000, 0.0008802900000000 ] - [ 0.0009706000000000, -0.0001288600000000, 0.0004593400000000 ] - [ 0.0006777600000000, -0.0000245500000000, 0.0001936000000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0092854900000000, -0.0037317200000000, 0.0066522200000000 ] - [ -0.0003026100000000, 0.0009103800000000, -0.0002739000000000 ] - [ -0.0004847700000000, -0.0005677900000000, 0.0000533000000000 ] - [ -0.0008298500000000, 0.0010265400000000, 0.0012989900000000 ] - [ -0.0080883800000000, -0.0069200300000000, -0.0122731100000000 ] - [ 0.0002559800000000, 0.0008259400000000, 0.0002615900000000 ] - [ 0.0003867400000000, 0.0018541200000000, -0.0022520700000000 ] - [ 0.0002219000000000, -0.0004945500000000, -0.0006087800000000 ] - [ -0.0011140400000000, -0.0020194700000000, -0.0033369900000000 ] - [ -0.0004023700000000, 0.0006113700000000, -0.0004407700000000 ] - [ -0.0011617900000000, 0.0072381100000000, -0.0075871600000000 ] - [ 0.0001309100000000, -0.0011105100000000, 0.0001796900000000 ] - [ -0.0000306200000000, 0.0004306400000000, 0.0002893600000000 ] - [ -0.0000818700000000, -0.0014428800000000, 0.0017677100000000 ] - [ -0.0079932100000000, 0.0032951400000000, 0.0049600800000000 ] - [ -0.0000501400000000, -0.0005788900000000, -0.0000154100000000 ] - [ -0.0081519100000000, 0.0061599600000000, 0.0087346500000000 ] - [ 0.0000283800000000, -0.0012638100000000, 0.0001862500000000 ] - [ -0.0006454000000000, -0.0012952100000000, 0.0021880000000000 ] - [ -0.0002029500000000, 0.0005748600000000, 0.0002568300000000 ] - [ 0.0000287500000000, -0.0009360000000000, 0.0005233100000000 ] - [ -0.0049272500000000, 0.0051721700000000, -0.0049607400000000 ] - [ -0.0004055500000000, -0.0019478900000000, -0.0021921800000000 ] - [ -0.0002057600000000, 0.0002582800000000, 0.0001339500000000 ] - [ -0.0006771400000000, -0.0008576000000000, -0.0003565800000000 ] - [ -0.0011773500000000, 0.0013315900000000, -0.0022822500000000 ] - [ -0.0050056600000000, -0.0037763100000000, -0.0062666900000000 ] - [ 0.0001698700000000, 0.0006378800000000, 0.0000359000000000 ] - [ 0.0005805200000000, 0.0014150200000000, 0.0024628800000000 ] - [ -0.0000282400000000, -0.0004424000000000, 0.0002309100000000 ] - [ 0.0020461800000000, 0.0003472600000000, -0.0002077700000000 ] - [ 0.0023215700000000, -0.0005135000000000, -0.0000889600000000 ] - [ -0.0075201800000000, -0.0046021500000000, 0.0071615500000000 ] - [ 0.0001962700000000, 0.0005413400000000, -0.0000041100000000 ] - [ -0.0027658100000000, 0.0005514800000000, 0.0011110600000000 ] - [ -0.0006304000000000, 0.0006045100000000, 0.0000120500000000 ] - [ 0.0013197600000000, -0.0018150300000000, -0.0016142200000000 ] - [ 0.0012794200000000, 0.0035404600000000, -0.0016276300000000 ] - [ 0.0028481500000000, 0.0006711900000000, -0.0058229500000000 ] - [ 0.0006107400000000, 0.0002810100000000, 0.0000058900000000 ] - [ 0.0016002500000000, -0.0005252900000000, -0.0042568400000000 ] - [ 0.0006838800000000, -0.0008390700000000, -0.0004024800000000 ] - [ 0.0014731400000000, 0.0005602000000000, -0.0002368700000000 ] - [ 0.0025246400000000, -0.0051327600000000, -0.0024269400000000 ] - [ -0.0019892600000000, -0.0004732400000000, 0.0020324300000000 ] - [ -0.0004252200000000, -0.0005924700000000, -0.0000069500000000 ] - [ -0.0027476700000000, -0.0030428700000000, 0.0002624400000000 ] - [ -0.0012814100000000, 0.0014232700000000, 0.0002296500000000 ] - [ 0.0012902300000000, -0.0006703200000000, -0.0008936500000000 ] - [ 0.0009926200000000, 0.0000106500000000, -0.0007923500000000 ] - [ 0.0243257100000000, -0.0051479900000000, 0.0104035900000000 ] - [ 0.0021773900000000, -0.0002841200000000, 0.0011568000000000 ] - [ -0.0019315900000000, -0.0005600500000000, 0.0013124600000000 ] - [ -0.0014362200000000, 0.0000862600000000, 0.0011691100000000 ] - [ -0.0010301300000000, -0.0004750000000000, -0.0005443800000000 ] - [ -0.0037721900000000, -0.0001441700000000, -0.0012710000000000 ] - [ -0.0048361800000000, 0.0003329600000000, -0.0011658200000000 ] - [ -0.0013874200000000, 0.0001939500000000, -0.0006757200000000 ] - [ -0.0014895000000000, 0.0002829500000000, 0.0009573800000000 ] - [ -0.0019329600000000, 0.0005601600000000, 0.0009376900000000 ] - [ 0.0257276900000000, 0.0034352200000000, 0.0029078600000000 ] - [ 0.0013438900000000, 0.0006767700000000, 0.0009913700000000 ] - [ 0.0025442900000000, 0.0005645300000000, -0.0019945200000000 ] - [ 0.0021333000000000, -0.0001300000000000, -0.0008058500000000 ] - [ 0.0015021500000000, -0.0003213400000000, -0.0007286000000000 ] - [ 0.0012697300000000, 0.0008794100000000, -0.0004673300000000 ] - [ 0.1381467700000000, 0.0825775800000000, 0.0098010500000000 ] - [ 0.0019507600000000, 0.0001921800000000, 0.0003783000000000 ] - [ -0.0024719300000000, 0.0003899100000000, 0.0005339700000000 ] - [ -0.0021854200000000, -0.0005982500000000, 0.0005157500000000 ] - [ -0.0071279800000000, 0.0007471800000000, -0.0001739100000000 ] - [ -0.0010301700000000, 0.0003389500000000, -0.0001597200000000 ] - [ -0.0068375300000000, -0.0004434600000000, -0.0001898600000000 ] - [ -0.0014546200000000, -0.0001199600000000, -0.0000439700000000 ] - [ -0.0028251800000000, -0.0009032400000000, 0.0000892400000000 ] - [ -0.0023357100000000, -0.0001519900000000, 0.0001161000000000 ] - [ 0.0946028100000000, -0.0721503600000000, -0.0268609700000000 ] - [ 0.0018459800000000, -0.0004190400000000, 0.0003164200000000 ] - [ -0.0022745200000000, 0.0031509100000000, 0.0014682200000000 ] - [ -0.0008871400000000, -0.0017817700000000, 0.0008684300000000 ] - [ -0.0003331600000000, -0.0002569500000000, -0.0001512900000000 ] - [ -0.0000733500000000, -0.0001560900000000, -0.0000433800000000 ] - [ 0.0018528900000000, -0.0014624500000000, 0.0002684900000000 ] - [ 0.0014669200000000, 0.0005382200000000, 0.0001417400000000 ] - [ -0.0022566400000000, 0.0024441000000000, -0.0015838500000000 ] - [ -0.0013733900000000, -0.0041277100000000, -0.0028104400000000 ] - [ 0.0020794100000000, 0.0002434500000000, 0.0000785800000000 ] - [ 0.0009355400000000, 0.0003652800000000, -0.0002560400000000 ] - [ 0.0018906600000000, 0.0014332700000000, -0.0004979900000000 ] - [ 0.0011763400000000, -0.0014454900000000, -0.0001983200000000 ] - [ 0.0010565600000000, 0.0001287000000000, -0.0001147900000000 ] - [ 0.0006264800000000, 0.0002519000000000, -0.0002899400000000 ] - [ -0.0007933700000000, -0.0040240300000000, -0.0003286800000000 ] - [ -0.0010111500000000, 0.0062324400000000, -0.0004509900000000 ] - [ -0.0024732200000000, -0.0011476700000000, -0.0016799500000000 ] - [ -0.0005856400000000, -0.0004570300000000, -0.0000829500000000 ] - [ -0.3403851400000000, 0.0026376900000000, -0.0112495900000000 ] - [ -0.0025150200000000, 0.0000882100000000, -0.0009874700000000 ] - [ 0.0031643600000000, 0.0003580600000000, -0.0010707300000000 ] - [ 0.0031610300000000, 0.0006305500000000, -0.0011969400000000 ] - [ 0.0106454700000000, 0.0003050900000000, 0.0021557400000000 ] - [ 0.0025666100000000, 0.0002028600000000, 0.0011446400000000 ] - [ 0.0066025100000000, 0.0021773500000000, -0.0052132500000000 ] - [ 0.0001294500000000, -0.0011468600000000, -0.0005275000000000 ] - [ 0.0047194100000000, -0.0030078600000000, -0.0096782500000000 ] - [ 0.0001205900000000, 0.0015081600000000, -0.0007735800000000 ] - [ -0.0005097000000000, 0.0065528100000000, 0.0129068700000000 ] - [ -0.0003820900000000, -0.0017693100000000, 0.0004704300000000 ] - [ -0.0037000800000000, 0.0003047300000000, 0.0024213300000000 ] - [ -0.0034961400000000, 0.0002111200000000, 0.0013698000000000 ] - [ 0.0006883800000000, 0.0028267600000000, 0.0007191300000000 ] - [ 0.0006669000000000, -0.0056592300000000, 0.0092974600000000 ] - [ 0.0012542000000000, 0.0034372400000000, 0.0008447400000000 ] - [ 0.0004658000000000, -0.0023458400000000, 0.0006979900000000 ] - [ 0.0548096400000000, -0.0042547100000000, 0.0059165400000000 ] - [ 0.0005484300000000, 0.0004608000000000, 0.0001818900000000 ] - [ -0.0002528700000000, -0.0027139100000000, -0.0001139100000000 ] - [ -0.0012963000000000, 0.0028802900000000, 0.0002160600000000 ] - [ -0.0055868700000000, 0.0091969400000000, 0.0259379000000000 ] - [ -0.0018747300000000, -0.0025267000000000, 0.0005801900000000 ] - [ -0.0077945500000000, -0.0120079500000000, 0.0126347800000000 ] - [ -0.0029414900000000, 0.0031574100000000, 0.0002354300000000 ] - [ 0.0074848400000000, 0.0020811800000000, -0.0064776900000000 ] - [ 0.0017540700000000, -0.0023724100000000, -0.0006752400000000 ] - [ 0.0023114900000000, 0.0019677300000000, -0.0003100200000000 ] - [ 0.0084849200000000, -0.0025153300000000, -0.0030810000000000 ] - [ 0.0563849400000000, -0.0048140000000000, -0.0064395500000000 ] - [ -0.0001145700000000, 0.0001294200000000, -0.0005808600000000 ]- atom: 97 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0094266100000000, 0.0039359400000000, -0.0067856500000000 ] - [ 0.0004324600000000, -0.0006996100000000, 0.0001765600000000 ] - [ 0.0003586800000000, 0.0003665700000000, -0.0001479400000000 ] - [ 0.0007049300000000, -0.0012321300000000, -0.0013876700000000 ] - [ 0.0083309000000000, 0.0067336400000000, 0.0123158400000000 ] - [ -0.0001331500000000, -0.0010291500000000, -0.0003540100000000 ] - [ -0.0005006100000000, -0.0016483000000000, 0.0021570700000000 ] - [ -0.0003429600000000, 0.0007002200000000, 0.0005183800000000 ] - [ 0.0008672700000000, 0.0022189800000000, 0.0033557800000000 ] - [ 0.0001583800000000, -0.0004246600000000, 0.0004301200000000 ] - [ 0.0014111600000000, -0.0074215200000000, 0.0075376500000000 ] - [ 0.0001176500000000, 0.0009270400000000, -0.0001928000000000 ] - [ -0.0002045000000000, -0.0006129800000000, -0.0002966000000000 ] - [ -0.0001542600000000, 0.0012531900000000, -0.0017731900000000 ] - [ 0.0081880700000000, -0.0031070600000000, -0.0049373900000000 ] - [ 0.0002908100000000, 0.0007705400000000, 0.0000073800000000 ] - [ 0.0084454400000000, -0.0065945200000000, -0.0082722400000000 ] - [ 0.0003630700000000, 0.0008165700000000, 0.0002178800000000 ] - [ 0.0002578000000000, 0.0017486300000000, -0.0017899700000000 ] - [ -0.0001817800000000, -0.0001240300000000, 0.0001499400000000 ] - [ 0.0003559600000000, 0.0013904500000000, -0.0001165500000000 ] - [ 0.0052930100000000, -0.0047396500000000, 0.0053431700000000 ] - [ 0.0000270600000000, 0.0015032800000000, 0.0026082600000000 ] - [ -0.0001698300000000, -0.0007054300000000, 0.0002840400000000 ] - [ 0.0001445800000000, 0.0006549500000000, 0.0003509000000000 ] - [ 0.0006443300000000, -0.0015405100000000, 0.0022770400000000 ] - [ 0.0055820000000000, 0.0039885100000000, 0.0063003900000000 ] - [ 0.0003751400000000, -0.0004302700000000, -0.0000490500000000 ] - [ -0.0011023800000000, -0.0012030200000000, -0.0024551100000000 ] - [ -0.0004957000000000, 0.0006490700000000, -0.0002337100000000 ] - [ -0.0023983900000000, -0.0000105600000000, 0.0003941300000000 ] - [ -0.0027010600000000, 0.0008709400000000, 0.0002666300000000 ] - [ 0.0080953800000000, 0.0043790400000000, -0.0072015300000000 ] - [ 0.0003334700000000, -0.0007458100000000, -0.0000011500000000 ] - [ 0.0027337900000000, -0.0003593000000000, -0.0011142700000000 ] - [ 0.0005942600000000, -0.0003890200000000, -0.0000127700000000 ] - [ -0.0013137200000000, 0.0020092100000000, 0.0016196800000000 ] - [ -0.0012429600000000, -0.0033280900000000, 0.0016269100000000 ] - [ -0.0028559900000000, -0.0008654800000000, 0.0058235800000000 ] - [ -0.0006493400000000, -0.0004999700000000, -0.0000047400000000 ] - [ -0.0013430600000000, 0.0004705600000000, 0.0038176500000000 ] - [ -0.0003980600000000, 0.0007790200000000, -0.0000461500000000 ] - [ -0.0017413400000000, -0.0005202800000000, -0.0002088000000000 ] - [ -0.0028084900000000, 0.0051985200000000, 0.0019730400000000 ] - [ 0.0022738400000000, 0.0005234300000000, -0.0024721800000000 ] - [ 0.0007171400000000, 0.0006573300000000, -0.0004434100000000 ] - [ 0.0024634500000000, 0.0029924300000000, -0.0007202200000000 ] - [ 0.0009956500000000, -0.0014771600000000, -0.0006766000000000 ] - [ -0.0017892200000000, 0.0006461700000000, 0.0013170500000000 ] - [ -0.0014830700000000, -0.0000460000000000, 0.0012356200000000 ] - [ -0.0239922600000000, 0.0059118000000000, -0.0105385500000000 ] - [ -0.0016831600000000, 0.0003212000000000, -0.0007105500000000 ] - [ 0.0014411000000000, 0.0005810500000000, -0.0008585900000000 ] - [ 0.0009495100000000, -0.0000431100000000, -0.0007290100000000 ] - [ 0.0015251700000000, 0.0004669200000000, 0.0010041800000000 ] - [ 0.0042594300000000, 0.0001079100000000, 0.0017104100000000 ] - [ 0.0047118400000000, -0.0007975300000000, 0.0014071700000000 ] - [ 0.0012536600000000, -0.0006387000000000, 0.0008923500000000 ] - [ 0.0016292200000000, 0.0001800700000000, -0.0007054300000000 ] - [ 0.0020738500000000, -0.0001092300000000, -0.0007037500000000 ] - [ -0.0257390600000000, -0.0026350000000000, -0.0017463300000000 ] - [ -0.0014802200000000, -0.0002204300000000, -0.0007536100000000 ] - [ -0.0024167600000000, -0.0010281000000000, 0.0022516500000000 ] - [ -0.0019944500000000, -0.0003288900000000, 0.0010590900000000 ] - [ -0.0024559900000000, 0.0006288200000000, 0.0009293000000000 ] - [ -0.0021861600000000, -0.0005524900000000, 0.0006631600000000 ] - [ -0.1305479300000000, -0.0777208400000000, -0.0088107500000000 ] - [ -0.0010228500000000, -0.0005159100000000, -0.0001849700000000 ] - [ 0.0015697500000000, -0.0007215300000000, -0.0003385100000000 ] - [ 0.0012651200000000, 0.0002789700000000, -0.0003197200000000 ] - [ 0.0080874700000000, -0.0004464300000000, 0.0003590500000000 ] - [ 0.0019697900000000, -0.0000243700000000, 0.0003555300000000 ] - [ 0.0071992700000000, 0.0007805200000000, 0.0003654700000000 ] - [ 0.0018207300000000, 0.0004621900000000, 0.0002258700000000 ] - [ 0.0024445600000000, 0.0005436700000000, 0.0000883300000000 ] - [ 0.0019640300000000, -0.0001956800000000, 0.0000658500000000 ] - [ -0.0978446900000000, 0.0760564100000000, 0.0285912300000000 ] - [ -0.0014751900000000, 0.0000651900000000, -0.0001372300000000 ] - [ 0.0023113300000000, -0.0033480900000000, -0.0014562400000000 ] - [ 0.0009252700000000, 0.0015745200000000, -0.0008693400000000 ] - [ 0.0008739600000000, -0.0001319500000000, -0.0002486900000000 ] - [ 0.0006122200000000, -0.0002340800000000, -0.0003564400000000 ] - [ -0.0021961000000000, 0.0006524000000000, -0.0006216400000000 ] - [ -0.0018139200000000, -0.0013423100000000, -0.0004962400000000 ] - [ 0.0019258700000000, -0.0016500700000000, 0.0012354100000000 ] - [ 0.0010256800000000, 0.0049245900000000, 0.0024451200000000 ] - [ -0.0017340300000000, 0.0005664700000000, -0.0004377100000000 ] - [ -0.0005868400000000, 0.0004373400000000, -0.0000985500000000 ] - [ -0.0024351700000000, -0.0018393300000000, 0.0001068900000000 ] - [ -0.0017068400000000, 0.0010569100000000, -0.0001995700000000 ] - [ -0.0005256600000000, 0.0002625400000000, -0.0002834300000000 ] - [ -0.0000916300000000, 0.0001343100000000, -0.0001103800000000 ] - [ 0.0002397700000000, 0.0043973900000000, -0.0000670000000000 ] - [ 0.0004812400000000, -0.0058334500000000, 0.0000562400000000 ] - [ 0.0028060500000000, 0.0003444300000000, 0.0013253900000000 ] - [ 0.0009328800000000, -0.0003464200000000, -0.0002718200000000 ] - [ 0.3372292500000000, -0.0135245800000000, 0.0085595700000000 ] - [ 0.0026939800000000, -0.0000192500000000, 0.0011828000000000 ] - [ -0.0033432300000000, -0.0002840300000000, 0.0012614400000000 ] - [ -0.0033417100000000, -0.0005525500000000, 0.0013846100000000 ] - [ -0.0104754500000000, -0.0003547900000000, -0.0019684800000000 ] - [ -0.0023896600000000, -0.0002861900000000, -0.0009485500000000 ] - [ -0.0068969300000000, -0.0020120200000000, 0.0051232200000000 ] - [ -0.0003914400000000, 0.0013112200000000, 0.0004012800000000 ] - [ -0.0044292900000000, 0.0028253300000000, 0.0094683200000000 ] - [ 0.0001392200000000, -0.0016801000000000, 0.0006514700000000 ] - [ 0.0002422800000000, -0.0067218600000000, -0.0130283000000000 ] - [ 0.0001079600000000, 0.0016012800000000, -0.0005982600000000 ] - [ 0.0035233500000000, -0.0003575400000000, -0.0022397400000000 ] - [ 0.0033196000000000, -0.0002860400000000, -0.0011857800000000 ] - [ -0.0004091800000000, -0.0026669400000000, -0.0008505900000000 ] - [ -0.0003886700000000, 0.0058491700000000, -0.0094363200000000 ] - [ -0.0015235900000000, -0.0035869400000000, -0.0009085500000000 ] - [ -0.0007435700000000, 0.0022207500000000, -0.0007585800000000 ] - [ -0.0540792500000000, 0.0045932600000000, -0.0058611000000000 ] - [ -0.0002741900000000, -0.0003410100000000, -0.0002341000000000 ] - [ -0.0000424200000000, 0.0028272100000000, 0.0000431800000000 ] - [ 0.0010102400000000, -0.0027556400000000, -0.0002829400000000 ] - [ 0.0057486700000000, -0.0090899500000000, -0.0262980600000000 ] - [ 0.0018274200000000, 0.0026790700000000, -0.0007444100000000 ] - [ 0.0077048700000000, 0.0118474000000000, -0.0127743400000000 ] - [ 0.0029964100000000, -0.0033147800000000, -0.0004017200000000 ] - [ -0.0075427300000000, -0.0022151700000000, 0.0063005000000000 ] - [ -0.0018158400000000, 0.0021968000000000, 0.0005089000000000 ] - [ -0.0022532700000000, -0.0018281100000000, 0.0001470500000000 ] - [ -0.0084164900000000, 0.0026867800000000, 0.0029180200000000 ] - [ -0.0565370800000000, 0.0050431500000000, 0.0065524400000000 ] - [ 0.0004084000000000, -0.0002653600000000, 0.0005223500000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0055773600000000, -0.0013133300000000, 0.0047222000000000 ] - [ 0.0006388900000000, -0.0005973500000000, -0.0003565800000000 ] - [ -0.0007048600000000, -0.0003391900000000, -0.0006970400000000 ] - [ -0.0000185500000000, -0.0005257600000000, -0.0011951800000000 ] - [ -0.0059621300000000, 0.0101435000000000, 0.0062537600000000 ] - [ 0.0000723400000000, -0.0016799400000000, -0.0004666300000000 ] - [ 0.0016912900000000, 0.0009085200000000, 0.0010363600000000 ] - [ -0.0001673600000000, -0.0008982700000000, -0.0001284500000000 ] - [ -0.0012793900000000, 0.0009027900000000, -0.0000933000000000 ] - [ -0.0000186300000000, -0.0008753900000000, -0.0000011000000000 ] - [ 0.0098382400000000, 0.0087572400000000, -0.0048821300000000 ] - [ -0.0001379400000000, -0.0018270700000000, 0.0002432500000000 ] - [ 0.0008301000000000, -0.0006705600000000, 0.0006776500000000 ] - [ -0.0000203100000000, -0.0001388800000000, 0.0010022300000000 ] - [ 0.0072591700000000, -0.0017046100000000, -0.0046081000000000 ] - [ -0.0007890000000000, -0.0005299600000000, 0.0002249700000000 ] - [ 0.0016731500000000, 0.0063314500000000, 0.0023301500000000 ] - [ 0.0000616200000000, -0.0016637800000000, -0.0002126900000000 ] - [ -0.0011179800000000, 0.0013069700000000, -0.0014378100000000 ] - [ -0.0002651500000000, -0.0004421900000000, 0.0002798600000000 ] - [ -0.0004602800000000, -0.0009383000000000, 0.0008067100000000 ] - [ 0.0039023900000000, -0.0017586700000000, 0.0055455700000000 ] - [ 0.0005216300000000, 0.0005235100000000, -0.0002709700000000 ] - [ 0.0010529100000000, -0.0011429900000000, 0.0012891200000000 ] - [ -0.0011853500000000, -0.0005943200000000, -0.0001466200000000 ] - [ -0.0005634900000000, 0.0000507100000000, 0.0010517400000000 ] - [ -0.0025947800000000, -0.0007267700000000, -0.0051415100000000 ] - [ 0.0015997300000000, -0.0019130000000000, -0.0011217300000000 ] - [ 0.0012134900000000, 0.0003993800000000, 0.0005545400000000 ] - [ -0.0003041200000000, -0.0004979100000000, 0.0000550800000000 ] - [ 0.0012041100000000, -0.0009331200000000, 0.0011051900000000 ] - [ -0.0001603100000000, 0.0002376200000000, 0.0002515800000000 ] - [ 0.0021742000000000, 0.0067404500000000, -0.0037082800000000 ] - [ 0.0001221000000000, -0.0013611300000000, 0.0004062100000000 ] - [ 0.0000088400000000, 0.0019845300000000, -0.0005965200000000 ] - [ 0.0001559200000000, -0.0011830200000000, 0.0000307800000000 ] - [ -0.0029452800000000, -0.0019511400000000, -0.0012397800000000 ] - [ 0.0005282100000000, -0.0018373400000000, 0.0017087500000000 ] - [ 0.0041168800000000, 0.0128621500000000, -0.0000085700000000 ] - [ -0.0004962400000000, -0.0039449400000000, -0.0000599300000000 ] - [ -0.0033611500000000, 0.0073984400000000, 0.0006184800000000 ] - [ 0.0002160300000000, -0.0022435000000000, -0.0002327200000000 ] - [ 0.0052402700000000, -0.0086253800000000, 0.0036975200000000 ] - [ -0.0010338200000000, -0.0017031400000000, -0.0029218200000000 ] - [ 0.0007993700000000, 0.0022743900000000, 0.0000930500000000 ] - [ 0.0000171100000000, -0.0013561300000000, -0.0001354500000000 ] - [ 0.0004377700000000, 0.0013838300000000, -0.0004905300000000 ] - [ 0.0000851700000000, -0.0020606600000000, -0.0006091400000000 ] - [ -0.0013735400000000, -0.0001909100000000, -0.0006736300000000 ] - [ -0.0003625800000000, -0.0009693400000000, 0.0002142200000000 ] - [ 0.0008241200000000, 0.1224710200000000, -0.0661938400000000 ] - [ -0.0001302500000000, -0.0024981100000000, 0.0000413500000000 ] - [ -0.0001921400000000, 0.0002635000000000, 0.0002729200000000 ] - [ -0.0001022200000000, -0.0002939200000000, 0.0003940700000000 ] - [ 0.0003618700000000, -0.0001523000000000, 0.0002389500000000 ] - [ 0.0010416000000000, 0.0004238500000000, 0.0005542000000000 ] - [ -0.0006036200000000, 0.0004371000000000, 0.0003880800000000 ] - [ 0.0000250300000000, -0.0004944700000000, 0.0002329500000000 ] - [ 0.0004601100000000, 0.0000932800000000, -0.0002436500000000 ] - [ 0.0002193000000000, 0.0001410200000000, -0.0002706800000000 ] - [ -0.0006296000000000, 0.0361011600000000, 0.0493717400000000 ] - [ -0.0001859100000000, -0.0011545000000000, -0.0001985800000000 ] - [ -0.0017951300000000, -0.0022063700000000, 0.0099103300000000 ] - [ -0.0000539100000000, -0.0012099200000000, -0.0002930900000000 ] - [ -0.0030858100000000, -0.0008669900000000, 0.0008518800000000 ] - [ -0.0008016200000000, 0.0001129900000000, 0.0000660700000000 ] - [ 0.0731143100000000, 0.0792976400000000, 0.0038074200000000 ] - [ 0.0006138900000000, -0.0023475800000000, -0.0000910600000000 ] - [ 0.0005941600000000, -0.0001412000000000, 0.0002327500000000 ] - [ -0.0003067000000000, -0.0004183200000000, 0.0001701800000000 ] - [ 0.0003505100000000, 0.0017241300000000, 0.0004971700000000 ] - [ 0.0005056000000000, -0.0005336400000000, 0.0001926900000000 ] - [ 0.0012341800000000, 0.0022353700000000, -0.0005091600000000 ] - [ 0.0003974100000000, -0.0005344600000000, 0.0000169400000000 ] - [ -0.0002493100000000, 0.0000195000000000, -0.0000348400000000 ] - [ -0.0000479300000000, -0.0005479300000000, -0.0000273800000000 ] - [ -0.0678283600000000, 0.0936499400000000, 0.0282608600000000 ] - [ -0.0003517500000000, -0.0023525600000000, -0.0001574500000000 ] - [ 0.0001568400000000, 0.0003446900000000, 0.0002630000000000 ] - [ 0.0000661400000000, -0.0016438300000000, 0.0005238400000000 ] - [ 0.0008910500000000, -0.0012824400000000, 0.0001976300000000 ] - [ 0.0004840300000000, 0.0006677400000000, -0.0001910000000000 ] - [ -0.0010111200000000, -0.0004491700000000, -0.0001039100000000 ] - [ -0.0000310800000000, 0.0003489200000000, -0.0000716300000000 ] - [ 0.0044807400000000, 0.0043932200000000, -0.0027788900000000 ] - [ -0.0012023800000000, 0.0040414600000000, 0.0018174600000000 ] - [ 0.0003492000000000, -0.0002642200000000, -0.0003880800000000 ] - [ 0.0001956400000000, 0.0009505900000000, -0.0001437000000000 ] - [ 0.0002524400000000, -0.0005454600000000, -0.0004140400000000 ] - [ -0.0007516900000000, 0.0008764500000000, -0.0002171200000000 ] - [ -0.0001367200000000, -0.0005833000000000, -0.0002995500000000 ] - [ 0.0001089200000000, 0.0008627600000000, -0.0003116600000000 ] - [ -0.0060895600000000, 0.0061441400000000, 0.0010427300000000 ] - [ 0.0032066500000000, 0.0052680400000000, 0.0000399800000000 ] - [ -0.0008628900000000, -0.0030825200000000, -0.0009676900000000 ] - [ 0.0001419800000000, 0.0005495500000000, -0.0002550200000000 ] - [ 0.0082401900000000, -0.3368968200000000, -0.0014118600000000 ] - [ 0.0001525600000000, 0.0039384200000000, 0.0002123100000000 ] - [ -0.0006845000000000, 0.0003059700000000, 0.0002058900000000 ] - [ -0.0004117300000000, 0.0003052200000000, 0.0004035200000000 ] - [ -0.0002340100000000, -0.0021265300000000, 0.0003446800000000 ] - [ -0.0001511400000000, 0.0006116000000000, -0.0000441400000000 ] - [ -0.0005719500000000, -0.0016595800000000, 0.0019434000000000 ] - [ 0.0001117000000000, 0.0022579700000000, 0.0000780300000000 ] - [ -0.0017095900000000, -0.0013359300000000, -0.0005214100000000 ] - [ 0.0000399800000000, 0.0019233000000000, -0.0002624100000000 ] - [ -0.0021718500000000, -0.0032622500000000, 0.0094234700000000 ] - [ -0.0033895000000000, 0.0061135000000000, -0.0015825700000000 ] - [ 0.0002328100000000, 0.0028549900000000, -0.0041104500000000 ] - [ 0.0001485600000000, 0.0004549600000000, 0.0002804200000000 ] - [ 0.0023029900000000, 0.0033617400000000, -0.0000033500000000 ] - [ 0.0004485700000000, -0.0012545100000000, -0.0082976900000000 ] - [ 0.0025889400000000, -0.0011978000000000, 0.0011286200000000 ] - [ 0.0001595500000000, 0.0013771800000000, 0.0001496300000000 ] - [ 0.0175409500000000, -0.0200896000000000, 0.0044509600000000 ] - [ -0.0004486000000000, 0.0036421600000000, 0.0010515900000000 ] - [ -0.0030174500000000, 0.0003059000000000, -0.0018296800000000 ] - [ -0.0002561100000000, 0.0007485300000000, -0.0006025100000000 ] - [ 0.0171110100000000, -0.0021915400000000, 0.0096009700000000 ] - [ -0.0000291500000000, 0.0046508300000000, -0.0002581800000000 ] - [ -0.0264438100000000, -0.0040942700000000, -0.0333250800000000 ] - [ 0.0005489600000000, 0.0054622200000000, 0.0007707200000000 ] - [ 0.0018082200000000, -0.0011876000000000, -0.0041759500000000 ] - [ -0.0011533900000000, 0.0008890500000000, -0.0003184300000000 ] - [ 0.0006011500000000, 0.0000765800000000, 0.0003403500000000 ] - [ -0.0039042800000000, 0.0000673700000000, 0.0027544700000000 ] - [ -0.0267470200000000, -0.0179172800000000, -0.0039414800000000 ] - [ 0.0011006000000000, 0.0029838700000000, -0.0004398000000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0057292200000000, 0.0015358100000000, -0.0048580100000000 ] - [ -0.0005155300000000, 0.0008008900000000, 0.0002622700000000 ] - [ 0.0005748900000000, 0.0001310400000000, 0.0005969300000000 ] - [ -0.0001079600000000, 0.0003228900000000, 0.0011044200000000 ] - [ 0.0060879500000000, -0.0103969700000000, -0.0063327300000000 ] - [ 0.0000593100000000, 0.0014705400000000, 0.0003684300000000 ] - [ -0.0018208000000000, -0.0007041600000000, -0.0011426900000000 ] - [ 0.0000360000000000, 0.0011014400000000, 0.0000253000000000 ] - [ 0.0010504800000000, -0.0007415500000000, 0.0000833000000000 ] - [ -0.0002052300000000, 0.0010424100000000, -0.0000086400000000 ] - [ -0.0096091900000000, -0.0089432600000000, 0.0048536300000000 ] - [ 0.0003615100000000, 0.0016552800000000, -0.0002574600000000 ] - [ -0.0010594400000000, 0.0004994000000000, -0.0006885700000000 ] - [ -0.0002111200000000, -0.0000240000000000, -0.0010200300000000 ] - [ -0.0070661800000000, 0.0018870500000000, 0.0046251500000000 ] - [ 0.0010252300000000, 0.0006947500000000, -0.0002433700000000 ] - [ -0.0013285600000000, -0.0068228400000000, -0.0019158100000000 ] - [ 0.0003028900000000, 0.0012053600000000, 0.0006248200000000 ] - [ 0.0007469800000000, -0.0008551200000000, 0.0018501500000000 ] - [ -0.0000984200000000, 0.0009001500000000, 0.0001329100000000 ] - [ 0.0008326700000000, 0.0013928800000000, -0.0003945600000000 ] - [ -0.0035431900000000, 0.0022412000000000, -0.0051706400000000 ] - [ -0.0008943100000000, -0.0009739200000000, 0.0006828900000000 ] - [ -0.0014165500000000, 0.0006815900000000, -0.0008752900000000 ] - [ 0.0006755400000000, 0.0003966400000000, 0.0001432000000000 ] - [ 0.0000495200000000, -0.0002385500000000, -0.0010653500000000 ] - [ 0.0031287200000000, 0.0009455700000000, 0.0051766400000000 ] - [ -0.0010832700000000, 0.0020980300000000, 0.0011036000000000 ] - [ -0.0017304300000000, -0.0002090100000000, -0.0005641900000000 ] - [ -0.0002097100000000, 0.0006916800000000, -0.0000617900000000 ] - [ -0.0015640900000000, 0.0012755300000000, -0.0009241300000000 ] - [ -0.0002209300000000, 0.0001286500000000, -0.0000789700000000 ] - [ -0.0016395800000000, -0.0069600500000000, 0.0037054000000000 ] - [ 0.0004027700000000, 0.0011658700000000, -0.0004208700000000 ] - [ -0.0000475300000000, -0.0017722000000000, 0.0005897200000000 ] - [ -0.0001980100000000, 0.0014028500000000, -0.0000386600000000 ] - [ 0.0029902500000000, 0.0021402600000000, 0.0012539100000000 ] - [ -0.0004729800000000, 0.0020551700000000, -0.0017044900000000 ] - [ -0.0041685000000000, -0.0130569600000000, 0.0000039800000000 ] - [ 0.0004532300000000, 0.0037094700000000, 0.0000499100000000 ] - [ 0.0036118400000000, -0.0074300900000000, -0.0010416600000000 ] - [ 0.0000504500000000, 0.0021702500000000, -0.0001849200000000 ] - [ -0.0054794500000000, 0.0086320900000000, -0.0041201600000000 ] - [ 0.0007467700000000, 0.0017667400000000, 0.0024748200000000 ] - [ -0.0005386000000000, -0.0022085100000000, -0.0005100700000000 ] - [ 0.0002442400000000, 0.0014223500000000, -0.0002811200000000 ] - [ -0.0006988400000000, -0.0014606400000000, 0.0000740600000000 ] - [ -0.0003484400000000, 0.0020009700000000, 0.0001907600000000 ] - [ 0.0008631400000000, 0.0000953300000000, 0.0010837900000000 ] - [ -0.0001452300000000, 0.0008803600000000, 0.0002315400000000 ] - [ 0.0003148700000000, -0.1274100900000000, 0.0715330500000000 ] - [ 0.0006377200000000, 0.0025398200000000, 0.0004132600000000 ] - [ -0.0003189500000000, -0.0001979500000000, 0.0001825200000000 ] - [ -0.0004061400000000, 0.0003730500000000, 0.0000533500000000 ] - [ 0.0001460800000000, 0.0000749200000000, 0.0002085200000000 ] - [ -0.0005359600000000, -0.0005010300000000, -0.0001052300000000 ] - [ 0.0004473300000000, -0.0008971200000000, -0.0001418100000000 ] - [ -0.0001839300000000, 0.0000351500000000, 0.0000179500000000 ] - [ -0.0003054800000000, 0.0003624700000000, 0.0004967200000000 ] - [ -0.0000648300000000, 0.0003114300000000, 0.0005109300000000 ] - [ 0.0004675400000000, -0.0352917800000000, -0.0496736600000000 ] - [ 0.0000328300000000, 0.0015987900000000, 0.0004283400000000 ] - [ 0.0019293100000000, 0.0017408100000000, -0.0096500300000000 ] - [ 0.0002089500000000, 0.0007467700000000, 0.0005460000000000 ] - [ 0.0021442600000000, 0.0011817800000000, -0.0006494400000000 ] - [ -0.0001094700000000, 0.0002261700000000, 0.0001308500000000 ] - [ -0.0694286200000000, -0.0788907600000000, -0.0033322500000000 ] - [ 0.0003282000000000, 0.0020372300000000, 0.0002877700000000 ] - [ -0.0015180800000000, -0.0001945000000000, -0.0000354800000000 ] - [ -0.0006356500000000, 0.0000984600000000, 0.0000285900000000 ] - [ 0.0005853300000000, -0.0013968300000000, -0.0002999000000000 ] - [ 0.0004252500000000, 0.0008618700000000, 0.0000035000000000 ] - [ -0.0008748300000000, -0.0018888300000000, 0.0006856100000000 ] - [ -0.0000303700000000, 0.0008895200000000, 0.0001578200000000 ] - [ -0.0001248500000000, -0.0003830700000000, 0.0002100200000000 ] - [ -0.0003151400000000, 0.0002023300000000, 0.0002075900000000 ] - [ 0.0646183300000000, -0.0918997300000000, -0.0269140400000000 ] - [ 0.0007139500000000, 0.0020197400000000, 0.0003390400000000 ] - [ -0.0001113500000000, -0.0005699600000000, -0.0002677800000000 ] - [ -0.0000351200000000, 0.0014357500000000, -0.0005348300000000 ] - [ -0.0003644800000000, 0.0008821700000000, -0.0005938900000000 ] - [ 0.0000392400000000, -0.0010631900000000, -0.0002051200000000 ] - [ 0.0006616900000000, -0.0003586000000000, -0.0002590200000000 ] - [ -0.0003179600000000, -0.0011612800000000, -0.0002919000000000 ] - [ -0.0048505400000000, -0.0036082000000000, 0.0024550900000000 ] - [ 0.0008253800000000, -0.0032220100000000, -0.0021645300000000 ] - [ 0.0000031800000000, 0.0010731400000000, 0.0000252700000000 ] - [ 0.0001557600000000, -0.0001438300000000, -0.0002196500000000 ] - [ -0.0007784100000000, 0.0001504100000000, 0.0000181600000000 ] - [ 0.0002267600000000, -0.0012778600000000, -0.0001784000000000 ] - [ 0.0006617900000000, 0.0009760900000000, -0.0000972000000000 ] - [ 0.0004178400000000, -0.0004691800000000, -0.0000866500000000 ] - [ 0.0056291700000000, -0.0058103300000000, -0.0014345300000000 ] - [ -0.0036719100000000, -0.0048310200000000, -0.0004358700000000 ] - [ 0.0012115100000000, 0.0022643200000000, 0.0006089600000000 ] - [ 0.0002114000000000, -0.0013568600000000, -0.0001105900000000 ] - [ -0.0079659500000000, 0.3390054300000000, -0.0043377200000000 ] - [ 0.0000322900000000, -0.0038517900000000, -0.0000227000000000 ] - [ 0.0005055300000000, -0.0002453300000000, -0.0000185500000000 ] - [ 0.0002377700000000, -0.0002501000000000, -0.0002167300000000 ] - [ 0.0004123700000000, 0.0020656200000000, -0.0001556100000000 ] - [ 0.0003275800000000, -0.0006756800000000, 0.0002323300000000 ] - [ 0.0003062500000000, 0.0018367000000000, -0.0020747100000000 ] - [ -0.0003807900000000, -0.0020955300000000, -0.0002087700000000 ] - [ 0.0019777700000000, 0.0011670100000000, 0.0003636500000000 ] - [ 0.0002309600000000, -0.0021039400000000, 0.0001241400000000 ] - [ 0.0019494500000000, 0.0030562500000000, -0.0095656700000000 ] - [ 0.0031284800000000, -0.0062779400000000, 0.0014462200000000 ] - [ -0.0004123300000000, -0.0028920300000000, 0.0042953500000000 ] - [ -0.0003304800000000, -0.0005305400000000, -0.0000877100000000 ] - [ -0.0020508700000000, -0.0031992300000000, -0.0001404700000000 ] - [ -0.0002101600000000, 0.0013985400000000, 0.0081512800000000 ] - [ -0.0028669900000000, 0.0010753900000000, -0.0011905600000000 ] - [ -0.0004522100000000, -0.0015169200000000, -0.0002123700000000 ] - [ -0.0172852500000000, 0.0202668300000000, -0.0045157100000000 ] - [ 0.0007476100000000, -0.0035110900000000, -0.0011073200000000 ] - [ 0.0027265200000000, -0.0001762200000000, 0.0017663500000000 ] - [ -0.0000201800000000, -0.0006290400000000, 0.0005490400000000 ] - [ -0.0171240900000000, 0.0024295300000000, -0.0097929100000000 ] - [ -0.0000324400000000, -0.0044849700000000, 0.0000820800000000 ] - [ 0.0265030900000000, 0.0038971700000000, 0.0332781500000000 ] - [ -0.0004893500000000, -0.0055982800000000, -0.0009163700000000 ] - [ -0.0018604700000000, 0.0010273600000000, 0.0040222400000000 ] - [ 0.0011027700000000, -0.0010457300000000, 0.0001458900000000 ] - [ -0.0005514300000000, 0.0000843400000000, -0.0004996500000000 ] - [ 0.0039672400000000, 0.0000859200000000, -0.0029271500000000 ] - [ 0.0270460200000000, 0.0178017500000000, 0.0038927700000000 ] - [ -0.0008318500000000, -0.0031142700000000, 0.0003867100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0021257000000000, -0.0005240600000000, 0.0029193500000000 ] - [ -0.0002749200000000, -0.0001126300000000, 0.0007174100000000 ] - [ -0.0004958100000000, -0.0002256800000000, -0.0010238500000000 ] - [ -0.0004441900000000, -0.0004090200000000, -0.0012079400000000 ] - [ -0.0125853100000000, 0.0039984600000000, 0.0117616900000000 ] - [ -0.0000776000000000, 0.0001265400000000, 0.0010864400000000 ] - [ -0.0015746700000000, 0.0022060700000000, -0.0046586800000000 ] - [ -0.0001552300000000, 0.0000427100000000, -0.0011903600000000 ] - [ -0.0028141300000000, -0.0014110000000000, -0.0028086700000000 ] - [ -0.0006041500000000, 0.0000935000000000, -0.0006115200000000 ] - [ -0.0084056000000000, -0.0009962300000000, 0.0018033600000000 ] - [ -0.0003942700000000, -0.0005687200000000, 0.0006150400000000 ] - [ 0.0001449800000000, -0.0006378400000000, -0.0003345000000000 ] - [ 0.0008007100000000, 0.0006897900000000, -0.0008915700000000 ] - [ 0.0015697300000000, -0.0006648600000000, -0.0003291000000000 ] - [ 0.0003815100000000, 0.0004169600000000, 0.0004679800000000 ] - [ 0.0026921400000000, 0.0008137600000000, 0.0042568000000000 ] - [ 0.0000842800000000, -0.0001811500000000, 0.0007374200000000 ] - [ -0.0002751300000000, 0.0008334900000000, -0.0021096500000000 ] - [ -0.0003224100000000, 0.0002959400000000, -0.0003721600000000 ] - [ -0.0008291700000000, -0.0016155600000000, 0.0023813600000000 ] - [ 0.0015170600000000, 0.0001247000000000, 0.0050390700000000 ] - [ -0.0018752100000000, -0.0026387100000000, -0.0029432700000000 ] - [ -0.0010212300000000, 0.0002454500000000, -0.0015114900000000 ] - [ -0.0017082800000000, -0.0010604800000000, -0.0012597100000000 ] - [ -0.0023535300000000, 0.0018243900000000, -0.0011663800000000 ] - [ -0.0002325900000000, -0.0009048500000000, 0.0020465400000000 ] - [ -0.0006565900000000, 0.0011554400000000, 0.0008213500000000 ] - [ 0.0016059500000000, -0.0013501600000000, -0.0020737200000000 ] - [ -0.0000883500000000, 0.0002466200000000, -0.0001865000000000 ] - [ 0.0012269400000000, -0.0001693500000000, -0.0023297100000000 ] - [ 0.0009420700000000, 0.0004931600000000, -0.0013368200000000 ] - [ 0.0042747200000000, 0.0001645600000000, 0.0003057500000000 ] - [ 0.0003761700000000, -0.0002224700000000, 0.0001534700000000 ] - [ 0.0003564200000000, -0.0000425000000000, -0.0004280500000000 ] - [ -0.0001455700000000, 0.0000449400000000, -0.0001291300000000 ] - [ -0.0069452300000000, -0.0103775300000000, -0.0018016700000000 ] - [ -0.0001969200000000, 0.0032367300000000, 0.0003213300000000 ] - [ -0.0075281100000000, -0.0049729700000000, -0.0075336400000000 ] - [ 0.0002518700000000, 0.0015708600000000, -0.0001604900000000 ] - [ -0.0090247300000000, 0.0095748600000000, -0.0050792400000000 ] - [ 0.0003811500000000, -0.0031880200000000, -0.0004223700000000 ] - [ -0.0032343000000000, 0.0060833700000000, -0.0037208500000000 ] - [ -0.0005605000000000, -0.0038245700000000, -0.0004774800000000 ] - [ 0.0004838300000000, 0.0007557500000000, -0.0000644500000000 ] - [ 0.0000033300000000, -0.0002061000000000, -0.0001059600000000 ] - [ 0.0002343300000000, 0.0008242900000000, -0.0004849100000000 ] - [ -0.0002135100000000, -0.0004273500000000, -0.0003974300000000 ] - [ 0.0007983800000000, -0.0044815500000000, -0.0125434900000000 ] - [ 0.0004993000000000, -0.0003507900000000, -0.0008568500000000 ] - [ 0.0059448000000000, -0.0770974600000000, 0.0764215100000000 ] - [ 0.0008762500000000, -0.0007319700000000, 0.0012494800000000 ] - [ -0.0004672000000000, 0.0001908800000000, -0.0000311200000000 ] - [ -0.0005931100000000, -0.0000260800000000, 0.0000581400000000 ] - [ -0.0000435400000000, 0.0001051600000000, 0.0004616200000000 ] - [ -0.0000682100000000, 0.0001758100000000, 0.0004971000000000 ] - [ -0.0008399800000000, -0.0000757700000000, 0.0005041100000000 ] - [ -0.0004827200000000, -0.0003660900000000, 0.0003123000000000 ] - [ -0.0003164400000000, 0.0002472300000000, -0.0002973000000000 ] - [ -0.0003331000000000, 0.0000853100000000, -0.0001278600000000 ] - [ -0.0049090400000000, 0.0472302400000000, 0.1532745600000000 ] - [ 0.0007886400000000, 0.0005817700000000, 0.0014430800000000 ] - [ 0.0026973200000000, 0.0022971500000000, -0.0097479900000000 ] - [ 0.0009890700000000, -0.0001961600000000, -0.0014143400000000 ] - [ 0.0002987500000000, -0.0006581800000000, -0.0025716000000000 ] - [ 0.0000688900000000, 0.0008574100000000, -0.0011861700000000 ] - [ 0.0125732100000000, 0.0051301000000000, 0.0167741900000000 ] - [ 0.0008970300000000, 0.0002127900000000, 0.0009431000000000 ] - [ -0.0010595500000000, -0.0001397100000000, -0.0007562700000000 ] - [ -0.0011438500000000, -0.0002874100000000, -0.0003321700000000 ] - [ -0.0017095100000000, 0.0010753900000000, 0.0016552200000000 ] - [ -0.0001767500000000, -0.0000021800000000, 0.0004282900000000 ] - [ -0.0015166800000000, -0.0001485900000000, 0.0012708900000000 ] - [ -0.0005696700000000, 0.0000523100000000, 0.0004497900000000 ] - [ -0.0013760600000000, -0.0004948600000000, -0.0006263100000000 ] - [ -0.0010297400000000, -0.0002216400000000, -0.0003764400000000 ] - [ -0.0230513900000000, 0.0272887400000000, 0.0285825100000000 ] - [ 0.0012423100000000, 0.0000884800000000, 0.0009950200000000 ] - [ 0.0002262700000000, -0.0005705100000000, 0.0001036900000000 ] - [ -0.0000790500000000, -0.0002938000000000, 0.0002748500000000 ] - [ 0.0003418400000000, -0.0004367300000000, 0.0024019800000000 ] - [ 0.0001263800000000, -0.0000486100000000, 0.0003766100000000 ] - [ 0.0009043600000000, -0.0009819700000000, -0.0002876100000000 ] - [ 0.0003037300000000, -0.0001680500000000, -0.0002053400000000 ] - [ -0.0036265400000000, -0.0031429300000000, 0.0005449300000000 ] - [ -0.0011771200000000, 0.0019996100000000, 0.0000356200000000 ] - [ 0.0011239100000000, 0.0001498200000000, -0.0000093800000000 ] - [ 0.0006096500000000, 0.0005797300000000, -0.0001568400000000 ] - [ 0.0005127800000000, 0.0002297900000000, -0.0012351400000000 ] - [ -0.0001448300000000, -0.0000719000000000, -0.0005054300000000 ] - [ 0.0006760900000000, 0.0001081600000000, 0.0007216200000000 ] - [ 0.0004881700000000, 0.0001972400000000, 0.0000832400000000 ] - [ 0.0002832400000000, -0.0002691700000000, -0.0047203300000000 ] - [ -0.0006162400000000, 0.0003173100000000, -0.0017687100000000 ] - [ -0.0039130500000000, -0.0026129300000000, 0.0072741500000000 ] - [ -0.0002594600000000, -0.0001391000000000, 0.0000495600000000 ] - [ -0.0094495200000000, 0.0057181300000000, -0.3144462500000000 ] - [ -0.0009956200000000, 0.0001539800000000, -0.0020680800000000 ] - [ 0.0012044000000000, 0.0003446400000000, 0.0007378700000000 ] - [ 0.0010820700000000, 0.0001469100000000, 0.0007393900000000 ] - [ 0.0021447700000000, -0.0002832300000000, -0.0002227200000000 ] - [ 0.0011336000000000, 0.0001021200000000, -0.0003903700000000 ] - [ -0.0017878800000000, -0.0008184900000000, 0.0024786900000000 ] - [ 0.0000787700000000, 0.0003542100000000, 0.0003746900000000 ] - [ -0.0026105900000000, 0.0002572000000000, -0.0001548600000000 ] - [ 0.0001154600000000, -0.0000080200000000, -0.0004626800000000 ] - [ 0.0085770600000000, 0.0089228600000000, 0.0008311400000000 ] - [ 0.0022761900000000, -0.0040686600000000, 0.0013651100000000 ] - [ -0.0024189300000000, 0.0041697600000000, 0.0118959700000000 ] - [ -0.0013671000000000, -0.0002137600000000, 0.0026033300000000 ] - [ 0.0046542500000000, 0.0056282900000000, 0.0000192500000000 ] - [ 0.0072093400000000, -0.0082619100000000, -0.0048322500000000 ] - [ 0.0014129200000000, 0.0009545900000000, 0.0048855600000000 ] - [ 0.0005503300000000, -0.0007560400000000, 0.0026341300000000 ] - [ 0.0064181500000000, 0.0015519000000000, -0.0095215900000000 ] - [ 0.0007231000000000, -0.0001701000000000, -0.0019852400000000 ] - [ -0.0006483500000000, 0.0001949900000000, 0.0056437900000000 ] - [ -0.0010168100000000, 0.0006568400000000, 0.0035083800000000 ] - [ 0.0420851200000000, 0.0143894400000000, 0.0333952500000000 ] - [ -0.0007113500000000, -0.0003389600000000, -0.0005796100000000 ] - [ 0.0185919500000000, -0.0183246100000000, 0.0355552200000000 ] - [ -0.0007240900000000, 0.0019091700000000, 0.0006671000000000 ] - [ -0.0000359900000000, -0.0007423200000000, -0.0016458100000000 ] - [ 0.0003882000000000, 0.0005902100000000, -0.0005777900000000 ] - [ 0.0005866500000000, -0.0003947500000000, 0.0005640000000000 ] - [ -0.0004301600000000, 0.0007306000000000, 0.0008994200000000 ] - [ -0.0103474600000000, -0.0073399600000000, -0.0130513100000000 ] - [ -0.0006202500000000, 0.0006281200000000, -0.0025733100000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0022785700000000, 0.0007468100000000, -0.0030508300000000 ] - [ 0.0004049100000000, 0.0003167700000000, -0.0008176000000000 ] - [ 0.0003658900000000, 0.0000213600000000, 0.0009246400000000 ] - [ 0.0003188200000000, 0.0002001200000000, 0.0011149000000000 ] - [ 0.0127423700000000, -0.0042184400000000, -0.0119067800000000 ] - [ 0.0002041300000000, -0.0003391100000000, -0.0011861800000000 ] - [ 0.0014347800000000, -0.0019758600000000, 0.0045479900000000 ] - [ 0.0000278300000000, 0.0001553100000000, 0.0010968400000000 ] - [ 0.0025921000000000, 0.0015868800000000, 0.0028001900000000 ] - [ 0.0003718000000000, 0.0000732000000000, 0.0005960900000000 ] - [ 0.0086445400000000, 0.0008289300000000, -0.0017894300000000 ] - [ 0.0006226500000000, 0.0003947200000000, -0.0006259600000000 ] - [ -0.0003765100000000, 0.0004706900000000, 0.0003196500000000 ] - [ -0.0010420000000000, -0.0008603700000000, 0.0008700500000000 ] - [ -0.0013592900000000, 0.0008403300000000, 0.0003377100000000 ] - [ -0.0001535800000000, -0.0002490700000000, -0.0004801700000000 ] - [ -0.0023295400000000, -0.0012908100000000, -0.0038861100000000 ] - [ 0.0002843800000000, -0.0002762600000000, -0.0003283500000000 ] - [ -0.0000913000000000, -0.0003760000000000, 0.0025221100000000 ] - [ -0.0000387700000000, 0.0001619600000000, 0.0007894400000000 ] - [ 0.0011931900000000, 0.0020674100000000, -0.0019648400000000 ] - [ -0.0011668900000000, 0.0003505700000000, -0.0046566700000000 ] - [ 0.0014956700000000, 0.0021583800000000, 0.0033463200000000 ] - [ 0.0006604100000000, -0.0006997400000000, 0.0019371900000000 ] - [ 0.0011867600000000, 0.0008655300000000, 0.0012442700000000 ] - [ 0.0018346600000000, -0.0020265300000000, 0.0011514100000000 ] - [ 0.0007492400000000, 0.0011132100000000, -0.0020078900000000 ] - [ 0.0011786700000000, -0.0009684500000000, -0.0008369400000000 ] - [ -0.0021297700000000, 0.0015518600000000, 0.0020647000000000 ] - [ -0.0004266700000000, -0.0000568600000000, 0.0001727400000000 ] - [ -0.0015918900000000, 0.0005282500000000, 0.0025032100000000 ] - [ -0.0013143600000000, -0.0001462800000000, 0.0015116200000000 ] - [ -0.0037441800000000, -0.0003744900000000, -0.0002981900000000 ] - [ 0.0001432500000000, 0.0000235300000000, -0.0001619100000000 ] - [ -0.0003884000000000, 0.0002588300000000, 0.0004183000000000 ] - [ 0.0001133600000000, 0.0001733700000000, 0.0001200300000000 ] - [ 0.0069930500000000, 0.0105789500000000, 0.0018043500000000 ] - [ 0.0002412200000000, -0.0030226900000000, -0.0003336500000000 ] - [ 0.0073688800000000, 0.0047585600000000, 0.0074426100000000 ] - [ -0.0002879900000000, -0.0018083700000000, 0.0001535700000000 ] - [ 0.0093551600000000, -0.0096323300000000, 0.0046840800000000 ] - [ -0.0001102000000000, 0.0031080800000000, -0.0000043500000000 ] - [ 0.0029903000000000, -0.0060627200000000, 0.0033188700000000 ] - [ 0.0002855300000000, 0.0038708300000000, 0.0000640100000000 ] - [ -0.0002171800000000, -0.0006873900000000, -0.0003641200000000 ] - [ 0.0002644700000000, 0.0002733600000000, -0.0003191600000000 ] - [ -0.0004960100000000, -0.0008931700000000, 0.0000656200000000 ] - [ -0.0000566700000000, 0.0003595000000000, -0.0000251700000000 ] - [ -0.0013001900000000, 0.0044089700000000, 0.0129147400000000 ] - [ -0.0010050100000000, 0.0002681200000000, 0.0013014700000000 ] - [ -0.0051204200000000, 0.0737785300000000, -0.0743896300000000 ] - [ -0.0003666300000000, 0.0008013200000000, -0.0007953000000000 ] - [ -0.0000450100000000, -0.0001334300000000, 0.0004901600000000 ] - [ 0.0000860100000000, 0.0000911600000000, 0.0003940300000000 ] - [ 0.0005523700000000, -0.0001710400000000, -0.0000064100000000 ] - [ 0.0005725100000000, -0.0002540700000000, -0.0000518100000000 ] - [ 0.0006907200000000, -0.0003864700000000, -0.0002485500000000 ] - [ 0.0003277500000000, -0.0000901800000000, -0.0000721900000000 ] - [ 0.0004763600000000, 0.0002089400000000, 0.0005447900000000 ] - [ 0.0004881100000000, 0.0003641000000000, 0.0003607800000000 ] - [ 0.0042761700000000, -0.0506887200000000, -0.1625494400000000 ] - [ -0.0009427500000000, -0.0001280200000000, -0.0011978500000000 ] - [ -0.0025517600000000, -0.0027332200000000, 0.0099870900000000 ] - [ -0.0008336300000000, -0.0002693000000000, 0.0016687500000000 ] - [ -0.0012284100000000, 0.0009808700000000, 0.0027678700000000 ] - [ -0.0009877300000000, -0.0005335500000000, 0.0013830700000000 ] - [ -0.0124513800000000, -0.0059627700000000, -0.0168334900000000 ] - [ 0.0000312700000000, -0.0005504200000000, -0.0007468600000000 ] - [ 0.0001219500000000, -0.0001862500000000, 0.0009544800000000 ] - [ 0.0001948100000000, -0.0000390200000000, 0.0005299900000000 ] - [ 0.0026355000000000, -0.0007459100000000, -0.0014579800000000 ] - [ 0.0011100800000000, 0.0003252900000000, -0.0002304500000000 ] - [ 0.0018962700000000, 0.0005070100000000, -0.0010951900000000 ] - [ 0.0009351900000000, 0.0002998900000000, -0.0002735100000000 ] - [ 0.0010088800000000, 0.0001395800000000, 0.0008024000000000 ] - [ 0.0006715600000000, -0.0001224100000000, 0.0005575500000000 ] - [ 0.0236364400000000, -0.0277797200000000, -0.0288660800000000 ] - [ -0.0008725800000000, -0.0004461400000000, -0.0008186700000000 ] - [ -0.0001913300000000, 0.0003481800000000, -0.0001161400000000 ] - [ 0.0001074500000000, 0.0000768500000000, -0.0002893700000000 ] - [ 0.0001782600000000, 0.0000363700000000, -0.0027974600000000 ] - [ 0.0003977400000000, -0.0003473500000000, -0.0007710500000000 ] - [ -0.0012584200000000, 0.0001732500000000, -0.0000761700000000 ] - [ -0.0006543100000000, -0.0006397200000000, -0.0001585500000000 ] - [ 0.0032801600000000, 0.0039420100000000, -0.0009156200000000 ] - [ 0.0008207400000000, -0.0011850100000000, -0.0004079200000000 ] - [ -0.0007722100000000, 0.0006584900000000, -0.0003542100000000 ] - [ -0.0002582100000000, 0.0002295300000000, -0.0002053100000000 ] - [ -0.0010386500000000, -0.0006298400000000, 0.0008384900000000 ] - [ -0.0003793400000000, -0.0003253000000000, 0.0001089900000000 ] - [ -0.0001431600000000, 0.0002823300000000, -0.0011168800000000 ] - [ 0.0000371400000000, 0.0001974100000000, -0.0004785800000000 ] - [ -0.0008128200000000, 0.0006708400000000, 0.0043318400000000 ] - [ 0.0000850800000000, 0.0000652900000000, 0.0013738600000000 ] - [ 0.0042843300000000, 0.0018023700000000, -0.0077059800000000 ] - [ 0.0006106200000000, -0.0006682500000000, -0.0004102500000000 ] - [ 0.0104083500000000, 0.0028735600000000, 0.3237419500000000 ] - [ 0.0011748000000000, -0.0000884400000000, 0.0022653300000000 ] - [ -0.0013815500000000, -0.0002839700000000, -0.0005450000000000 ] - [ -0.0012573000000000, -0.0000863600000000, -0.0005424100000000 ] - [ -0.0019751600000000, 0.0002211800000000, 0.0004151200000000 ] - [ -0.0009540900000000, -0.0001671100000000, 0.0005831800000000 ] - [ 0.0015132800000000, 0.0009853300000000, -0.0026163100000000 ] - [ -0.0003474900000000, -0.0001816900000000, -0.0005195000000000 ] - [ 0.0028860300000000, -0.0004344200000000, 0.0000290700000000 ] - [ 0.0001521300000000, -0.0001655400000000, 0.0003291600000000 ] - [ -0.0087424500000000, -0.0089920300000000, -0.0010083400000000 ] - [ -0.0025508100000000, 0.0039110300000000, -0.0015174300000000 ] - [ 0.0022362900000000, -0.0042305800000000, -0.0116865200000000 ] - [ 0.0011856800000000, 0.0001648800000000, -0.0024124000000000 ] - [ -0.0043906000000000, -0.0054652800000000, -0.0001531500000000 ] - [ -0.0069777500000000, 0.0084711600000000, 0.0047184200000000 ] - [ -0.0016961500000000, -0.0010877700000000, -0.0049424500000000 ] - [ -0.0008418000000000, 0.0006324900000000, -0.0026958600000000 ] - [ -0.0062454400000000, -0.0014225100000000, 0.0094287000000000 ] - [ -0.0004405400000000, 0.0003037200000000, 0.0019289000000000 ] - [ 0.0003652100000000, -0.0000873400000000, -0.0057036600000000 ] - [ 0.0007375900000000, -0.0005083600000000, -0.0035531100000000 ] - [ -0.0423268400000000, -0.0144389800000000, -0.0338728000000000 ] - [ 0.0006584900000000, 0.0005048600000000, 0.0004206400000000 ] - [ -0.0183998400000000, 0.0178213700000000, -0.0356138000000000 ] - [ 0.0007760400000000, -0.0020421500000000, -0.0008398000000000 ] - [ -0.0000142400000000, 0.0005817700000000, 0.0015019200000000 ] - [ -0.0004413400000000, -0.0007473500000000, 0.0004160300000000 ] - [ -0.0005331600000000, 0.0005502000000000, -0.0007308600000000 ] - [ 0.0004891200000000, -0.0005724800000000, -0.0010719400000000 ] - [ 0.0107013800000000, 0.0072209600000000, 0.0129803800000000 ] - [ 0.0009072900000000, -0.0007531000000000, 0.0025148700000000 ]- atom: 103 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011232500000000, 0.0001343700000000, 0.0000341400000000 ] - [ -0.0005253500000000, 0.0001851200000000, -0.0001589400000000 ] - [ 0.0067851600000000, 0.0034679500000000, 0.0077817100000000 ] - [ 0.0055130500000000, 0.0049164600000000, 0.0054639200000000 ] - [ -0.0014980900000000, 0.0004481200000000, 0.0086964900000000 ] - [ 0.0006512600000000, -0.0002442400000000, -0.0007057400000000 ] - [ -0.0022765400000000, 0.0002195700000000, -0.0007711000000000 ] - [ -0.0007150700000000, 0.0002025700000000, -0.0004418500000000 ] - [ -0.0009889600000000, 0.0000477100000000, -0.0050002000000000 ] - [ 0.0007372200000000, 0.0002663800000000, 0.0006378400000000 ] - [ -0.0024301200000000, -0.0002155600000000, 0.0004046400000000 ] - [ -0.0006813900000000, -0.0001817200000000, 0.0002949700000000 ] - [ -0.0012159600000000, 0.0001695600000000, -0.0004436100000000 ] - [ -0.0009597800000000, -0.0002168400000000, -0.0000781500000000 ] - [ 0.0141188200000000, -0.0078438800000000, -0.0075102200000000 ] - [ 0.0064483400000000, -0.0034996300000000, -0.0032081700000000 ] - [ -0.0011055500000000, -0.0003290000000000, 0.0003580800000000 ] - [ -0.0002948200000000, -0.0002123400000000, 0.0003288300000000 ] - [ 0.0604048100000000, -0.0036163700000000, 0.0707492600000000 ] - [ 0.0005926700000000, 0.0010095000000000, 0.0003970800000000 ] - [ 0.0012450300000000, 0.0014923700000000, -0.0014423400000000 ] - [ 0.0019355600000000, -0.0011818000000000, 0.0001939400000000 ] - [ -0.0013874900000000, -0.0005794400000000, -0.0003509100000000 ] - [ -0.0013823400000000, 0.0002305800000000, 0.0002053200000000 ] - [ 0.0013490300000000, 0.0013062300000000, 0.0002969400000000 ] - [ 0.0011537300000000, -0.0013262700000000, 0.0018901900000000 ] - [ -0.0015808200000000, -0.0002130300000000, -0.0000023100000000 ] - [ -0.0008789300000000, 0.0002818400000000, 0.0004043200000000 ] - [ -0.0015085500000000, 0.0000664700000000, -0.0003811300000000 ] - [ -0.0008646200000000, 0.0001602900000000, -0.0000236400000000 ] - [ -0.0029151800000000, 0.0012043000000000, -0.0005735600000000 ] - [ -0.0007266500000000, -0.0000835800000000, 0.0000764800000000 ] - [ 0.1222956100000000, 0.0051562700000000, -0.0762314600000000 ] - [ 0.0009730900000000, -0.0007873400000000, -0.0002071900000000 ] - [ 0.1051757300000000, -0.0807595000000000, -0.0171975600000000 ] - [ 0.0009333900000000, -0.0002841400000000, 0.0005031600000000 ] - [ 0.0001739100000000, 0.0032051100000000, -0.0001513900000000 ] - [ 0.0001566100000000, -0.0012102600000000, 0.0002846900000000 ] - [ -0.0022394800000000, -0.0016803600000000, -0.0001130800000000 ] - [ -0.0004025500000000, 0.0004445600000000, 0.0000801900000000 ] - [ 0.0003925900000000, -0.0032863000000000, 0.0001484700000000 ] - [ 0.0002634400000000, 0.0014658700000000, -0.0005037000000000 ] - [ -0.0018838900000000, 0.0018618200000000, -0.0001082900000000 ] - [ -0.0007938900000000, -0.0006643200000000, -0.0004130200000000 ] - [ -0.0005003000000000, -0.0005361200000000, 0.0000203100000000 ] - [ -0.0002347700000000, 0.0000418000000000, -0.0001876300000000 ] - [ 0.0707896200000000, 0.0717575000000000, 0.0365688800000000 ] - [ 0.0014121400000000, -0.0001915600000000, -0.0007730200000000 ] - [ -0.0013422800000000, 0.0000338000000000, -0.0006604300000000 ] - [ -0.0003386000000000, 0.0002163600000000, 0.0004575000000000 ] - [ -0.0031870900000000, 0.0002754100000000, 0.0000617700000000 ] - [ 0.0000583600000000, -0.0001824200000000, 0.0001339900000000 ] - [ -0.0009659100000000, 0.0000945100000000, 0.0019463200000000 ] - [ -0.0004912500000000, 0.0000355700000000, 0.0013127600000000 ] - [ -0.0021418400000000, -0.0047630200000000, -0.0036519800000000 ] - [ -0.0011012000000000, 0.0023723400000000, -0.0060916900000000 ] - [ 0.0002562500000000, -0.0007964000000000, -0.0006230000000000 ] - [ -0.0002640200000000, -0.0003907500000000, -0.0009652400000000 ] - [ -0.0025392500000000, -0.0023217700000000, 0.0049061500000000 ] - [ -0.0031124500000000, 0.0051606100000000, 0.0038693300000000 ] - [ -0.0016912200000000, 0.0001480100000000, 0.0004740100000000 ] - [ -0.0003123900000000, 0.0001402200000000, -0.0001812400000000 ] - [ -0.0043773400000000, 0.0004574400000000, -0.0006019700000000 ] - [ -0.0000136700000000, -0.0003387900000000, 0.0000269100000000 ] - [ -0.0024376600000000, 0.0033297300000000, -0.0014412200000000 ] - [ 0.0014098100000000, -0.0004119100000000, 0.0004113600000000 ] - [ -0.0030810500000000, -0.0006225200000000, -0.0001449100000000 ] - [ -0.0001551000000000, -0.0000205900000000, 0.0000909300000000 ] - [ -0.0019739900000000, -0.0001483800000000, 0.0012089300000000 ] - [ -0.0022346800000000, 0.0003225600000000, 0.0009256000000000 ] - [ 0.0149878100000000, -0.0004298200000000, -0.0022455800000000 ] - [ 0.0015648700000000, -0.0004216700000000, -0.0003702200000000 ] - [ -0.0016489000000000, 0.0005729100000000, -0.0019034400000000 ] - [ -0.0009564200000000, -0.0004847800000000, -0.0001091900000000 ] - [ 0.0083101700000000, 0.0008312600000000, 0.0029646200000000 ] - [ 0.0005063800000000, 0.0005907700000000, 0.0010579500000000 ] - [ -0.0052637400000000, -0.0036514700000000, 0.0032095500000000 ] - [ 0.0012160100000000, 0.0000944500000000, -0.0003197300000000 ] - [ -0.0004881400000000, 0.0001367300000000, -0.0001152300000000 ] - [ -0.0003568800000000, 0.0000773200000000, 0.0001183000000000 ] - [ 0.0013217100000000, 0.0038939600000000, 0.0038213600000000 ] - [ -0.0002880500000000, -0.0010769400000000, -0.0004230900000000 ] - [ 0.0033159300000000, 0.0010577000000000, 0.0009074000000000 ] - [ 0.0006785100000000, -0.0009477600000000, 0.0000261300000000 ] - [ 0.0038429000000000, -0.0057165600000000, -0.0022649000000000 ] - [ -0.0003714300000000, 0.0017453800000000, 0.0000307000000000 ] - [ -0.0015245800000000, 0.0011205400000000, -0.0008704100000000 ] - [ -0.0003122600000000, 0.0001614300000000, -0.0002440300000000 ] - [ -0.0046510900000000, -0.0014903800000000, 0.0019775400000000 ] - [ -0.0012250500000000, -0.0000360100000000, 0.0000533500000000 ] - [ 0.0020309400000000, 0.0002358900000000, -0.0010724000000000 ] - [ 0.0007309700000000, 0.0001210200000000, -0.0002981800000000 ] - [ 0.0006196500000000, -0.0002481100000000, -0.0003482200000000 ] - [ 0.0003754700000000, 0.0005828900000000, -0.0002638800000000 ] - [ 0.0011939600000000, 0.0000835700000000, -0.0003153800000000 ] - [ 0.0005864100000000, -0.0007801700000000, -0.0000661400000000 ] - [ 0.0068280100000000, -0.0004075800000000, -0.0015649000000000 ] - [ 0.0003435100000000, 0.0002764300000000, 0.0003067600000000 ] - [ 0.0004431100000000, -0.0003195300000000, -0.0069930300000000 ] - [ 0.0004660800000000, -0.0021496800000000, -0.0044376900000000 ] - [ -0.0002818600000000, 0.0020533500000000, 0.0087380900000000 ] - [ -0.0001586800000000, 0.0032375100000000, 0.0025117000000000 ] - [ -0.3631548600000000, 0.0063021900000000, -0.0058851200000000 ] - [ -0.0009925000000000, 0.0001210600000000, 0.0001077100000000 ] - [ 0.0018320600000000, 0.0001604100000000, -0.0000361900000000 ] - [ 0.0008799300000000, -0.0002736900000000, -0.0002196000000000 ] - [ 0.0028738600000000, 0.0014695900000000, 0.0002686000000000 ] - [ 0.0018467900000000, -0.0016073300000000, -0.0001169500000000 ] - [ 0.0044770400000000, -0.0018817200000000, 0.0028702300000000 ] - [ -0.0000970000000000, -0.0001225300000000, 0.0001165700000000 ] - [ -0.0021973600000000, -0.0033736400000000, 0.0012209900000000 ] - [ -0.0021970300000000, 0.0036308100000000, -0.0010068900000000 ] - [ -0.0135600100000000, -0.0192156900000000, 0.0110079000000000 ] - [ -0.0029745100000000, -0.0012656100000000, -0.0035376400000000 ] - [ 0.0062533700000000, -0.0000009400000000, -0.0001590600000000 ] - [ 0.0021480500000000, -0.0001553400000000, -0.0003546100000000 ] - [ 0.0044219800000000, -0.0003412100000000, 0.0006985000000000 ] - [ 0.0022247300000000, 0.0004362100000000, 0.0003099900000000 ] - [ 0.0047845900000000, 0.0001746700000000, -0.0019410600000000 ] - [ -0.0006031300000000, -0.0000783600000000, -0.0000221000000000 ] - [ 0.0076850200000000, -0.0000161100000000, -0.0004024800000000 ] - [ 0.0010970300000000, 0.0001925100000000, 0.0000998600000000 ] - [ 0.0015889200000000, 0.0000913000000000, -0.0007918100000000 ] - [ 0.0015467800000000, -0.0004897000000000, 0.0002895700000000 ] - [ -0.0042434700000000, 0.0240879300000000, -0.0070001200000000 ] - [ -0.0120265400000000, -0.0287420900000000, 0.0067433300000000 ] - [ -0.0139712000000000, 0.0286489400000000, -0.0271336500000000 ] - [ -0.0018278300000000, 0.0003469200000000, 0.0030706900000000 ]- atom: 103 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0012554300000000, 0.0000664300000000, -0.0001291900000000 ] - [ 0.0006552800000000, 0.0000216300000000, 0.0000566100000000 ] - [ -0.0069122100000000, -0.0036982100000000, -0.0078650400000000 ] - [ -0.0056325200000000, -0.0051279600000000, -0.0055561800000000 ] - [ 0.0016352700000000, -0.0006648900000000, -0.0088170200000000 ] - [ -0.0005181000000000, 0.0000375800000000, 0.0006039300000000 ] - [ 0.0021417700000000, -0.0000091500000000, 0.0006634300000000 ] - [ 0.0005855600000000, 0.0000021500000000, 0.0003397100000000 ] - [ 0.0007681400000000, 0.0001338400000000, 0.0050357300000000 ] - [ -0.0009679900000000, -0.0000986000000000, -0.0006502500000000 ] - [ 0.0026717100000000, 0.0000455400000000, -0.0004141800000000 ] - [ 0.0009133600000000, 0.0000125800000000, -0.0003061000000000 ] - [ 0.0009818800000000, -0.0003348500000000, 0.0004277100000000 ] - [ 0.0007284400000000, 0.0000468000000000, 0.0000654500000000 ] - [ -0.0138630100000000, 0.0079988200000000, 0.0075168100000000 ] - [ -0.0061825000000000, 0.0036630600000000, 0.0031808700000000 ] - [ 0.0014815400000000, -0.0001211500000000, 0.0000545300000000 ] - [ 0.0006701700000000, -0.0002401700000000, 0.0000748000000000 ] - [ -0.0604487300000000, 0.0037056500000000, -0.0682380400000000 ] - [ -0.0009670300000000, -0.0005566400000000, 0.0000066700000000 ] - [ -0.0008706300000000, -0.0010397600000000, 0.0018471500000000 ] - [ -0.0015606900000000, 0.0016314100000000, 0.0002206800000000 ] - [ 0.0010134900000000, 0.0001208700000000, 0.0007523800000000 ] - [ 0.0010118200000000, -0.0006782100000000, 0.0002056500000000 ] - [ -0.0018686700000000, -0.0015020200000000, -0.0003089300000000 ] - [ -0.0016680900000000, 0.0011318500000000, -0.0018951500000000 ] - [ 0.0021053900000000, 0.0004045500000000, -0.0000047700000000 ] - [ 0.0013995400000000, -0.0000805600000000, -0.0004118400000000 ] - [ 0.0009911100000000, 0.0001292100000000, 0.0003684500000000 ] - [ 0.0003535200000000, 0.0000330300000000, 0.0000172100000000 ] - [ 0.0025637000000000, -0.0008509400000000, 0.0007432200000000 ] - [ 0.0003731600000000, 0.0004244800000000, 0.0001008200000000 ] - [ -0.1173819700000000, -0.0045099900000000, 0.0714918700000000 ] - [ -0.0004496500000000, 0.0005838600000000, 0.0002013100000000 ] - [ -0.1080723400000000, 0.0854534800000000, 0.0178197700000000 ] - [ -0.0009764900000000, 0.0005019800000000, -0.0005119300000000 ] - [ -0.0001202700000000, -0.0029929700000000, 0.0001446800000000 ] - [ -0.0001151800000000, 0.0014306300000000, -0.0002932700000000 ] - [ 0.0021894000000000, 0.0014540200000000, 0.0001063100000000 ] - [ 0.0003600500000000, -0.0006614800000000, -0.0000875600000000 ] - [ -0.0001332800000000, 0.0032275700000000, -0.0005586900000000 ] - [ -0.0000018200000000, -0.0015392500000000, 0.0000915100000000 ] - [ 0.0016142800000000, -0.0017778500000000, -0.0003056200000000 ] - [ 0.0005435500000000, 0.0007261900000000, 0.0000051400000000 ] - [ 0.0007578000000000, 0.0006042300000000, -0.0004310700000000 ] - [ 0.0004898100000000, 0.0000262300000000, -0.0002224100000000 ] - [ -0.0717489000000000, -0.0744603900000000, -0.0381277800000000 ] - [ -0.0016646800000000, 0.0001159300000000, 0.0003638800000000 ] - [ 0.0008459600000000, -0.0000942500000000, 0.0011028900000000 ] - [ -0.0001675400000000, -0.0002791800000000, -0.0000020700000000 ] - [ 0.0036942400000000, -0.0001961600000000, 0.0003960400000000 ] - [ 0.0004533700000000, 0.0002692500000000, 0.0003111100000000 ] - [ 0.0004567800000000, -0.0000290300000000, -0.0014938200000000 ] - [ -0.0000181400000000, 0.0000365000000000, -0.0008613000000000 ] - [ 0.0026160600000000, 0.0046427400000000, 0.0040533300000000 ] - [ 0.0015905900000000, -0.0024467300000000, 0.0065076700000000 ] - [ -0.0004184400000000, 0.0003374500000000, 0.0008693100000000 ] - [ 0.0001018700000000, -0.0000684000000000, 0.0012143700000000 ] - [ 0.0026586500000000, 0.0028005600000000, -0.0046452500000000 ] - [ 0.0032360800000000, -0.0046740100000000, -0.0035939600000000 ] - [ 0.0015441300000000, 0.0003142700000000, -0.0002056900000000 ] - [ 0.0001589200000000, 0.0003203000000000, 0.0004433400000000 ] - [ 0.0044974400000000, -0.0008926600000000, 0.0008122500000000 ] - [ 0.0001778200000000, -0.0001136200000000, 0.0002064500000000 ] - [ 0.0015463700000000, -0.0030153000000000, 0.0016328200000000 ] - [ -0.0023396900000000, 0.0007413300000000, -0.0002156400000000 ] - [ 0.0040043200000000, 0.0002697000000000, 0.0003456500000000 ] - [ 0.0010765400000000, -0.0003212200000000, 0.0001069500000000 ] - [ 0.0010380800000000, -0.0001698800000000, -0.0010171600000000 ] - [ 0.0012966700000000, -0.0006616500000000, -0.0007227900000000 ] - [ -0.0140981900000000, 0.0007412200000000, 0.0024676200000000 ] - [ -0.0006476100000000, 0.0007637200000000, 0.0005647400000000 ] - [ 0.0020301300000000, -0.0002393600000000, 0.0021029300000000 ] - [ 0.0013239000000000, 0.0008433900000000, 0.0002801600000000 ] - [ -0.0087215100000000, -0.0011556200000000, -0.0028062900000000 ] - [ -0.0008763100000000, -0.0009438300000000, -0.0008801900000000 ] - [ 0.0056918000000000, 0.0033141500000000, -0.0030397400000000 ] - [ -0.0008255800000000, -0.0004550800000000, 0.0004924000000000 ] - [ 0.0005298100000000, -0.0003517200000000, 0.0001071700000000 ] - [ 0.0003965600000000, -0.0002961900000000, -0.0001268400000000 ] - [ -0.0008036800000000, -0.0042702400000000, -0.0041771200000000 ] - [ 0.0008129500000000, 0.0006825000000000, 0.0000260100000000 ] - [ -0.0036861500000000, -0.0018943800000000, -0.0012855000000000 ] - [ -0.0010254000000000, 0.0001434800000000, -0.0003871700000000 ] - [ -0.0041638400000000, 0.0064751000000000, 0.0018664700000000 ] - [ 0.0000243600000000, -0.0009313000000000, -0.0003950600000000 ] - [ 0.0018852700000000, -0.0003118700000000, 0.0005074500000000 ] - [ 0.0006660300000000, 0.0006484600000000, -0.0001180500000000 ] - [ 0.0041375900000000, 0.0010948200000000, -0.0023629400000000 ] - [ 0.0007011200000000, -0.0003573200000000, -0.0004519400000000 ] - [ -0.0015130600000000, 0.0001660000000000, 0.0006862200000000 ] - [ -0.0002020000000000, 0.0002728500000000, -0.0000995000000000 ] - [ -0.0011421000000000, 0.0006417600000000, -0.0000503000000000 ] - [ -0.0009001600000000, -0.0001857400000000, -0.0001340200000000 ] - [ -0.0008448400000000, -0.0008905600000000, -0.0000457600000000 ] - [ -0.0002360900000000, -0.0000287700000000, -0.0002956100000000 ] - [ -0.0066633500000000, 0.0004815300000000, 0.0017394600000000 ] - [ -0.0001697400000000, -0.0002116400000000, -0.0001208000000000 ] - [ -0.0006223700000000, 0.0003412400000000, 0.0071936800000000 ] - [ -0.0006407200000000, 0.0022140300000000, 0.0046093000000000 ] - [ 0.0004807700000000, -0.0020743100000000, -0.0085810900000000 ] - [ 0.0003407500000000, -0.0032900000000000, -0.0023161700000000 ] - [ 0.3616206500000000, -0.0085303900000000, 0.0090173200000000 ] - [ 0.0007274800000000, 0.0000520300000000, -0.0002504400000000 ] - [ -0.0015591600000000, -0.0003331500000000, -0.0001130100000000 ] - [ -0.0006121800000000, 0.0001058500000000, 0.0000729100000000 ] - [ -0.0031367900000000, -0.0016250600000000, -0.0004099700000000 ] - [ -0.0021076800000000, 0.0014231300000000, -0.0000318000000000 ] - [ -0.0046798600000000, 0.0017946800000000, -0.0026282800000000 ] - [ -0.0000861700000000, 0.0000633500000000, 0.0000750600000000 ] - [ 0.0024601600000000, 0.0035487900000000, -0.0013623800000000 ] - [ 0.0024659700000000, -0.0034654800000000, 0.0008611100000000 ] - [ 0.0132954200000000, 0.0191343900000000, -0.0111091300000000 ] - [ 0.0026875600000000, 0.0011424500000000, 0.0034818300000000 ] - [ -0.0059903900000000, 0.0001401300000000, 0.0000900000000000 ] - [ -0.0018538000000000, 0.0002801000000000, 0.0002933200000000 ] - [ -0.0047079600000000, 0.0004569500000000, -0.0007463200000000 ] - [ -0.0025049300000000, -0.0003005400000000, -0.0003643600000000 ] - [ -0.0048778200000000, -0.0000194100000000, 0.0017752500000000 ] - [ 0.0005454500000000, 0.0002404300000000, -0.0001435600000000 ] - [ -0.0076037900000000, -0.0001411000000000, 0.0002172200000000 ] - [ -0.0010442200000000, -0.0003490800000000, -0.0002671900000000 ] - [ -0.0016358200000000, -0.0002428000000000, 0.0006188200000000 ] - [ -0.0015895300000000, 0.0003225700000000, -0.0004475000000000 ] - [ 0.0043397100000000, -0.0239257300000000, 0.0068062800000000 ] - [ 0.0120475000000000, 0.0289691000000000, -0.0068756100000000 ] - [ 0.0142737300000000, -0.0287702700000000, 0.0269804900000000 ] - [ 0.0021076500000000, -0.0004658500000000, -0.0031253700000000 ]- atom: 103 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007438000000000, 0.0002556500000000, 0.0002580700000000 ] - [ -0.0005957300000000, -0.0001565200000000, -0.0002667100000000 ] - [ 0.0027820300000000, -0.0053980200000000, 0.0097244600000000 ] - [ -0.0032050900000000, -0.0102094800000000, -0.0084064900000000 ] - [ -0.0012507300000000, 0.0022204900000000, 0.0037818100000000 ] - [ 0.0005744600000000, -0.0019159500000000, -0.0011694600000000 ] - [ -0.0002611700000000, 0.0010796800000000, -0.0007575300000000 ] - [ 0.0002349400000000, -0.0007718000000000, 0.0005433900000000 ] - [ 0.0015177200000000, 0.0018458400000000, 0.0038733000000000 ] - [ -0.0007380500000000, -0.0017540000000000, -0.0009814200000000 ] - [ 0.0003280900000000, 0.0012440700000000, -0.0006949100000000 ] - [ -0.0002429900000000, -0.0012033600000000, 0.0005879000000000 ] - [ -0.0006641900000000, -0.0002016800000000, 0.0002160500000000 ] - [ 0.0004378500000000, -0.0000398400000000, -0.0001540100000000 ] - [ -0.0065394100000000, -0.0062082700000000, 0.0091101500000000 ] - [ 0.0054068400000000, -0.0103273600000000, -0.0065959800000000 ] - [ 0.0003596200000000, 0.0010658700000000, 0.0010775700000000 ] - [ 0.0000284000000000, -0.0013753300000000, -0.0004768100000000 ] - [ -0.0072720000000000, 0.0274169100000000, -0.0201712500000000 ] - [ -0.0005756700000000, -0.0044161900000000, 0.0018722800000000 ] - [ 0.0015283600000000, -0.0002164900000000, -0.0019055200000000 ] - [ -0.0013634400000000, -0.0001482500000000, 0.0036065200000000 ] - [ 0.0006543800000000, -0.0003167100000000, 0.0002000100000000 ] - [ -0.0011674300000000, -0.0003915000000000, 0.0000232900000000 ] - [ 0.0012936600000000, -0.0002075600000000, 0.0022703900000000 ] - [ -0.0014846600000000, -0.0003787100000000, -0.0015179600000000 ] - [ 0.0014649100000000, 0.0003872500000000, 0.0000452700000000 ] - [ -0.0007555100000000, -0.0004959000000000, -0.0000921700000000 ] - [ -0.0003753800000000, 0.0011642400000000, 0.0008561000000000 ] - [ -0.0001337200000000, -0.0008968100000000, -0.0007028900000000 ] - [ 0.0004191100000000, 0.0004199200000000, 0.0001467500000000 ] - [ -0.0006105000000000, -0.0001812000000000, 0.0000432800000000 ] - [ 0.0095821400000000, 0.0254732200000000, -0.0108474000000000 ] - [ 0.0002953000000000, -0.0049359600000000, 0.0016101800000000 ] - [ -0.0902343500000000, 0.1063880600000000, 0.0152022900000000 ] - [ 0.0009322500000000, -0.0066662000000000, 0.0004673600000000 ] - [ 0.0010042700000000, 0.0016468500000000, 0.0005936000000000 ] - [ -0.0008582600000000, -0.0015079500000000, -0.0000530500000000 ] - [ 0.0001914600000000, 0.0010467100000000, -0.0002872800000000 ] - [ -0.0003517800000000, -0.0012059300000000, 0.0001121000000000 ] - [ -0.0007228200000000, 0.0016885000000000, 0.0006640700000000 ] - [ 0.0010255500000000, -0.0017828800000000, -0.0005021100000000 ] - [ -0.0002464100000000, 0.0007714500000000, -0.0006070800000000 ] - [ 0.0000259700000000, -0.0007973300000000, -0.0000289700000000 ] - [ 0.0009546700000000, 0.0024794400000000, -0.0000100800000000 ] - [ -0.0006880300000000, -0.0023808900000000, -0.0002846500000000 ] - [ 0.0743713600000000, 0.1199170900000000, 0.0465535000000000 ] - [ -0.0009633300000000, -0.0071523900000000, -0.0000957500000000 ] - [ 0.0003836000000000, 0.0012623600000000, 0.0012140200000000 ] - [ -0.0004020600000000, -0.0013556000000000, -0.0003058900000000 ] - [ -0.0007476300000000, 0.0012714800000000, -0.0005354900000000 ] - [ 0.0004007800000000, -0.0010576800000000, 0.0007485700000000 ] - [ 0.0012222100000000, 0.0000748600000000, -0.0018656400000000 ] - [ -0.0019622800000000, -0.0010591800000000, 0.0029603700000000 ] - [ -0.0036987000000000, -0.0075227800000000, -0.0056422100000000 ] - [ 0.0044087800000000, -0.0032708500000000, 0.0068329000000000 ] - [ 0.0016704400000000, -0.0002790400000000, 0.0023850300000000 ] - [ -0.0011219300000000, -0.0008743800000000, -0.0015250800000000 ] - [ -0.0068466600000000, -0.0033392700000000, 0.0071356500000000 ] - [ 0.0038842800000000, -0.0052220800000000, -0.0035515800000000 ] - [ -0.0004008700000000, 0.0011335000000000, 0.0010828300000000 ] - [ 0.0000471600000000, -0.0006538500000000, -0.0004387300000000 ] - [ 0.0016207900000000, 0.0009776000000000, -0.0009737700000000 ] - [ -0.0004495500000000, -0.0011263600000000, 0.0006004800000000 ] - [ 0.0018592000000000, 0.0016368000000000, 0.0011267000000000 ] - [ -0.0032390600000000, -0.0012562700000000, -0.0006437800000000 ] - [ 0.0001918100000000, 0.0003343700000000, 0.0001664100000000 ] - [ 0.0005899300000000, -0.0007238900000000, 0.0000595000000000 ] - [ -0.0033186800000000, 0.0012269600000000, 0.0012490300000000 ] - [ 0.0017242400000000, -0.0013735400000000, -0.0009204200000000 ] - [ 0.0021673400000000, 0.0045409500000000, 0.0069168000000000 ] - [ 0.0005978900000000, -0.0030932300000000, -0.0009494100000000 ] - [ 0.0030058400000000, 0.0027888400000000, 0.0007126800000000 ] - [ -0.0018768300000000, -0.0021910300000000, -0.0000726200000000 ] - [ -0.0020872400000000, 0.0017465900000000, 0.0042589600000000 ] - [ 0.0004672400000000, -0.0028568600000000, -0.0015268800000000 ] - [ -0.0017950500000000, 0.0018131300000000, 0.0009712500000000 ] - [ 0.0026045500000000, -0.0018254800000000, -0.0008389600000000 ] - [ -0.0009358400000000, 0.0016867200000000, 0.0003664500000000 ] - [ 0.0009082800000000, -0.0020578800000000, -0.0002792000000000 ] - [ 0.0027530100000000, -0.0024066400000000, 0.0032005400000000 ] - [ -0.0008085500000000, 0.0016280600000000, -0.0008250600000000 ] - [ 0.0045087900000000, -0.0015521900000000, 0.0009545600000000 ] - [ -0.0013869000000000, 0.0013389600000000, -0.0006217500000000 ] - [ -0.0045173100000000, -0.0008155800000000, 0.0021332800000000 ] - [ 0.0014522300000000, 0.0023913200000000, -0.0003792900000000 ] - [ 0.0004406100000000, -0.0015315200000000, 0.0002039500000000 ] - [ 0.0001709600000000, 0.0020545900000000, -0.0002169300000000 ] - [ -0.0014160900000000, -0.0020909900000000, 0.0068058200000000 ] - [ -0.0002518000000000, 0.0023926400000000, -0.0012027000000000 ] - [ -0.0009727800000000, -0.0011509400000000, 0.0006006400000000 ] - [ 0.0007064500000000, 0.0015053100000000, -0.0004029800000000 ] - [ -0.0001200700000000, -0.0003293100000000, -0.0002059700000000 ] - [ -0.0003231700000000, 0.0007051200000000, -0.0002188300000000 ] - [ 0.0001135200000000, -0.0009308900000000, -0.0003526900000000 ] - [ 0.0001928400000000, 0.0001015200000000, -0.0001103200000000 ] - [ 0.0021830200000000, -0.0017228500000000, -0.0008092700000000 ] - [ -0.0011346500000000, 0.0022063500000000, 0.0003587600000000 ] - [ 0.0056552100000000, -0.0012900900000000, -0.0082680000000000 ] - [ -0.0028479300000000, 0.0033022900000000, 0.0056288800000000 ] - [ -0.0065516200000000, -0.0031971800000000, -0.0088678100000000 ] - [ 0.0017663000000000, 0.0061781600000000, 0.0040800300000000 ] - [ 0.0126473700000000, -0.3401530700000000, -0.0192102900000000 ] - [ -0.0000974100000000, 0.0103201800000000, -0.0016469200000000 ] - [ 0.0003757900000000, -0.0031905800000000, -0.0012236300000000 ] - [ -0.0000584700000000, 0.0027863900000000, 0.0007651100000000 ] - [ -0.0016757400000000, -0.0001760500000000, -0.0000157700000000 ] - [ 0.0013829900000000, 0.0002632100000000, 0.0001760700000000 ] - [ -0.0030083600000000, -0.0012723900000000, -0.0002603800000000 ] - [ 0.0015103700000000, 0.0019858300000000, 0.0000115600000000 ] - [ -0.0034131900000000, 0.0002718600000000, 0.0001024000000000 ] - [ 0.0035994300000000, 0.0002568400000000, -0.0014917400000000 ] - [ -0.0084317100000000, -0.0001000400000000, -0.0230288400000000 ] - [ 0.0036207600000000, 0.0087383700000000, 0.0056243800000000 ] - [ -0.0023097800000000, -0.0019489800000000, -0.0004907600000000 ] - [ 0.0022065400000000, 0.0021158600000000, 0.0001987200000000 ] - [ 0.0018559800000000, -0.0009044100000000, -0.0004797400000000 ] - [ -0.0018670500000000, 0.0012174900000000, 0.0003462900000000 ] - [ -0.0007012800000000, -0.0041475800000000, -0.0043920300000000 ] - [ 0.0001773000000000, 0.0039026500000000, 0.0016540100000000 ] - [ -0.0003840300000000, -0.0027623600000000, 0.0024517400000000 ] - [ 0.0003837600000000, 0.0022258200000000, -0.0014119400000000 ] - [ -0.0030718300000000, -0.0003737300000000, 0.0000208600000000 ] - [ 0.0028542600000000, 0.0004467800000000, -0.0007803000000000 ] - [ 0.0105513700000000, 0.0512443300000000, -0.0014321700000000 ] - [ -0.0105224300000000, 0.0531917300000000, -0.0031372800000000 ] - [ 0.0146145100000000, -0.0015553900000000, -0.0249342500000000 ] - [ -0.0035797000000000, 0.0086053900000000, 0.0055518500000000 ]- atom: 103 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006120700000000, -0.0000530100000000, -0.0003579100000000 ] - [ 0.0007257400000000, 0.0003549800000000, 0.0001683600000000 ] - [ -0.0028945400000000, 0.0052370600000000, -0.0098689400000000 ] - [ 0.0030931800000000, 0.0099471900000000, 0.0082773700000000 ] - [ 0.0013938700000000, -0.0024210400000000, -0.0039115900000000 ] - [ -0.0004434500000000, 0.0017150700000000, 0.0010729800000000 ] - [ 0.0001287100000000, -0.0008830200000000, 0.0006579400000000 ] - [ -0.0003701900000000, 0.0009713400000000, -0.0006437500000000 ] - [ -0.0017299500000000, -0.0016812100000000, -0.0038546900000000 ] - [ 0.0005133400000000, 0.0019117200000000, 0.0009624000000000 ] - [ -0.0001066300000000, -0.0014019700000000, 0.0006790300000000 ] - [ 0.0004620900000000, 0.0010461100000000, -0.0006039600000000 ] - [ 0.0004412200000000, 0.0000437200000000, -0.0002325500000000 ] - [ -0.0006625100000000, -0.0001157800000000, 0.0001362500000000 ] - [ 0.0067718600000000, 0.0063044800000000, -0.0090426900000000 ] - [ -0.0051644700000000, 0.0105419800000000, 0.0066106000000000 ] - [ 0.0000103900000000, -0.0015217000000000, -0.0006729100000000 ] - [ 0.0003355100000000, 0.0009222600000000, 0.0008927600000000 ] - [ 0.0065680200000000, -0.0266056000000000, 0.0198778700000000 ] - [ 0.0002061100000000, 0.0048716500000000, -0.0014663000000000 ] - [ -0.0011597900000000, 0.0006685300000000, 0.0023211400000000 ] - [ 0.0017262700000000, 0.0006118500000000, -0.0031727200000000 ] - [ -0.0010208700000000, -0.0001333000000000, 0.0002191600000000 ] - [ 0.0007979100000000, -0.0000604100000000, 0.0003910300000000 ] - [ -0.0018035300000000, 0.0000118000000000, -0.0022883800000000 ] - [ 0.0009721200000000, 0.0001913600000000, 0.0015047900000000 ] - [ -0.0009534700000000, -0.0001959800000000, -0.0000591200000000 ] - [ 0.0012690500000000, 0.0006826500000000, 0.0000778900000000 ] - [ -0.0001307900000000, -0.0009755000000000, -0.0008616800000000 ] - [ -0.0003768400000000, 0.0010835100000000, 0.0006907100000000 ] - [ -0.0007848800000000, -0.0000679000000000, 0.0000291700000000 ] - [ 0.0002450800000000, 0.0005316400000000, 0.0001331600000000 ] - [ -0.0097017400000000, -0.0259828800000000, 0.0114368500000000 ] - [ 0.0002197900000000, 0.0047429400000000, -0.0016143300000000 ] - [ 0.0853986500000000, -0.1024497300000000, -0.0144721800000000 ] - [ -0.0009617400000000, 0.0068950000000000, -0.0004704500000000 ] - [ -0.0009718500000000, -0.0014410500000000, -0.0006019400000000 ] - [ 0.0008936900000000, 0.0017325100000000, 0.0000464500000000 ] - [ -0.0002353000000000, -0.0012681000000000, 0.0002819800000000 ] - [ 0.0003078200000000, 0.0009757200000000, -0.0001191200000000 ] - [ 0.0009797100000000, -0.0017439100000000, -0.0010746000000000 ] - [ -0.0007651000000000, 0.0017095700000000, 0.0000884700000000 ] - [ -0.0000204300000000, -0.0006985800000000, 0.0001885900000000 ] - [ -0.0002956500000000, 0.0008805900000000, -0.0003882000000000 ] - [ -0.0006919800000000, -0.0024119200000000, -0.0004046400000000 ] - [ 0.0009609800000000, 0.0024556200000000, -0.0001390300000000 ] - [ -0.0791474000000000, -0.1251160500000000, -0.0498892500000000 ] - [ 0.0007121300000000, 0.0070677000000000, -0.0003220200000000 ] - [ -0.0008911100000000, -0.0013438700000000, -0.0007587600000000 ] - [ -0.0001127400000000, 0.0012802200000000, 0.0007622200000000 ] - [ 0.0012613800000000, -0.0011849400000000, 0.0009810100000000 ] - [ 0.0001070900000000, 0.0011467400000000, -0.0003004000000000 ] - [ -0.0017301800000000, 0.0000091900000000, 0.0023182400000000 ] - [ 0.0014533500000000, 0.0011377200000000, -0.0025094700000000 ] - [ 0.0041898600000000, 0.0073910800000000, 0.0060455300000000 ] - [ -0.0038874000000000, 0.0032012400000000, -0.0064112900000000 ] - [ -0.0018344000000000, -0.0001761000000000, -0.0021304800000000 ] - [ 0.0009619300000000, 0.0004133500000000, 0.0017706400000000 ] - [ 0.0070062700000000, 0.0037990900000000, -0.0068572300000000 ] - [ -0.0037395400000000, 0.0057277600000000, 0.0038348200000000 ] - [ 0.0002403200000000, -0.0006704200000000, -0.0008207100000000 ] - [ -0.0002143500000000, 0.0011133000000000, 0.0006984300000000 ] - [ -0.0014507900000000, -0.0014397600000000, 0.0012277300000000 ] - [ 0.0006063700000000, 0.0006715900000000, -0.0003560300000000 ] - [ -0.0027911900000000, -0.0013386700000000, -0.0009324400000000 ] - [ 0.0022929400000000, 0.0015721100000000, 0.0008379700000000 ] - [ 0.0007299700000000, -0.0006617000000000, 0.0000302100000000 ] - [ 0.0003327200000000, 0.0003933300000000, 0.0001373100000000 ] - [ 0.0023830500000000, -0.0015575300000000, -0.0010488900000000 ] - [ -0.0026628800000000, 0.0010565100000000, 0.0011237900000000 ] - [ -0.0012555700000000, -0.0041727300000000, -0.0067102300000000 ] - [ 0.0003505100000000, 0.0034102600000000, 0.0011528000000000 ] - [ -0.0026386900000000, -0.0024254300000000, -0.0005424300000000 ] - [ 0.0022393000000000, 0.0025368600000000, 0.0002461600000000 ] - [ 0.0017058200000000, -0.0021355900000000, -0.0040907900000000 ] - [ -0.0008155700000000, 0.0025042200000000, 0.0017000400000000 ] - [ 0.0021719700000000, -0.0021446500000000, -0.0007959300000000 ] - [ -0.0022377400000000, 0.0014718400000000, 0.0010164500000000 ] - [ 0.0009689800000000, -0.0019048000000000, -0.0003751800000000 ] - [ -0.0008710700000000, 0.0018350900000000, 0.0002710800000000 ] - [ -0.0022092800000000, 0.0019984600000000, -0.0035820100000000 ] - [ 0.0013431300000000, -0.0020264500000000, 0.0004331700000000 ] - [ -0.0048600900000000, 0.0007463700000000, -0.0013199500000000 ] - [ 0.0010325400000000, -0.0021472000000000, 0.0002601500000000 ] - [ 0.0041963300000000, 0.0016313900000000, -0.0025055600000000 ] - [ -0.0017879000000000, -0.0015758700000000, 0.0000152800000000 ] - [ -0.0000876100000000, 0.0023356400000000, -0.0005686800000000 ] - [ 0.0001779400000000, -0.0012457600000000, -0.0001407600000000 ] - [ 0.0008883400000000, 0.0017072900000000, -0.0072214000000000 ] - [ -0.0002795900000000, -0.0027826700000000, 0.0007953900000000 ] - [ 0.0015021000000000, 0.0015455400000000, -0.0010022000000000 ] - [ -0.0001854500000000, -0.0011088100000000, 0.0000092200000000 ] - [ -0.0004009300000000, 0.0007262300000000, -0.0001897800000000 ] - [ -0.0001973400000000, -0.0003112500000000, -0.0001776400000000 ] - [ 0.0002394600000000, 0.0001220400000000, -0.0000093800000000 ] - [ 0.0001620500000000, -0.0009078200000000, -0.0002527100000000 ] - [ -0.0020039700000000, 0.0017765900000000, 0.0010005700000000 ] - [ 0.0013242000000000, -0.0021449100000000, -0.0001715300000000 ] - [ -0.0058530200000000, 0.0013661300000000, 0.0084700500000000 ] - [ 0.0026475000000000, -0.0032541500000000, -0.0054602900000000 ] - [ 0.0067326100000000, 0.0031192600000000, 0.0090543500000000 ] - [ -0.0016075700000000, -0.0062221800000000, -0.0038933700000000 ] - [ -0.0021765400000000, 0.3416647800000000, 0.0213845600000000 ] - [ -0.0001630900000000, -0.0101444300000000, 0.0015150400000000 ] - [ -0.0001200600000000, 0.0030200100000000, 0.0010944600000000 ] - [ 0.0003196800000000, -0.0029601700000000, -0.0009029400000000 ] - [ 0.0014205300000000, -0.0000010800000000, -0.0001250200000000 ] - [ -0.0016428300000000, -0.0004323000000000, -0.0003150000000000 ] - [ 0.0028275800000000, 0.0012261100000000, 0.0004375100000000 ] - [ -0.0016796200000000, -0.0020487000000000, 0.0001775200000000 ] - [ 0.0036840600000000, -0.0000877100000000, -0.0002396200000000 ] - [ -0.0033256500000000, -0.0000974900000000, 0.0013458200000000 ] - [ 0.0081748600000000, 0.0000954700000000, 0.0231066000000000 ] - [ -0.0038934100000000, -0.0088363100000000, -0.0056320700000000 ] - [ 0.0025995800000000, 0.0020737000000000, 0.0004381400000000 ] - [ -0.0019129100000000, -0.0019858500000000, -0.0002548100000000 ] - [ -0.0021386700000000, 0.0010374900000000, 0.0004227300000000 ] - [ 0.0015906300000000, -0.0010922700000000, -0.0004021100000000 ] - [ 0.0006311300000000, 0.0043019300000000, 0.0042271200000000 ] - [ -0.0002240400000000, -0.0037428400000000, -0.0018180100000000 ] - [ 0.0004338400000000, 0.0026072300000000, -0.0026150800000000 ] - [ -0.0003202900000000, -0.0023819100000000, 0.0012467100000000 ] - [ 0.0030197300000000, 0.0002139300000000, -0.0001825500000000 ] - [ -0.0029067700000000, -0.0006004100000000, 0.0006193700000000 ] - [ -0.0107686300000000, -0.0513859600000000, 0.0011400700000000 ] - [ 0.0101994500000000, -0.0527000200000000, 0.0029939500000000 ] - [ -0.0142733900000000, 0.0012661400000000, 0.0247189900000000 ] - [ 0.0038747100000000, -0.0087524400000000, -0.0056504900000000 ]- atom: 103 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003482200000000, 0.0005573800000000, -0.0008005500000000 ] - [ 0.0000328300000000, 0.0002365900000000, -0.0005646100000000 ] - [ 0.0055932800000000, 0.0094985100000000, 0.0086453500000000 ] - [ 0.0006083300000000, -0.0031529800000000, 0.0014690100000000 ] - [ 0.0042486600000000, -0.0026958500000000, -0.0111698400000000 ] - [ 0.0003505900000000, 0.0000519300000000, -0.0007651300000000 ] - [ -0.0002885300000000, -0.0004679600000000, 0.0008785100000000 ] - [ -0.0000378300000000, 0.0001979300000000, 0.0001585100000000 ] - [ -0.0054430400000000, -0.0024051000000000, -0.0126845600000000 ] - [ -0.0002627700000000, 0.0003237000000000, -0.0003537600000000 ] - [ -0.0003280700000000, -0.0005973600000000, 0.0009924300000000 ] - [ 0.0000349600000000, 0.0000673000000000, 0.0001213200000000 ] - [ -0.0002245500000000, 0.0002887500000000, -0.0006699600000000 ] - [ -0.0001817000000000, -0.0000517500000000, -0.0003807500000000 ] - [ -0.0045362100000000, 0.0092571300000000, 0.0050805200000000 ] - [ 0.0012305900000000, -0.0037740800000000, -0.0000907900000000 ] - [ 0.0000991100000000, -0.0010816600000000, -0.0011066700000000 ] - [ 0.0001812000000000, -0.0000348300000000, 0.0000106900000000 ] - [ 0.0750913500000000, -0.0137686700000000, 0.1387136200000000 ] - [ -0.0000797500000000, 0.0001678800000000, 0.0010094900000000 ] - [ 0.0006934800000000, 0.0000712900000000, -0.0021080200000000 ] - [ 0.0018146500000000, 0.0028357500000000, -0.0037345700000000 ] - [ -0.0001076600000000, -0.0001439400000000, 0.0006654300000000 ] - [ -0.0001788100000000, 0.0003537600000000, 0.0011367300000000 ] - [ -0.0011525800000000, 0.0023214500000000, -0.0029839100000000 ] - [ -0.0005659700000000, -0.0004954500000000, -0.0017219800000000 ] - [ -0.0001865800000000, 0.0005625700000000, 0.0008975800000000 ] - [ 0.0000138900000000, 0.0001864700000000, 0.0003940900000000 ] - [ -0.0005854700000000, -0.0005616100000000, -0.0011257000000000 ] - [ -0.0003467900000000, 0.0002503700000000, -0.0001779400000000 ] - [ -0.0027069600000000, 0.0004088800000000, 0.0000430300000000 ] - [ -0.0005799900000000, 0.0001262400000000, 0.0001118600000000 ] - [ -0.0788616300000000, -0.0084740300000000, 0.0767073500000000 ] - [ 0.0002174700000000, -0.0003642100000000, 0.0005598000000000 ] - [ -0.0151447800000000, 0.0097655900000000, 0.0176180500000000 ] - [ 0.0001193000000000, 0.0015003500000000, 0.0017338200000000 ] - [ -0.0006307500000000, -0.0000774800000000, -0.0028151600000000 ] - [ 0.0003211700000000, 0.0006895300000000, -0.0009200700000000 ] - [ -0.0001532400000000, -0.0006169000000000, 0.0009448100000000 ] - [ -0.0000282800000000, 0.0002027400000000, 0.0003239100000000 ] - [ 0.0000907600000000, -0.0013308500000000, -0.0032297300000000 ] - [ -0.0002555500000000, 0.0012676400000000, -0.0012904200000000 ] - [ -0.0003074400000000, 0.0000254200000000, 0.0008148300000000 ] - [ -0.0001120100000000, 0.0003713300000000, 0.0001560700000000 ] - [ -0.0000123900000000, -0.0010732900000000, -0.0012652500000000 ] - [ 0.0003454800000000, 0.0008509600000000, -0.0007443400000000 ] - [ 0.0367598400000000, 0.0454229600000000, 0.0422037100000000 ] - [ -0.0005057900000000, 0.0017472500000000, 0.0012934800000000 ] - [ -0.0027023900000000, -0.0008002700000000, -0.0020164100000000 ] - [ -0.0004271800000000, 0.0002280800000000, 0.0000413400000000 ] - [ 0.0028970700000000, -0.0009593700000000, 0.0014271200000000 ] - [ 0.0004729100000000, 0.0002596000000000, 0.0003594400000000 ] - [ 0.0003998100000000, -0.0002765500000000, -0.0010939900000000 ] - [ 0.0015517000000000, 0.0021400100000000, -0.0008886900000000 ] - [ -0.0010325800000000, -0.0021648000000000, -0.0012526800000000 ] - [ -0.0005998700000000, 0.0013327100000000, 0.0047356100000000 ] - [ -0.0033290100000000, 0.0020105700000000, -0.0037215000000000 ] - [ -0.0003895400000000, -0.0001707700000000, -0.0012907400000000 ] - [ -0.0020046100000000, -0.0001572600000000, 0.0070989400000000 ] - [ 0.0003604300000000, 0.0001525000000000, 0.0003562300000000 ] - [ 0.0006765100000000, -0.0005062600000000, -0.0021801700000000 ] - [ -0.0001676200000000, 0.0003679600000000, -0.0004073700000000 ] - [ -0.0034352600000000, -0.0010655200000000, 0.0040426500000000 ] - [ -0.0000790600000000, -0.0001423800000000, 0.0006461800000000 ] - [ -0.0075123000000000, 0.0053140400000000, -0.0031174000000000 ] - [ -0.0008645500000000, -0.0004931000000000, -0.0000761000000000 ] - [ 0.0018805700000000, -0.0003230200000000, 0.0001503400000000 ] - [ 0.0006670300000000, -0.0001226800000000, 0.0000834900000000 ] - [ 0.0026300400000000, 0.0005692000000000, 0.0002345500000000 ] - [ -0.0001632400000000, -0.0001110500000000, 0.0000296700000000 ] - [ -0.0081949100000000, 0.0088156100000000, -0.0100479700000000 ] - [ 0.0003616300000000, -0.0001535700000000, -0.0002131600000000 ] - [ -0.0042083300000000, 0.0006345800000000, 0.0001649800000000 ] - [ -0.0002941500000000, 0.0000370900000000, -0.0000391600000000 ] - [ 0.0102852900000000, 0.0075012100000000, -0.0047507000000000 ] - [ 0.0003003400000000, -0.0002650400000000, -0.0001264500000000 ] - [ 0.0054184800000000, 0.0015836100000000, -0.0031111500000000 ] - [ 0.0008011300000000, -0.0005945000000000, -0.0002946900000000 ] - [ 0.0003055600000000, -0.0006244600000000, -0.0010324400000000 ] - [ -0.0004029800000000, 0.0008230700000000, -0.0004678700000000 ] - [ 0.0052242600000000, 0.0057021800000000, 0.0027354800000000 ] - [ 0.0005630900000000, -0.0016794600000000, -0.0001602300000000 ] - [ 0.0012082200000000, 0.0002693300000000, -0.0007544700000000 ] - [ 0.0000010000000000, -0.0006275800000000, -0.0004590200000000 ] - [ -0.0030984100000000, 0.0036452600000000, -0.0026852000000000 ] - [ -0.0008488100000000, -0.0006246700000000, -0.0007066900000000 ] - [ -0.0012277400000000, 0.0023301300000000, 0.0037583100000000 ] - [ -0.0000254100000000, -0.0002282900000000, 0.0003630600000000 ] - [ 0.0014886700000000, 0.0057590100000000, 0.0069603000000000 ] - [ 0.0000081100000000, -0.0011160300000000, 0.0001648900000000 ] - [ -0.0003879400000000, 0.0007613300000000, -0.0001584800000000 ] - [ 0.0001333800000000, -0.0000740000000000, -0.0003313600000000 ] - [ -0.0003731700000000, 0.0005404500000000, -0.0000505700000000 ] - [ -0.0003762000000000, -0.0001564700000000, -0.0001725700000000 ] - [ 0.0005169000000000, -0.0000360900000000, 0.0004190400000000 ] - [ 0.0003133900000000, -0.0007722800000000, 0.0000529700000000 ] - [ -0.0050882100000000, 0.0020370600000000, 0.0026483600000000 ] - [ -0.0003736100000000, 0.0001725200000000, 0.0005396400000000 ] - [ -0.0094924600000000, -0.0082210700000000, -0.0047081300000000 ] - [ -0.0008802800000000, 0.0000990600000000, 0.0001671600000000 ] - [ 0.0129692400000000, -0.0094669800000000, 0.0010242900000000 ] - [ 0.0006271000000000, 0.0014889000000000, 0.0015352700000000 ] - [ -0.0123077100000000, -0.0190039900000000, -0.3228560400000000 ] - [ 0.0000517100000000, -0.0014925100000000, -0.0023752700000000 ] - [ 0.0000834400000000, 0.0010730300000000, 0.0020730800000000 ] - [ 0.0002614100000000, -0.0009234600000000, 0.0004836900000000 ] - [ 0.0002078400000000, -0.0001392600000000, -0.0012192500000000 ] - [ -0.0001679100000000, -0.0003260900000000, -0.0011831100000000 ] - [ 0.0094682700000000, 0.0004157700000000, -0.0000024600000000 ] - [ 0.0006188300000000, 0.0001618900000000, -0.0003046200000000 ] - [ 0.0010686700000000, -0.0013325300000000, 0.0050682500000000 ] - [ -0.0011582200000000, 0.0002573100000000, 0.0050642400000000 ] - [ 0.0002476200000000, -0.0373310400000000, 0.0409107400000000 ] - [ 0.0000419300000000, 0.0012026700000000, 0.0013172600000000 ] - [ 0.0021911300000000, 0.0000316200000000, -0.0001024300000000 ] - [ 0.0004537000000000, -0.0002826900000000, 0.0000234500000000 ] - [ -0.0000830200000000, -0.0001174600000000, 0.0001197400000000 ] - [ 0.0000130600000000, -0.0001614500000000, -0.0000134800000000 ] - [ 0.0031884800000000, 0.0032223400000000, 0.0143333200000000 ] - [ 0.0001418000000000, -0.0015184500000000, 0.0014254700000000 ] - [ 0.0008871800000000, 0.0016063000000000, -0.0056386800000000 ] - [ 0.0000679900000000, -0.0007971400000000, -0.0008499700000000 ] - [ 0.0015894700000000, -0.0001749900000000, 0.0033359500000000 ] - [ -0.0003148800000000, -0.0006618300000000, 0.0029188300000000 ] - [ -0.0030012100000000, 0.0103492300000000, -0.0145833000000000 ] - [ 0.0052735300000000, 0.0027441500000000, -0.0108009000000000 ] - [ -0.0161398400000000, -0.0292611900000000, 0.0354886200000000 ] - [ -0.0004589400000000, 0.0013785400000000, 0.0019627200000000 ]- atom: 103 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004881700000000, -0.0003518100000000, 0.0006965000000000 ] - [ 0.0000986600000000, -0.0000300200000000, 0.0004597900000000 ] - [ -0.0057241800000000, -0.0096974600000000, -0.0087259300000000 ] - [ -0.0007176000000000, 0.0029556600000000, -0.0015303100000000 ] - [ -0.0041641800000000, 0.0024818300000000, 0.0110751800000000 ] - [ -0.0002226300000000, -0.0002614000000000, 0.0006630400000000 ] - [ 0.0001638900000000, 0.0006744100000000, -0.0009755000000000 ] - [ -0.0000910900000000, 0.0000086300000000, -0.0002580600000000 ] - [ 0.0051821400000000, 0.0026124700000000, 0.0127306000000000 ] - [ 0.0000257700000000, -0.0001521700000000, 0.0003432200000000 ] - [ 0.0005722600000000, 0.0004281200000000, -0.0010109900000000 ] - [ 0.0002003100000000, -0.0002377700000000, -0.0001354700000000 ] - [ -0.0000041400000000, -0.0004583800000000, 0.0006589600000000 ] - [ -0.0000487100000000, -0.0001204100000000, 0.0003725500000000 ] - [ 0.0047740800000000, -0.0090768800000000, -0.0051368000000000 ] - [ -0.0009739300000000, 0.0039303100000000, 0.0000541900000000 ] - [ 0.0002789800000000, 0.0006322500000000, 0.0015149100000000 ] - [ 0.0002006300000000, -0.0004216200000000, 0.0003809400000000 ] - [ -0.0706238800000000, 0.0127169300000000, -0.1311975900000000 ] - [ -0.0002954400000000, 0.0002856900000000, -0.0006033100000000 ] - [ -0.0003195300000000, 0.0003897200000000, 0.0025072100000000 ] - [ -0.0014633800000000, -0.0024063900000000, 0.0041503200000000 ] - [ -0.0002603800000000, -0.0003038500000000, -0.0002458600000000 ] - [ -0.0001925000000000, -0.0008041500000000, -0.0007255000000000 ] - [ 0.0006218700000000, -0.0025069700000000, 0.0029668000000000 ] - [ 0.0000476000000000, 0.0002911900000000, 0.0017231700000000 ] - [ 0.0007243100000000, -0.0003672700000000, -0.0009229900000000 ] - [ 0.0005082800000000, 0.0000079600000000, -0.0004078100000000 ] - [ 0.0000677100000000, 0.0007595200000000, 0.0011164700000000 ] - [ -0.0001606600000000, -0.0000544700000000, 0.0001790500000000 ] - [ 0.0023506100000000, -0.0000536500000000, 0.0001347300000000 ] - [ 0.0002161900000000, 0.0002277800000000, 0.0000655800000000 ] - [ 0.0830907400000000, 0.0087939100000000, -0.0786973500000000 ] - [ 0.0003060000000000, 0.0001631400000000, -0.0005687600000000 ] - [ 0.0157121500000000, -0.0102441600000000, -0.0179045000000000 ] - [ -0.0001541100000000, -0.0012796500000000, -0.0017412700000000 ] - [ 0.0006687400000000, 0.0002915300000000, 0.0028099200000000 ] - [ -0.0002914200000000, -0.0004800000000000, 0.0009116000000000 ] - [ 0.0001078900000000, 0.0003915000000000, -0.0009517400000000 ] - [ -0.0000118200000000, -0.0004247800000000, -0.0003333100000000 ] - [ 0.0001590300000000, 0.0012743800000000, 0.0028214400000000 ] - [ 0.0005158600000000, -0.0013343300000000, 0.0008751700000000 ] - [ 0.0000470100000000, 0.0000451300000000, -0.0012323200000000 ] - [ -0.0001528000000000, -0.0002881500000000, -0.0005754800000000 ] - [ 0.0002848300000000, 0.0011505000000000, 0.0008501900000000 ] - [ -0.0000868700000000, -0.0007911000000000, 0.0003297700000000 ] - [ -0.0374074100000000, -0.0460700700000000, -0.0421295200000000 ] - [ 0.0002498200000000, -0.0018166200000000, -0.0017057200000000 ] - [ 0.0021974200000000, 0.0007376500000000, 0.0024748400000000 ] - [ -0.0000816100000000, -0.0002965600000000, 0.0004125800000000 ] - [ -0.0023785000000000, 0.0010333900000000, -0.0009838200000000 ] - [ 0.0000341700000000, -0.0001811000000000, 0.0000842300000000 ] - [ -0.0009033900000000, 0.0003349400000000, 0.0015557400000000 ] - [ -0.0020472200000000, -0.0020552900000000, 0.0013327300000000 ] - [ 0.0015205100000000, 0.0020800500000000, 0.0016660000000000 ] - [ 0.0010991400000000, -0.0014270700000000, -0.0043542200000000 ] - [ 0.0032190900000000, -0.0024941900000000, 0.0039965500000000 ] - [ 0.0002306600000000, -0.0002807800000000, 0.0015230500000000 ] - [ 0.0021423300000000, 0.0006178800000000, -0.0067969300000000 ] - [ -0.0002273900000000, 0.0003333900000000, -0.0000819800000000 ] - [ -0.0008381600000000, 0.0009623300000000, 0.0024272800000000 ] - [ 0.0000111000000000, 0.0000907100000000, 0.0006627600000000 ] - [ 0.0035935000000000, 0.0006131400000000, -0.0037961100000000 ] - [ 0.0002338800000000, -0.0003104900000000, -0.0004057200000000 ] - [ 0.0066228100000000, -0.0050221500000000, 0.0033231700000000 ] - [ -0.0000635300000000, 0.0008298500000000, 0.0002756400000000 ] - [ -0.0009460900000000, -0.0000200600000000, 0.0000428800000000 ] - [ 0.0002547600000000, -0.0002217000000000, 0.0001108300000000 ] - [ -0.0035381600000000, -0.0009075200000000, -0.0000333800000000 ] - [ -0.0007682200000000, -0.0002234500000000, 0.0001741900000000 ] - [ 0.0091844600000000, -0.0086528300000000, 0.0103867300000000 ] - [ 0.0005706100000000, 0.0004822700000000, 0.0004066400000000 ] - [ 0.0046185000000000, -0.0002835000000000, 0.0000008800000000 ] - [ 0.0006556200000000, 0.0003142700000000, 0.0002121700000000 ] - [ -0.0106367500000000, -0.0077706800000000, 0.0048782900000000 ] - [ -0.0006705400000000, -0.0000886300000000, 0.0003065200000000 ] - [ -0.0050059100000000, -0.0019141300000000, 0.0032551800000000 ] - [ -0.0004214300000000, 0.0002324000000000, 0.0004650600000000 ] - [ -0.0002591000000000, 0.0004082900000000, 0.0010228800000000 ] - [ 0.0004374400000000, -0.0010383000000000, 0.0004584000000000 ] - [ -0.0046613200000000, -0.0060790800000000, -0.0031193800000000 ] - [ -0.0000328700000000, 0.0012854700000000, -0.0002368500000000 ] - [ -0.0015532000000000, -0.0010791300000000, 0.0003986800000000 ] - [ -0.0003518800000000, -0.0001789700000000, 0.0000985700000000 ] - [ 0.0027439100000000, -0.0028301900000000, 0.0023349400000000 ] - [ 0.0004999000000000, 0.0014304800000000, 0.0003436100000000 ] - [ 0.0015764600000000, -0.0015103300000000, -0.0041112800000000 ] - [ 0.0003770300000000, 0.0010355400000000, -0.0007245800000000 ] - [ -0.0020209300000000, -0.0062420500000000, -0.0074380200000000 ] - [ -0.0005312900000000, 0.0007247300000000, -0.0005587800000000 ] - [ 0.0009114000000000, -0.0003636200000000, -0.0002434700000000 ] - [ 0.0003924200000000, 0.0004688800000000, -0.0000686400000000 ] - [ -0.0001515100000000, -0.0001444400000000, -0.0003427800000000 ] - [ -0.0001490500000000, 0.0005518500000000, -0.0002211200000000 ] - [ -0.0001661700000000, -0.0007741700000000, -0.0007850100000000 ] - [ 0.0000366500000000, -0.0000345100000000, -0.0004163900000000 ] - [ 0.0052427000000000, -0.0019724800000000, -0.0024424800000000 ] - [ 0.0005486400000000, -0.0001104900000000, -0.0003497400000000 ] - [ 0.0092466300000000, 0.0082282100000000, 0.0048432500000000 ] - [ 0.0006981800000000, -0.0000322400000000, -0.0000048000000000 ] - [ -0.0129753700000000, 0.0095247800000000, -0.0008147400000000 ] - [ -0.0004497100000000, -0.0015409800000000, -0.0013423600000000 ] - [ 0.0026688400000000, 0.0214570500000000, 0.3172496200000000 ] - [ -0.0003086300000000, 0.0016584700000000, 0.0022404500000000 ] - [ 0.0001578400000000, -0.0012422900000000, -0.0022040200000000 ] - [ -0.0000215500000000, 0.0007567700000000, -0.0006071200000000 ] - [ -0.0004718400000000, -0.0000252100000000, 0.0010843200000000 ] - [ -0.0000914200000000, 0.0001646300000000, 0.0010449000000000 ] - [ -0.0096712400000000, -0.0004764500000000, 0.0001830400000000 ] - [ -0.0007977700000000, -0.0002268100000000, 0.0004913100000000 ] - [ -0.0007985500000000, 0.0014971200000000, -0.0052135600000000 ] - [ 0.0014334600000000, -0.0000887000000000, -0.0052164700000000 ] - [ -0.0002861400000000, 0.0370080600000000, -0.0407016700000000 ] - [ -0.0003249500000000, -0.0013284600000000, -0.0013864700000000 ] - [ -0.0019389200000000, 0.0001000000000000, 0.0000571800000000 ] - [ -0.0001674700000000, 0.0004119900000000, -0.0000760900000000 ] - [ -0.0002167600000000, 0.0002421300000000, -0.0001859600000000 ] - [ -0.0002964800000000, 0.0002908100000000, -0.0000525600000000 ] - [ -0.0032247700000000, -0.0030695700000000, -0.0145247200000000 ] - [ -0.0001941200000000, 0.0016837100000000, -0.0015924300000000 ] - [ -0.0008480200000000, -0.0017630600000000, 0.0054678000000000 ] - [ -0.0000156800000000, 0.0006378400000000, 0.0006820000000000 ] - [ -0.0016734400000000, 0.0000260900000000, -0.0035235400000000 ] - [ 0.0002557100000000, 0.0004958900000000, -0.0030752800000000 ] - [ 0.0030616300000000, -0.0101209100000000, 0.0143816800000000 ] - [ -0.0051942000000000, -0.0026985700000000, 0.0106787200000000 ] - [ 0.0168521500000000, 0.0293929600000000, -0.0356716700000000 ] - [ 0.0007448600000000, -0.0015018900000000, -0.0020063800000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008573700000000, 0.0001177500000000, 0.0010284600000000 ] - [ -0.0013432100000000, -0.0005074100000000, 0.0012109900000000 ] - [ 0.0246125600000000, 0.0127103900000000, 0.0123927300000000 ] - [ 0.0010198900000000, -0.0003678700000000, 0.0003940200000000 ] - [ 0.0012487800000000, -0.0016684100000000, -0.0035201000000000 ] - [ 0.0012137500000000, -0.0002777000000000, -0.0015734200000000 ] - [ -0.0062843600000000, 0.0003813500000000, -0.0021490200000000 ] - [ -0.0009143300000000, 0.0000943100000000, -0.0004708900000000 ] - [ 0.0281285100000000, 0.0102478400000000, 0.0131450600000000 ] - [ 0.0013926200000000, 0.0003057600000000, 0.0006969900000000 ] - [ -0.0018445400000000, -0.0001381100000000, 0.0007924300000000 ] - [ -0.0010077900000000, -0.0003989000000000, 0.0007060200000000 ] - [ -0.0062594400000000, 0.0001037600000000, -0.0012328000000000 ] - [ -0.0015003300000000, 0.0002499700000000, -0.0006281300000000 ] - [ 0.0015041200000000, -0.0005190100000000, -0.0008943200000000 ] - [ 0.0035127000000000, -0.0011517400000000, -0.0038092300000000 ] - [ -0.0015771600000000, 0.0005913000000000, 0.0017864400000000 ] - [ -0.0008095100000000, -0.0006532300000000, 0.0008192900000000 ] - [ 0.0263041100000000, 0.0192093300000000, -0.0101889800000000 ] - [ 0.0011576200000000, -0.0007841200000000, 0.0014387400000000 ] - [ 0.0028224600000000, 0.0007359500000000, -0.0002920800000000 ] - [ 0.0012920100000000, -0.0006167100000000, -0.0005591500000000 ] - [ -0.0012021400000000, -0.0006421800000000, -0.0006137500000000 ] - [ -0.0044965000000000, -0.0000017000000000, -0.0005210000000000 ] - [ 0.0264591100000000, 0.0132117800000000, -0.0085570500000000 ] - [ 0.0011106700000000, -0.0011489000000000, 0.0009041300000000 ] - [ -0.0008236500000000, -0.0001502100000000, 0.0003352200000000 ] - [ -0.0016663500000000, 0.0002624300000000, 0.0005206400000000 ] - [ -0.0050991700000000, 0.0004408500000000, -0.0006617300000000 ] - [ -0.0013775000000000, -0.0004235600000000, -0.0006790100000000 ] - [ -0.0175687700000000, 0.0017598600000000, -0.0011667200000000 ] - [ -0.0013391000000000, -0.0001484000000000, 0.0000201000000000 ] - [ 0.0022889700000000, -0.0002352600000000, 0.0008169200000000 ] - [ 0.0015366800000000, -0.0008431000000000, -0.0004291400000000 ] - [ 0.0039771800000000, -0.0002681200000000, 0.0001821900000000 ] - [ 0.0013372500000000, -0.0037077400000000, -0.0011611500000000 ] - [ 0.0024772400000000, 0.0030384900000000, -0.0070822900000000 ] - [ 0.0001464000000000, -0.0011192800000000, -0.0000912700000000 ] - [ -0.0024188600000000, -0.0027567900000000, 0.0004354900000000 ] - [ -0.0012570400000000, 0.0007015500000000, 0.0004467000000000 ] - [ 0.0013663300000000, -0.0037192200000000, -0.0018257000000000 ] - [ 0.0036697400000000, 0.0024200900000000, -0.0030045900000000 ] - [ -0.0030892100000000, 0.0026698800000000, 0.0006235700000000 ] - [ -0.0005362100000000, -0.0008802300000000, -0.0001795200000000 ] - [ -0.0018259200000000, 0.0020725900000000, 0.0011851600000000 ] - [ -0.0020523300000000, -0.0030494900000000, 0.0012323900000000 ] - [ 0.0042364100000000, 0.0054578900000000, -0.0031399300000000 ] - [ 0.0002280200000000, -0.0014920500000000, -0.0002654700000000 ] - [ -0.0063801900000000, -0.0099846100000000, -0.0072458900000000 ] - [ -0.0004328300000000, 0.0009213200000000, 0.0000864000000000 ] - [ -0.0007345500000000, -0.0008363000000000, 0.0018375700000000 ] - [ 0.0000977800000000, -0.0001136400000000, 0.0003088400000000 ] - [ -0.0006119000000000, 0.0014838800000000, 0.0003900400000000 ] - [ -0.0099351700000000, -0.0093513900000000, 0.0079333700000000 ] - [ 0.0006532800000000, -0.0011194300000000, -0.0019241100000000 ] - [ 0.0005582800000000, -0.0002912700000000, 0.0003126200000000 ] - [ 0.0004412600000000, -0.0000245400000000, 0.0011414800000000 ] - [ 0.0002088500000000, -0.0015280700000000, 0.0023155000000000 ] - [ -0.0021656500000000, -0.0070291200000000, -0.0107856900000000 ] - [ 0.0003346000000000, 0.0002935700000000, -0.0002717500000000 ] - [ -0.0013664400000000, -0.0012959700000000, -0.0027668700000000 ] - [ -0.0006789600000000, 0.0002506500000000, -0.0007273700000000 ] - [ -0.0113620900000000, -0.0066096500000000, 0.0107304600000000 ] - [ -0.0001606500000000, -0.0000701400000000, 0.0004238400000000 ] - [ 0.0913624400000000, -0.0326184400000000, -0.0088819800000000 ] - [ 0.0002556900000000, -0.0004540500000000, 0.0004059700000000 ] - [ -0.0017233800000000, -0.0008006000000000, -0.0000493100000000 ] - [ -0.0008798300000000, -0.0000632100000000, 0.0001792000000000 ] - [ -0.0186402400000000, -0.0007589300000000, 0.0007371900000000 ] - [ -0.0012740000000000, -0.0003712500000000, -0.0001585100000000 ] - [ 0.0027272600000000, 0.0004192200000000, -0.0000781700000000 ] - [ 0.0020067400000000, -0.0007571500000000, -0.0001616400000000 ] - [ -0.0002093400000000, 0.0005692900000000, 0.0003241500000000 ] - [ -0.0009534800000000, -0.0006519700000000, 0.0004826600000000 ] - [ 0.1062012000000000, -0.0321796300000000, -0.0082834000000000 ] - [ 0.0009735600000000, -0.0006001200000000, 0.0002327800000000 ] - [ 0.0005584200000000, -0.0012318100000000, -0.0005427200000000 ] - [ 0.0013571900000000, -0.0000038600000000, -0.0003063200000000 ] - [ -0.0036754600000000, 0.0010841400000000, 0.0022371200000000 ] - [ -0.0002444000000000, -0.0008463400000000, 0.0001237100000000 ] - [ -0.0006800000000000, 0.0043047700000000, -0.0015352900000000 ] - [ -0.0034194900000000, -0.0084707900000000, -0.0015572400000000 ] - [ 0.0015002700000000, -0.0011459400000000, 0.0013999400000000 ] - [ 0.0001317800000000, -0.0000500000000000, -0.0001957300000000 ] - [ -0.0011600900000000, -0.0003425600000000, -0.0031128800000000 ] - [ -0.0004805700000000, 0.0008629200000000, -0.0001256300000000 ] - [ -0.0031396200000000, -0.0061899000000000, -0.0044525800000000 ] - [ -0.0013831600000000, 0.0026971400000000, -0.0015533300000000 ] - [ -0.0018221400000000, -0.0009736900000000, 0.0001452700000000 ] - [ -0.0007724700000000, 0.0002634600000000, 0.0000260600000000 ] - [ 0.0030263000000000, -0.0016389100000000, 0.0002684000000000 ] - [ 0.0020170800000000, 0.0014716600000000, 0.0002758000000000 ] - [ 0.0009792200000000, -0.0002011800000000, -0.0004469000000000 ] - [ 0.0002265800000000, 0.0005125900000000, -0.0003446200000000 ] - [ 0.0024471200000000, 0.0008583100000000, 0.0003587300000000 ] - [ 0.0018727100000000, -0.0015729400000000, 0.0006446400000000 ] - [ 0.0014670600000000, 0.0027644800000000, 0.0016498900000000 ] - [ 0.0006857500000000, 0.0003357200000000, 0.0007892500000000 ] - [ 0.0560492600000000, 0.0268999900000000, 0.0105766000000000 ] - [ -0.0003477700000000, -0.0009358100000000, 0.0008532900000000 ] - [ -0.0010534900000000, 0.0000861800000000, -0.0007783900000000 ] - [ -0.0000084100000000, 0.0028358500000000, -0.0004082500000000 ] - [ -0.0135139700000000, -0.0082312100000000, 0.0002349200000000 ] - [ -0.0029641300000000, 0.0038497500000000, 0.0001172600000000 ] - [ 0.0062484300000000, -0.0025320100000000, -0.0021279700000000 ] - [ 0.0021340600000000, 0.0019651900000000, -0.0003800300000000 ] - [ 0.0022343900000000, 0.0016469800000000, 0.0000874000000000 ] - [ 0.0044289700000000, -0.0020919000000000, -0.0000081400000000 ] - [ 0.0546361100000000, 0.0173371500000000, -0.0062814300000000 ] - [ 0.0003115100000000, -0.0006259400000000, -0.0004841100000000 ] - [ -0.0140745000000000, -0.0143644800000000, 0.0164344500000000 ] - [ -0.0018410300000000, 0.0038106100000000, 0.0005350900000000 ] - [ -0.3590112000000000, 0.0017698100000000, -0.0155496800000000 ] - [ -0.0025880500000000, 0.0013540900000000, -0.0020273700000000 ] - [ 0.0032245500000000, -0.0004120100000000, -0.0020034100000000 ] - [ 0.0031207200000000, 0.0006450500000000, -0.0016325300000000 ] - [ 0.0225208400000000, 0.0024066100000000, 0.0021010900000000 ] - [ 0.0022562400000000, 0.0007042200000000, 0.0014116000000000 ] - [ 0.0040595200000000, 0.0133003600000000, 0.0218202800000000 ] - [ -0.0009075300000000, -0.0017878000000000, 0.0012266200000000 ] - [ 0.0115805600000000, 0.0016875900000000, -0.0048840400000000 ] - [ 0.0015932600000000, -0.0002444800000000, -0.0005487900000000 ] - [ 0.0013028500000000, -0.0020325500000000, -0.0015014900000000 ] - [ 0.0088278000000000, 0.0029008000000000, -0.0094560200000000 ] - [ -0.0031280400000000, 0.0077977000000000, 0.0201931200000000 ] - [ -0.0016635500000000, 0.0007861700000000, 0.0004207100000000 ] - [ -0.0035603100000000, 0.0020253100000000, 0.0023674600000000 ] - [ -0.0035637300000000, 0.0014193800000000, 0.0030215700000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009866700000000, 0.0000836300000000, -0.0011299800000000 ] - [ 0.0014770300000000, 0.0007153400000000, -0.0013171400000000 ] - [ -0.0245408900000000, -0.0127549000000000, -0.0123363600000000 ] - [ -0.0011532800000000, 0.0001737200000000, -0.0004913400000000 ] - [ -0.0011044400000000, 0.0014746900000000, 0.0034459300000000 ] - [ -0.0010806000000000, 0.0000696100000000, 0.0014730800000000 ] - [ 0.0061421000000000, -0.0001729000000000, 0.0020457000000000 ] - [ 0.0007834900000000, 0.0001078600000000, 0.0003697000000000 ] - [ -0.0285323400000000, -0.0101586300000000, -0.0132455400000000 ] - [ -0.0016187700000000, -0.0001446100000000, -0.0007109800000000 ] - [ 0.0020688800000000, -0.0000288300000000, -0.0008027400000000 ] - [ 0.0012362100000000, 0.0002349000000000, -0.0007194100000000 ] - [ 0.0060467200000000, -0.0002747700000000, 0.0012237200000000 ] - [ 0.0012706100000000, -0.0004183400000000, 0.0006152600000000 ] - [ -0.0012767000000000, 0.0006894900000000, 0.0008798600000000 ] - [ -0.0032700400000000, 0.0013040600000000, 0.0037671000000000 ] - [ 0.0019528500000000, -0.0010467600000000, -0.0013819700000000 ] - [ 0.0011862000000000, 0.0002033100000000, -0.0004147300000000 ] - [ -0.0269204600000000, -0.0190150300000000, 0.0108759600000000 ] - [ -0.0015263800000000, 0.0012340700000000, -0.0010253200000000 ] - [ -0.0024432300000000, -0.0002922800000000, 0.0007364100000000 ] - [ -0.0009199000000000, 0.0010732500000000, 0.0009685000000000 ] - [ 0.0008296300000000, 0.0001863700000000, 0.0010246100000000 ] - [ 0.0041385700000000, -0.0004574900000000, 0.0009366200000000 ] - [ -0.0268423700000000, -0.0130343300000000, 0.0080883600000000 ] - [ -0.0016233000000000, 0.0009609200000000, -0.0009146300000000 ] - [ 0.0013379600000000, 0.0003427400000000, -0.0003452100000000 ] - [ 0.0021926200000000, -0.0000629500000000, -0.0005324000000000 ] - [ 0.0045841100000000, -0.0002432500000000, 0.0006558800000000 ] - [ 0.0008647200000000, 0.0006191400000000, 0.0006708500000000 ] - [ 0.0172182200000000, -0.0014005800000000, 0.0013529800000000 ] - [ 0.0009911600000000, 0.0004876300000000, 0.0001602700000000 ] - [ -0.0017558000000000, 0.0000541700000000, -0.0008733200000000 ] - [ -0.0010208200000000, 0.0006457400000000, 0.0004177500000000 ] - [ -0.0040533100000000, 0.0005101000000000, -0.0001942500000000 ] - [ -0.0013950100000000, 0.0039023400000000, 0.0011433500000000 ] - [ -0.0023895800000000, -0.0028116900000000, 0.0070253900000000 ] - [ -0.0001096000000000, 0.0013422600000000, 0.0000820100000000 ] - [ 0.0023770000000000, 0.0025295900000000, -0.0004399900000000 ] - [ 0.0012159800000000, -0.0009218600000000, -0.0004524100000000 ] - [ -0.0010702800000000, 0.0036626300000000, 0.0014019800000000 ] - [ -0.0033661200000000, -0.0024932000000000, 0.0025685500000000 ] - [ 0.0028131500000000, -0.0025855500000000, -0.0010391600000000 ] - [ 0.0002806200000000, 0.0009485800000000, -0.0002317600000000 ] - [ 0.0020879200000000, -0.0020138800000000, -0.0016026500000000 ] - [ 0.0023292400000000, 0.0031364100000000, -0.0016636100000000 ] - [ -0.0045531400000000, -0.0055344900000000, 0.0027088200000000 ] - [ -0.0004919900000000, 0.0014170800000000, -0.0001499800000000 ] - [ 0.0058347800000000, 0.0098528800000000, 0.0076262800000000 ] - [ -0.0000716900000000, -0.0009775300000000, 0.0003708500000000 ] - [ 0.0012451700000000, 0.0009065700000000, -0.0013826200000000 ] - [ 0.0004137800000000, 0.0001961800000000, 0.0001389100000000 ] - [ 0.0000979400000000, -0.0014226500000000, 0.0000700900000000 ] - [ 0.0094937200000000, 0.0094510700000000, -0.0075164300000000 ] - [ -0.0001608300000000, 0.0010495100000000, 0.0023760900000000 ] - [ -0.0000572300000000, 0.0002198200000000, 0.0001329800000000 ] - [ -0.0006043700000000, -0.0004317600000000, -0.0008999500000000 ] - [ -0.0003748200000000, 0.0010789700000000, -0.0020833000000000 ] - [ 0.0023000800000000, 0.0075188400000000, 0.0110832900000000 ] - [ -0.0001783500000000, 0.0001637900000000, 0.0005213800000000 ] - [ 0.0012137600000000, 0.0017458500000000, 0.0030026900000000 ] - [ 0.0005298200000000, 0.0002110000000000, 0.0009894500000000 ] - [ 0.0114470000000000, 0.0061340900000000, -0.0104374200000000 ] - [ 0.0003286200000000, -0.0003798200000000, -0.0001925400000000 ] - [ -0.0857823700000000, 0.0302770100000000, 0.0083445400000000 ] - [ -0.0011953400000000, 0.0007735800000000, -0.0002070700000000 ] - [ 0.0026526400000000, 0.0004616700000000, 0.0002466400000000 ] - [ 0.0018077800000000, -0.0002687600000000, 0.0000190300000000 ] - [ 0.0176837600000000, 0.0004207100000000, -0.0005397100000000 ] - [ 0.0003295800000000, 0.0000473900000000, 0.0003600100000000 ] - [ -0.0018134100000000, -0.0000822100000000, 0.0002725900000000 ] - [ -0.0010949800000000, 0.0010852400000000, 0.0003553700000000 ] - [ 0.0005683400000000, -0.0002167100000000, -0.0001494100000000 ] - [ 0.0013165600000000, 0.0010148000000000, -0.0003102400000000 ] - [ -0.1145931800000000, 0.0342077400000000, 0.0088731000000000 ] - [ -0.0013437000000000, 0.0002468200000000, -0.0000542800000000 ] - [ -0.0001684200000000, 0.0008721600000000, 0.0007153900000000 ] - [ -0.0009608000000000, -0.0003644500000000, 0.0004790400000000 ] - [ 0.0037226600000000, -0.0013114300000000, -0.0022580100000000 ] - [ 0.0002766500000000, 0.0006302600000000, -0.0001327000000000 ] - [ 0.0011752900000000, -0.0046900400000000, 0.0011371500000000 ] - [ 0.0039183800000000, 0.0080369100000000, 0.0011607700000000 ] - [ -0.0018509600000000, 0.0003428000000000, -0.0017714700000000 ] - [ -0.0004809800000000, -0.0007588800000000, -0.0001674600000000 ] - [ 0.0007948400000000, 0.0011495000000000, 0.0027372800000000 ] - [ 0.0001241900000000, -0.0000550500000000, -0.0002380100000000 ] - [ 0.0035127800000000, 0.0070377100000000, 0.0041043200000000 ] - [ 0.0017577900000000, -0.0018918500000000, 0.0011929100000000 ] - [ 0.0013064000000000, 0.0005781400000000, -0.0005427300000000 ] - [ 0.0002494000000000, -0.0006598500000000, -0.0004221000000000 ] - [ -0.0025002600000000, 0.0020401000000000, -0.0006661600000000 ] - [ -0.0014982700000000, -0.0010867700000000, -0.0006749000000000 ] - [ -0.0015034600000000, 0.0005961900000000, 0.0000518000000000 ] - [ -0.0007517900000000, -0.0001165800000000, -0.0000513500000000 ] - [ -0.0020880900000000, -0.0016543800000000, -0.0007177900000000 ] - [ -0.0015222000000000, 0.0007580300000000, -0.0010094600000000 ] - [ -0.0013070400000000, -0.0026915300000000, -0.0014596600000000 ] - [ -0.0005230900000000, -0.0002712500000000, -0.0006039400000000 ] - [ -0.0568701400000000, -0.0268936500000000, -0.0104745300000000 ] - [ 0.0001814800000000, 0.0009913900000000, -0.0006761400000000 ] - [ 0.0012508000000000, -0.0001501900000000, 0.0009731700000000 ] - [ 0.0002019800000000, -0.0029017500000000, 0.0006044100000000 ] - [ 0.0133438000000000, 0.0083715900000000, -0.0003011200000000 ] - [ 0.0027016900000000, -0.0036704200000000, -0.0002505300000000 ] - [ -0.0059915800000000, 0.0023795400000000, 0.0019934400000000 ] - [ -0.0018787600000000, -0.0021500100000000, 0.0002452300000000 ] - [ -0.0024927500000000, -0.0018063500000000, -0.0002262100000000 ] - [ -0.0046936400000000, 0.0019064700000000, -0.0001378800000000 ] - [ -0.0542498200000000, -0.0174832900000000, 0.0063794000000000 ] - [ -0.0005020800000000, 0.0005700800000000, 0.0006748300000000 ] - [ 0.0141616800000000, 0.0145215700000000, -0.0165513700000000 ] - [ 0.0020958400000000, -0.0036456100000000, -0.0006721600000000 ] - [ 0.3604957000000000, -0.0016873300000000, 0.0159901800000000 ] - [ 0.0023048200000000, -0.0014833200000000, 0.0019677000000000 ] - [ -0.0029322000000000, 0.0005468700000000, 0.0019482800000000 ] - [ -0.0028380700000000, -0.0005243100000000, 0.0015766700000000 ] - [ -0.0228056100000000, -0.0022799000000000, -0.0021585700000000 ] - [ -0.0025415600000000, -0.0005747200000000, -0.0014704700000000 ] - [ -0.0042614000000000, -0.0130467700000000, -0.0218294400000000 ] - [ 0.0008411700000000, 0.0019418000000000, -0.0013881000000000 ] - [ -0.0114808200000000, -0.0018269300000000, 0.0046738900000000 ] - [ -0.0015497600000000, 0.0000824200000000, 0.0003806700000000 ] - [ -0.0013470700000000, 0.0018824000000000, 0.0013395700000000 ] - [ -0.0089175600000000, -0.0030748400000000, 0.0093711200000000 ] - [ 0.0033279300000000, -0.0076736800000000, -0.0204017400000000 ] - [ 0.0017281200000000, -0.0006372900000000, -0.0005825100000000 ] - [ 0.0038456600000000, -0.0021781400000000, -0.0024184900000000 ] - [ 0.0038427500000000, -0.0015227900000000, -0.0030763300000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003767600000000, -0.0002761800000000, 0.0001141700000000 ] - [ -0.0004038500000000, 0.0004584400000000, -0.0002254400000000 ] - [ 0.0077848500000000, 0.0764211800000000, 0.0407144200000000 ] - [ 0.0001559000000000, -0.0047511900000000, -0.0005814200000000 ] - [ -0.0012839600000000, -0.0016183400000000, -0.0065785700000000 ] - [ 0.0005796800000000, -0.0026486400000000, -0.0003211900000000 ] - [ 0.0000697500000000, 0.0010108500000000, -0.0001383100000000 ] - [ 0.0001878800000000, -0.0006214800000000, 0.0003442300000000 ] - [ 0.0013916800000000, 0.0694408200000000, 0.0405972700000000 ] - [ -0.0001291900000000, -0.0044757700000000, -0.0005603100000000 ] - [ 0.0001912300000000, 0.0005516700000000, -0.0004174500000000 ] - [ 0.0000179800000000, -0.0007548100000000, 0.0003310600000000 ] - [ -0.0001366500000000, 0.0005916000000000, 0.0000555500000000 ] - [ 0.0002168300000000, -0.0007398900000000, 0.0002479500000000 ] - [ 0.0004571100000000, -0.0027826200000000, -0.0000969600000000 ] - [ 0.0019997300000000, -0.0016477800000000, -0.0067610100000000 ] - [ 0.0001096500000000, 0.0005201500000000, 0.0005561600000000 ] - [ 0.0003057400000000, -0.0009877200000000, -0.0002755500000000 ] - [ 0.0206445600000000, 0.0801779900000000, -0.0489977000000000 ] - [ -0.0003012800000000, -0.0046421000000000, 0.0012487100000000 ] - [ 0.0019753300000000, -0.0024056400000000, 0.0080634900000000 ] - [ 0.0004414200000000, -0.0019394400000000, 0.0001258900000000 ] - [ 0.0000427900000000, -0.0007421900000000, 0.0000844900000000 ] - [ -0.0002665800000000, 0.0003173400000000, 0.0002751300000000 ] - [ 0.0160430600000000, 0.0715703800000000, -0.0502874800000000 ] - [ -0.0002483100000000, -0.0045879600000000, 0.0008059700000000 ] - [ 0.0005915300000000, -0.0002576200000000, -0.0003533600000000 ] - [ -0.0000903700000000, 0.0003233500000000, 0.0001362400000000 ] - [ -0.0001379500000000, 0.0012495900000000, 0.0003647400000000 ] - [ -0.0001540200000000, -0.0007442100000000, -0.0003724800000000 ] - [ 0.0046806600000000, 0.0022942300000000, 0.0003200900000000 ] - [ -0.0001496500000000, -0.0010308400000000, 0.0002643900000000 ] - [ -0.0006297700000000, -0.0027406500000000, 0.0093508800000000 ] - [ 0.0005762700000000, -0.0024160800000000, -0.0000061700000000 ] - [ 0.0052011000000000, -0.0068354200000000, 0.0047208500000000 ] - [ -0.0011364500000000, -0.0079811800000000, -0.0027713700000000 ] - [ 0.0034252100000000, 0.0174426300000000, 0.0002888800000000 ] - [ -0.0008205200000000, -0.0049238700000000, 0.0000549700000000 ] - [ -0.0002953300000000, 0.0000854700000000, -0.0001074300000000 ] - [ 0.0003937700000000, -0.0002735300000000, 0.0000299300000000 ] - [ -0.0021829100000000, -0.0081673800000000, -0.0023138200000000 ] - [ 0.0066611700000000, -0.0070536200000000, 0.0026735900000000 ] - [ -0.0004534300000000, 0.0016077100000000, -0.0003678500000000 ] - [ 0.0001249800000000, -0.0013028200000000, -0.0002043600000000 ] - [ 0.0011446800000000, 0.0007385100000000, -0.0003815700000000 ] - [ -0.0005191900000000, -0.0011923200000000, -0.0003990500000000 ] - [ 0.0045441400000000, 0.0177040200000000, 0.0015592800000000 ] - [ -0.0008707300000000, -0.0053768000000000, -0.0004378600000000 ] - [ -0.0078663800000000, 0.0079089100000000, 0.0051770600000000 ] - [ 0.0005363000000000, -0.0027728800000000, -0.0007323500000000 ] - [ -0.0008873000000000, 0.0011245600000000, -0.0011102900000000 ] - [ 0.0008638200000000, -0.0010616800000000, 0.0009966700000000 ] - [ 0.0007961000000000, -0.0014246200000000, 0.0001041100000000 ] - [ -0.0024637700000000, 0.0043516600000000, 0.0003054100000000 ] - [ -0.0006587700000000, 0.0017854300000000, 0.0002395700000000 ] - [ 0.0010947800000000, -0.0018693200000000, 0.0008133400000000 ] - [ 0.0013905900000000, -0.0010993700000000, 0.0003690900000000 ] - [ -0.0021546400000000, -0.0001285800000000, 0.0005042100000000 ] - [ -0.0084329600000000, 0.0063863200000000, 0.0034348800000000 ] - [ 0.0008082300000000, -0.0017047300000000, -0.0006224900000000 ] - [ -0.0016852500000000, 0.0013414800000000, -0.0005192600000000 ] - [ 0.0012147700000000, -0.0011777300000000, 0.0008829000000000 ] - [ 0.0010746200000000, 0.0043414100000000, -0.0024088800000000 ] - [ 0.0002326100000000, -0.0012427000000000, 0.0002519400000000 ] - [ -0.0282696500000000, 0.0378276600000000, 0.0031806600000000 ] - [ -0.0011456700000000, -0.0028479900000000, 0.0002102800000000 ] - [ -0.0006504600000000, -0.0001515900000000, -0.0002094400000000 ] - [ 0.0014415400000000, -0.0002280800000000, 0.0002800900000000 ] - [ 0.0031063300000000, 0.0022214400000000, 0.0008557900000000 ] - [ 0.0000461200000000, -0.0011781900000000, -0.0000165200000000 ] - [ 0.0032789400000000, -0.0001843000000000, 0.0004658200000000 ] - [ -0.0013917000000000, -0.0011770400000000, -0.0002990000000000 ] - [ 0.0016932100000000, 0.0005889400000000, 0.0000665100000000 ] - [ -0.0011930500000000, -0.0003782900000000, 0.0002268200000000 ] - [ -0.0264691300000000, 0.0350350700000000, 0.0047042100000000 ] - [ -0.0006731700000000, -0.0027509200000000, -0.0001688200000000 ] - [ -0.0025243700000000, -0.0012698200000000, 0.0000654600000000 ] - [ 0.0031637800000000, -0.0012477400000000, -0.0000347600000000 ] - [ -0.0004228100000000, 0.0022900000000000, -0.0000890300000000 ] - [ 0.0005721200000000, -0.0018446700000000, -0.0001209800000000 ] - [ 0.0056216300000000, 0.0085043900000000, -0.0010746700000000 ] - [ -0.0066610500000000, 0.0094031400000000, 0.0011423400000000 ] - [ -0.0000516400000000, -0.0016079700000000, 0.0001542100000000 ] - [ -0.0003224700000000, 0.0005844900000000, -0.0002191500000000 ] - [ -0.0003779000000000, -0.0029454400000000, 0.0001886700000000 ] - [ 0.0000326900000000, 0.0020569800000000, -0.0000996500000000 ] - [ -0.0060087200000000, 0.0063917300000000, 0.0035593600000000 ] - [ 0.0035780900000000, 0.0052966500000000, -0.0019043900000000 ] - [ -0.0005088700000000, -0.0035994000000000, -0.0003655200000000 ] - [ -0.0002052300000000, 0.0017025700000000, -0.0001522300000000 ] - [ -0.0005107100000000, 0.0001648900000000, -0.0001512900000000 ] - [ 0.0007938200000000, 0.0007026800000000, -0.0003752400000000 ] - [ -0.0002023700000000, -0.0005965900000000, -0.0001968600000000 ] - [ -0.0002822900000000, 0.0009574500000000, -0.0001467700000000 ] - [ 0.0012353100000000, -0.0000701600000000, -0.0002084900000000 ] - [ -0.0007807100000000, -0.0001260800000000, -0.0001114300000000 ] - [ 0.0036009600000000, -0.0010978700000000, 0.0011196100000000 ] - [ -0.0021906100000000, 0.0014911100000000, -0.0005940500000000 ] - [ 0.0048728800000000, -0.0177543300000000, -0.0071765200000000 ] - [ -0.0002956600000000, 0.0030919900000000, 0.0007855200000000 ] - [ -0.0027266000000000, 0.0006387000000000, -0.0004882500000000 ] - [ 0.0028628500000000, 0.0001966800000000, -0.0000465600000000 ] - [ -0.0192955600000000, 0.0000161000000000, -0.0372937900000000 ] - [ -0.0013518700000000, 0.0088804400000000, 0.0011913300000000 ] - [ 0.0000666500000000, -0.0021051200000000, -0.0000290700000000 ] - [ -0.0000807400000000, 0.0019676900000000, 0.0002900400000000 ] - [ -0.0005086800000000, 0.0010669600000000, 0.0001657400000000 ] - [ 0.0002615400000000, -0.0010542400000000, 0.0001214900000000 ] - [ -0.0045482900000000, -0.0202713700000000, -0.0014004200000000 ] - [ 0.0003176100000000, 0.0035350300000000, 0.0003298400000000 ] - [ -0.0285703300000000, -0.0013186000000000, -0.0293137900000000 ] - [ -0.0002577000000000, 0.0087592700000000, 0.0013896000000000 ] - [ 0.0010800300000000, -0.3830119000000000, 0.0170880800000000 ] - [ 0.0012771600000000, 0.0102742700000000, -0.0004855900000000 ] - [ -0.0003426200000000, -0.0004078200000000, 0.0002135900000000 ] - [ 0.0007254300000000, 0.0007783600000000, -0.0000164200000000 ] - [ -0.0024817500000000, -0.0037523200000000, 0.0000325100000000 ] - [ -0.0007786300000000, 0.0018781500000000, -0.0001567500000000 ] - [ 0.0330070200000000, -0.0040096800000000, 0.0196642200000000 ] - [ -0.0018545000000000, 0.0105667400000000, -0.0005643400000000 ] - [ 0.0005058800000000, -0.0018733900000000, 0.0008934500000000 ] - [ -0.0006637300000000, 0.0017965000000000, -0.0009275200000000 ] - [ -0.0020779100000000, 0.0015698000000000, -0.0003106400000000 ] - [ 0.0029343200000000, -0.0015724200000000, -0.0000571800000000 ] - [ 0.0212543700000000, -0.0063243000000000, 0.0300144800000000 ] - [ -0.0013552800000000, 0.0111736000000000, -0.0010645900000000 ] - [ -0.0013227500000000, 0.0069906300000000, -0.0007615600000000 ] - [ -0.0019631500000000, 0.0070115800000000, 0.0001740700000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002475200000000, 0.0004806000000000, -0.0002089600000000 ] - [ 0.0005303900000000, -0.0002590800000000, 0.0001343200000000 ] - [ -0.0089502400000000, -0.0795931000000000, -0.0440881200000000 ] - [ -0.0002757700000000, 0.0045338100000000, 0.0005008500000000 ] - [ 0.0014049400000000, 0.0014233400000000, 0.0065187300000000 ] - [ -0.0004510700000000, 0.0024382000000000, 0.0002177800000000 ] - [ -0.0002004200000000, -0.0008017900000000, 0.0000370300000000 ] - [ -0.0003148400000000, 0.0008225200000000, -0.0004342400000000 ] - [ -0.0007432800000000, -0.0667910600000000, -0.0377072900000000 ] - [ -0.0001192200000000, 0.0046702700000000, 0.0005424700000000 ] - [ 0.0000509700000000, -0.0007315200000000, 0.0004057000000000 ] - [ 0.0002207800000000, 0.0005709900000000, -0.0003387700000000 ] - [ -0.0000944500000000, -0.0007817400000000, -0.0000559700000000 ] - [ -0.0004562800000000, 0.0005601600000000, -0.0002585800000000 ] - [ -0.0002219200000000, 0.0029717800000000, 0.0000957600000000 ] - [ -0.0017370900000000, 0.0018277800000000, 0.0067412300000000 ] - [ 0.0002774500000000, -0.0009645400000000, -0.0001461800000000 ] - [ 0.0000803200000000, 0.0005378600000000, 0.0006809200000000 ] - [ -0.0201804400000000, -0.0767923600000000, 0.0460754100000000 ] - [ -0.0000764600000000, 0.0051029400000000, -0.0008234300000000 ] - [ -0.0015899600000000, 0.0028501100000000, -0.0076316100000000 ] - [ -0.0000606900000000, 0.0023949700000000, 0.0002801400000000 ] - [ -0.0004247100000000, 0.0003001200000000, 0.0003338800000000 ] - [ -0.0001149200000000, -0.0007746300000000, 0.0001283700000000 ] - [ -0.0170211900000000, -0.0741316200000000, 0.0534558400000000 ] - [ -0.0002905300000000, 0.0043737800000000, -0.0008224200000000 ] - [ -0.0000559600000000, 0.0004645400000000, 0.0003446200000000 ] - [ 0.0006227200000000, -0.0001208800000000, -0.0001457100000000 ] - [ -0.0003881400000000, -0.0010370900000000, -0.0003581800000000 ] - [ -0.0003737400000000, 0.0009467500000000, 0.0003675100000000 ] - [ -0.0050001600000000, -0.0019435600000000, -0.0001318200000000 ] - [ -0.0002345100000000, 0.0013875100000000, -0.0000847000000000 ] - [ 0.0011675100000000, 0.0025352700000000, -0.0093749900000000 ] - [ -0.0000455600000000, 0.0022043600000000, 0.0000081900000000 ] - [ -0.0052518700000000, 0.0070532800000000, -0.0047026500000000 ] - [ 0.0010942400000000, 0.0081319700000000, 0.0027687500000000 ] - [ -0.0033830900000000, -0.0172419100000000, -0.0002881100000000 ] - [ 0.0008535100000000, 0.0051445900000000, -0.0000600900000000 ] - [ 0.0002588500000000, -0.0002935600000000, 0.0001075200000000 ] - [ -0.0004293600000000, 0.0000510300000000, -0.0000313200000000 ] - [ 0.0024829900000000, 0.0081445600000000, 0.0018406900000000 ] - [ -0.0063682500000000, 0.0069886800000000, -0.0031575000000000 ] - [ 0.0001616300000000, -0.0015461900000000, -0.0000873000000000 ] - [ -0.0004188300000000, 0.0013756400000000, -0.0002452600000000 ] - [ -0.0008504900000000, -0.0006664000000000, -0.0000671300000000 ] - [ 0.0008106000000000, 0.0012470600000000, -0.0000507900000000 ] - [ -0.0048311500000000, -0.0177517700000000, -0.0019987100000000 ] - [ 0.0005823000000000, 0.0053038200000000, -0.0000064900000000 ] - [ 0.0073466100000000, -0.0079053600000000, -0.0047358300000000 ] - [ -0.0010350900000000, 0.0027397700000000, 0.0011757200000000 ] - [ 0.0013788900000000, -0.0010878700000000, 0.0015508100000000 ] - [ -0.0003704400000000, 0.0010867500000000, -0.0005423600000000 ] - [ -0.0012792600000000, 0.0014436800000000, 0.0003473600000000 ] - [ 0.0019874600000000, -0.0043620500000000, 0.0001528000000000 ] - [ 0.0011546700000000, -0.0018186700000000, 0.0002113000000000 ] - [ -0.0006029900000000, 0.0018314200000000, -0.0003683700000000 ] - [ -0.0015251900000000, 0.0006414400000000, -0.0001235100000000 ] - [ 0.0020169800000000, -0.0003314700000000, -0.0002607900000000 ] - [ 0.0085651000000000, -0.0059558500000000, -0.0032205300000000 ] - [ -0.0006669300000000, 0.0021545900000000, 0.0008534200000000 ] - [ 0.0015425800000000, -0.0008848700000000, 0.0007560300000000 ] - [ -0.0013575800000000, 0.0016308000000000, -0.0006575800000000 ] - [ -0.0009326600000000, -0.0047736400000000, 0.0026295800000000 ] - [ -0.0001027400000000, 0.0007844000000000, -0.0000010000000000 ] - [ 0.0278837000000000, -0.0374795500000000, -0.0030303000000000 ] - [ 0.0002200100000000, 0.0031702700000000, -0.0000139200000000 ] - [ 0.0015720900000000, -0.0001751800000000, 0.0004045000000000 ] - [ -0.0005097500000000, -0.0000912100000000, -0.0000843000000000 ] - [ -0.0040935000000000, -0.0025492900000000, -0.0006559500000000 ] - [ -0.0009756200000000, 0.0008599100000000, 0.0002144300000000 ] - [ -0.0023738900000000, 0.0005141700000000, -0.0002683600000000 ] - [ 0.0023073100000000, 0.0014983300000000, 0.0004947300000000 ] - [ -0.0013108600000000, -0.0002250700000000, 0.0001102500000000 ] - [ 0.0015693600000000, 0.0007395600000000, -0.0000499900000000 ] - [ 0.0260071000000000, -0.0355592400000000, -0.0045252000000000 ] - [ 0.0003186200000000, 0.0024072300000000, 0.0003521300000000 ] - [ 0.0029060400000000, 0.0009200200000000, 0.0001132300000000 ] - [ -0.0027885700000000, 0.0008910500000000, 0.0002131000000000 ] - [ 0.0004483000000000, -0.0025023800000000, 0.0000915900000000 ] - [ -0.0005397400000000, 0.0016303800000000, 0.0001176900000000 ] - [ -0.0050242700000000, -0.0088133300000000, 0.0006515000000000 ] - [ 0.0072951000000000, -0.0099113000000000, -0.0015636300000000 ] - [ -0.0002984200000000, 0.0008015300000000, -0.0005076800000000 ] - [ -0.0000267800000000, -0.0013887400000000, -0.0001388200000000 ] - [ 0.0000296300000000, 0.0037539600000000, -0.0005401300000000 ] - [ -0.0003787000000000, -0.0012497700000000, -0.0002592300000000 ] - [ 0.0062954900000000, -0.0055354900000000, -0.0038582500000000 ] - [ -0.0032540900000000, -0.0045138600000000, 0.0015776500000000 ] - [ -0.0000175800000000, 0.0032059900000000, -0.0000380400000000 ] - [ -0.0003249700000000, -0.0020938600000000, -0.0002430300000000 ] - [ 0.0010404000000000, 0.0002191800000000, -0.0002440700000000 ] - [ -0.0002641000000000, -0.0003095100000000, -0.0000222200000000 ] - [ -0.0003264400000000, 0.0009875600000000, -0.0001973900000000 ] - [ -0.0002475100000000, -0.0005668000000000, -0.0002485800000000 ] - [ -0.0008842000000000, -0.0007371600000000, -0.0001458900000000 ] - [ 0.0011333300000000, -0.0006764300000000, -0.0002473900000000 ] - [ -0.0034240900000000, 0.0011609000000000, -0.0009276600000000 ] - [ 0.0023703700000000, -0.0014087200000000, 0.0007907400000000 ] - [ -0.0049829200000000, 0.0179527900000000, 0.0073810600000000 ] - [ 0.0000991500000000, -0.0030175700000000, -0.0005980600000000 ] - [ 0.0029065500000000, -0.0007192000000000, 0.0006750800000000 ] - [ -0.0026825900000000, -0.0002723600000000, 0.0002358000000000 ] - [ 0.0190614100000000, 0.0002099600000000, 0.0370320000000000 ] - [ 0.0010599300000000, -0.0086934600000000, -0.0013515600000000 ] - [ 0.0001994800000000, 0.0019234400000000, -0.0001078800000000 ] - [ 0.0003495300000000, -0.0021313300000000, -0.0004191200000000 ] - [ 0.0002359000000000, -0.0012406400000000, -0.0002997600000000 ] - [ -0.0005293100000000, 0.0008911700000000, -0.0002466900000000 ] - [ 0.0042997900000000, 0.0200978200000000, 0.0015750800000000 ] - [ -0.0004827000000000, -0.0036067800000000, -0.0001478900000000 ] - [ 0.0288456300000000, 0.0015025300000000, 0.0293239700000000 ] - [ 0.0005459700000000, -0.0085970500000000, -0.0015037300000000 ] - [ -0.0022014700000000, 0.3829221500000000, -0.0165845400000000 ] - [ -0.0015612400000000, -0.0103981600000000, 0.0004288100000000 ] - [ 0.0006188200000000, 0.0005275900000000, -0.0002696700000000 ] - [ -0.0004406900000000, -0.0006437900000000, -0.0000390400000000 ] - [ 0.0022027000000000, 0.0038821700000000, -0.0000935600000000 ] - [ 0.0004978900000000, -0.0017503800000000, 0.0000975900000000 ] - [ -0.0330034200000000, 0.0042082800000000, -0.0196991500000000 ] - [ 0.0018139100000000, -0.0104273600000000, 0.0004284300000000 ] - [ -0.0004519100000000, 0.0017122800000000, -0.0010472600000000 ] - [ 0.0007251100000000, -0.0019449400000000, 0.0007560900000000 ] - [ 0.0020113300000000, -0.0017311200000000, 0.0001545100000000 ] - [ -0.0029978700000000, 0.0014293200000000, -0.0001020500000000 ] - [ -0.0212563800000000, 0.0063969000000000, -0.0302926900000000 ] - [ 0.0014052600000000, -0.0110059900000000, 0.0008746500000000 ] - [ 0.0016199100000000, -0.0071397600000000, 0.0006990300000000 ] - [ 0.0022419900000000, -0.0071182100000000, -0.0002273400000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001774700000000, 0.0001813200000000, -0.0004159800000000 ] - [ 0.0002104600000000, 0.0003112400000000, -0.0007170600000000 ] - [ 0.0114435200000000, 0.0462320400000000, 0.0581886200000000 ] - [ 0.0005902100000000, 0.0024902600000000, 0.0026688400000000 ] - [ 0.0015773700000000, -0.0056260000000000, -0.0122836600000000 ] - [ 0.0007320700000000, 0.0009524700000000, -0.0025371600000000 ] - [ 0.0001043400000000, 0.0001988600000000, 0.0007508600000000 ] - [ -0.0003338200000000, -0.0000254300000000, 0.0002017300000000 ] - [ 0.0068409100000000, 0.0442797000000000, 0.0600726300000000 ] - [ 0.0008834500000000, 0.0024888900000000, 0.0024029300000000 ] - [ -0.0004173700000000, 0.0001386600000000, -0.0003309200000000 ] - [ -0.0003041800000000, -0.0001713200000000, -0.0001303700000000 ] - [ -0.0003254600000000, -0.0001025000000000, 0.0004367000000000 ] - [ -0.0005116200000000, -0.0002259400000000, 0.0001125300000000 ] - [ 0.0013318700000000, 0.0014718000000000, -0.0023063500000000 ] - [ 0.0044478600000000, -0.0056576300000000, -0.0116630000000000 ] - [ -0.0002653300000000, -0.0005316400000000, -0.0003380800000000 ] - [ -0.0001917200000000, -0.0002184800000000, 0.0000059600000000 ] - [ -0.0130378000000000, -0.0479147400000000, 0.0613010100000000 ] - [ 0.0009360300000000, -0.0018719800000000, 0.0025643800000000 ] - [ 0.0010923100000000, 0.0066128700000000, -0.0141989900000000 ] - [ 0.0014623300000000, -0.0007340300000000, -0.0022170100000000 ] - [ -0.0005334700000000, -0.0000505100000000, 0.0004753800000000 ] - [ -0.0009721000000000, -0.0002802400000000, 0.0005500500000000 ] - [ -0.0138377100000000, -0.0541970100000000, 0.0742496400000000 ] - [ 0.0009482200000000, -0.0018550100000000, 0.0018886500000000 ] - [ -0.0002402700000000, 0.0001592200000000, -0.0001902600000000 ] - [ -0.0003729700000000, -0.0003578900000000, -0.0005569600000000 ] - [ -0.0009221500000000, 0.0003069700000000, 0.0004834600000000 ] - [ -0.0006396500000000, 0.0002193600000000, 0.0001465000000000 ] - [ 0.0000926600000000, 0.0005984400000000, 0.0012548100000000 ] - [ -0.0007975300000000, 0.0002572300000000, 0.0005499600000000 ] - [ 0.0040966200000000, 0.0049817700000000, -0.0124989900000000 ] - [ 0.0016503600000000, -0.0013805100000000, -0.0018113300000000 ] - [ -0.0053548800000000, 0.0102896700000000, -0.0042444300000000 ] - [ -0.0007741200000000, -0.0072264900000000, -0.0036240400000000 ] - [ -0.0089952300000000, 0.0009609600000000, -0.0053838900000000 ] - [ -0.0000679600000000, -0.0013380800000000, -0.0000669800000000 ] - [ 0.0001751700000000, 0.0001832000000000, -0.0001322400000000 ] - [ -0.0001903400000000, -0.0005803700000000, -0.0001110400000000 ] - [ -0.0024016100000000, -0.0088055300000000, -0.0022823300000000 ] - [ -0.0075150500000000, 0.0109216100000000, -0.0012395900000000 ] - [ 0.0000470800000000, -0.0001562800000000, -0.0006217200000000 ] - [ -0.0003307700000000, 0.0003270100000000, -0.0003073000000000 ] - [ 0.0002145500000000, -0.0003607900000000, -0.0000770100000000 ] - [ 0.0002348800000000, 0.0001002800000000, 0.0000188500000000 ] - [ -0.0052624000000000, 0.0002087000000000, -0.0108214100000000 ] - [ -0.0001350900000000, -0.0013030300000000, -0.0005497700000000 ] - [ -0.0078466200000000, 0.0021565600000000, 0.0088836000000000 ] - [ -0.0011971500000000, 0.0016885200000000, 0.0024465700000000 ] - [ 0.0001179800000000, 0.0004251100000000, -0.0017787700000000 ] - [ -0.0000232600000000, 0.0003061500000000, -0.0007320600000000 ] - [ -0.0003343500000000, -0.0003416100000000, 0.0012320200000000 ] - [ 0.0007096300000000, -0.0006575100000000, 0.0041317600000000 ] - [ -0.0015971400000000, -0.0028557100000000, -0.0045273400000000 ] - [ -0.0007176400000000, 0.0001958200000000, -0.0021834000000000 ] - [ 0.0002557200000000, -0.0005054200000000, -0.0011425900000000 ] - [ 0.0015304100000000, 0.0003823500000000, -0.0021669300000000 ] - [ -0.0095621000000000, 0.0024732900000000, 0.0037625700000000 ] - [ -0.0011055800000000, 0.0015510400000000, 0.0017371600000000 ] - [ -0.0024068400000000, -0.0017382300000000, -0.0028250300000000 ] - [ -0.0016420500000000, 0.0006476500000000, -0.0021157300000000 ] - [ 0.0032276800000000, -0.0003617500000000, 0.0019209200000000 ] - [ 0.0001565100000000, -0.0003019600000000, 0.0008451000000000 ] - [ -0.0092115700000000, 0.0037780700000000, 0.0214941100000000 ] - [ 0.0003390200000000, 0.0004322300000000, 0.0016701100000000 ] - [ -0.0005335500000000, -0.0003708200000000, -0.0007813100000000 ] - [ -0.0004507000000000, -0.0001967600000000, -0.0006163900000000 ] - [ -0.0013692000000000, 0.0004745500000000, 0.0014812000000000 ] - [ -0.0012012000000000, -0.0001245100000000, 0.0006712600000000 ] - [ 0.0009787300000000, 0.0003124700000000, -0.0035387600000000 ] - [ 0.0013577000000000, -0.0001674100000000, -0.0027039600000000 ] - [ -0.0007015700000000, 0.0003818400000000, -0.0008190500000000 ] - [ -0.0004139300000000, -0.0000636700000000, -0.0009028300000000 ] - [ -0.0045627900000000, 0.0039251600000000, 0.0219134400000000 ] - [ 0.0002105600000000, 0.0001442200000000, 0.0016027800000000 ] - [ 0.0010047000000000, -0.0008579900000000, -0.0025787300000000 ] - [ 0.0005099800000000, -0.0001569100000000, -0.0024183800000000 ] - [ 0.0007185500000000, -0.0000319200000000, 0.0002029700000000 ] - [ -0.0000964900000000, 0.0000170800000000, 0.0000122600000000 ] - [ -0.0017308000000000, -0.0020389700000000, -0.0068169300000000 ] - [ -0.0017561400000000, 0.0018156700000000, -0.0061812800000000 ] - [ 0.0017610700000000, -0.0004822600000000, 0.0008959700000000 ] - [ 0.0003823500000000, -0.0004454200000000, 0.0000306200000000 ] - [ -0.0032912400000000, 0.0008814700000000, 0.0036198800000000 ] - [ -0.0008386700000000, 0.0002923900000000, 0.0002517300000000 ] - [ -0.0044261100000000, 0.0049279500000000, -0.0019335500000000 ] - [ -0.0030631400000000, -0.0033581800000000, -0.0019216300000000 ] - [ -0.0016985500000000, 0.0001470800000000, 0.0060737100000000 ] - [ -0.0007453800000000, -0.0003148700000000, 0.0008791600000000 ] - [ 0.0007246300000000, 0.0000563000000000, -0.0007145900000000 ] - [ 0.0007826700000000, 0.0004143700000000, -0.0007834300000000 ] - [ 0.0004294500000000, 0.0001841200000000, 0.0005257700000000 ] - [ 0.0000417600000000, 0.0001996400000000, 0.0000421600000000 ] - [ 0.0013728000000000, 0.0000365900000000, -0.0004043000000000 ] - [ 0.0012743200000000, -0.0006419700000000, -0.0006710900000000 ] - [ 0.0009713400000000, 0.0011931300000000, 0.0050110500000000 ] - [ 0.0008245900000000, 0.0002086600000000, 0.0027610500000000 ] - [ 0.0064498000000000, -0.0038679300000000, -0.0128967100000000 ] - [ 0.0004579300000000, -0.0003865800000000, -0.0024496500000000 ] - [ 0.0003349300000000, 0.0005552700000000, 0.0036249100000000 ] - [ 0.0000082000000000, 0.0017608000000000, 0.0057648200000000 ] - [ 0.0109217100000000, -0.0228039700000000, 0.0406318500000000 ] - [ -0.0036491900000000, 0.0057142500000000, 0.0012886300000000 ] - [ 0.0002545900000000, 0.0003828400000000, -0.0001568400000000 ] - [ 0.0004517500000000, -0.0003102800000000, -0.0000192700000000 ] - [ 0.0002058600000000, -0.0004576800000000, -0.0000511100000000 ] - [ 0.0005935700000000, 0.0003681900000000, 0.0000914600000000 ] - [ -0.0060133200000000, -0.0045309700000000, -0.0093736200000000 ] - [ -0.0002979700000000, -0.0011130400000000, -0.0018645100000000 ] - [ 0.0272739800000000, -0.0249385900000000, 0.0356417100000000 ] - [ -0.0029627100000000, 0.0056771700000000, 0.0019091500000000 ] - [ -0.0161780800000000, 0.0170551300000000, -0.3622228600000000 ] - [ -0.0021411400000000, -0.0005203600000000, -0.0079528900000000 ] - [ 0.0021166000000000, -0.0001779100000000, 0.0011872800000000 ] - [ 0.0017449000000000, 0.0000526400000000, 0.0012787200000000 ] - [ 0.0019876200000000, -0.0000001600000000, -0.0022230700000000 ] - [ 0.0012988100000000, 0.0001913200000000, -0.0007493800000000 ] - [ 0.0316448000000000, 0.0181876500000000, 0.0212137600000000 ] - [ 0.0007168900000000, -0.0072010100000000, 0.0008477000000000 ] - [ -0.0009878600000000, -0.0007590600000000, 0.0014493200000000 ] - [ 0.0006476000000000, 0.0002300300000000, 0.0001572200000000 ] - [ 0.0001718500000000, 0.0003296100000000, -0.0001723500000000 ] - [ -0.0016848100000000, -0.0007847300000000, -0.0008873000000000 ] - [ 0.0202076300000000, 0.0178776500000000, 0.0351965500000000 ] - [ 0.0002131900000000, -0.0074063100000000, 0.0010825700000000 ] - [ -0.0029053900000000, 0.0001562800000000, 0.0150712600000000 ] - [ -0.0022443200000000, -0.0008169800000000, 0.0150761600000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0003025900000000, 0.0000235900000000, 0.0003256500000000 ] - [ -0.0000839800000000, -0.0001060200000000, 0.0006275500000000 ] - [ -0.0124013400000000, -0.0493619200000000, -0.0603584900000000 ] - [ -0.0007176900000000, -0.0026955200000000, -0.0027665800000000 ] - [ -0.0014665000000000, 0.0053858000000000, 0.0122021000000000 ] - [ -0.0006107100000000, -0.0011492700000000, 0.0024488700000000 ] - [ -0.0002369200000000, 0.0000135100000000, -0.0008557200000000 ] - [ 0.0002081900000000, 0.0002302000000000, -0.0002965200000000 ] - [ -0.0062326500000000, -0.0412894100000000, -0.0578348900000000 ] - [ -0.0011271800000000, -0.0022973600000000, -0.0024085600000000 ] - [ 0.0006628300000000, -0.0003262800000000, 0.0003188400000000 ] - [ 0.0005491200000000, -0.0000168200000000, 0.0001205100000000 ] - [ 0.0000834500000000, -0.0000905600000000, -0.0004355400000000 ] - [ 0.0002672500000000, 0.0000380800000000, -0.0001199000000000 ] - [ -0.0010852700000000, -0.0012889200000000, 0.0022931200000000 ] - [ -0.0041885700000000, 0.0058845700000000, 0.0116623600000000 ] - [ 0.0006491600000000, 0.0000857200000000, 0.0007519900000000 ] - [ 0.0005774500000000, -0.0002284100000000, 0.0004046700000000 ] - [ 0.0133905500000000, 0.0514351500000000, -0.0631246300000000 ] - [ -0.0013224100000000, 0.0023172200000000, -0.0021577300000000 ] - [ -0.0007130900000000, -0.0061245000000000, 0.0146122900000000 ] - [ -0.0010823100000000, 0.0011755800000000, 0.0026382800000000 ] - [ 0.0001486300000000, -0.0003959800000000, -0.0000659200000000 ] - [ 0.0005862600000000, -0.0001741100000000, -0.0001522300000000 ] - [ 0.0127587900000000, 0.0505184000000000, -0.0712300000000000 ] - [ -0.0014878400000000, 0.0016497900000000, -0.0018962700000000 ] - [ 0.0007768800000000, 0.0000491800000000, 0.0001794600000000 ] - [ 0.0009102900000000, 0.0005668700000000, 0.0005457900000000 ] - [ 0.0003877600000000, -0.0000916400000000, -0.0004793100000000 ] - [ 0.0001085400000000, -0.0000123100000000, -0.0001516300000000 ] - [ -0.0004281100000000, -0.0002412300000000, -0.0010716900000000 ] - [ 0.0004245700000000, 0.0000923600000000, -0.0003688700000000 ] - [ -0.0035529500000000, -0.0052265500000000, 0.0124817000000000 ] - [ -0.0011136600000000, 0.0011793100000000, 0.0017981200000000 ] - [ 0.0052947200000000, -0.0100903400000000, 0.0042351100000000 ] - [ 0.0007229200000000, 0.0073969500000000, 0.0035996900000000 ] - [ 0.0089979800000000, -0.0007618000000000, 0.0053712300000000 ] - [ 0.0001101700000000, 0.0015632700000000, 0.0000708900000000 ] - [ -0.0002181400000000, -0.0003954700000000, 0.0001303300000000 ] - [ 0.0001499800000000, 0.0003656300000000, 0.0001089600000000 ] - [ 0.0027074500000000, 0.0087827700000000, 0.0018383200000000 ] - [ 0.0078058400000000, -0.0109648500000000, 0.0007956700000000 ] - [ -0.0003342600000000, 0.0002203300000000, 0.0001708200000000 ] - [ 0.0000450700000000, -0.0002595900000000, -0.0001411900000000 ] - [ 0.0000727900000000, 0.0004286000000000, -0.0003643500000000 ] - [ 0.0000514600000000, -0.0000418900000000, -0.0004607000000000 ] - [ 0.0050022100000000, -0.0002642100000000, 0.0104215500000000 ] - [ -0.0001489000000000, 0.0012337200000000, 0.0001003700000000 ] - [ 0.0073559300000000, -0.0021728700000000, -0.0084207300000000 ] - [ 0.0007067700000000, -0.0017124600000000, -0.0019953500000000 ] - [ 0.0003685200000000, -0.0004025400000000, 0.0022244200000000 ] - [ 0.0005128100000000, -0.0002769300000000, 0.0011777800000000 ] - [ -0.0001588000000000, 0.0003693500000000, -0.0007799200000000 ] - [ -0.0012128900000000, 0.0006569500000000, -0.0036574000000000 ] - [ 0.0021013100000000, 0.0028501600000000, 0.0049825000000000 ] - [ 0.0012085000000000, -0.0002253300000000, 0.0026279700000000 ] - [ -0.0003894800000000, 0.0000458300000000, 0.0013849800000000 ] - [ -0.0016555700000000, -0.0008307800000000, 0.0024079400000000 ] - [ 0.0096971000000000, -0.0020188200000000, -0.0035650400000000 ] - [ 0.0012410300000000, -0.0010978300000000, -0.0015043200000000 ] - [ 0.0022617600000000, 0.0021787200000000, 0.0030578700000000 ] - [ 0.0015046800000000, -0.0001886700000000, 0.0023571900000000 ] - [ -0.0031020200000000, -0.0000848500000000, -0.0016976700000000 ] - [ -0.0000196100000000, -0.0001529800000000, -0.0006103700000000 ] - [ 0.0077649200000000, -0.0033037900000000, -0.0211906700000000 ] - [ -0.0012598800000000, -0.0001056300000000, -0.0014753300000000 ] - [ 0.0014571400000000, 0.0000424400000000, 0.0009747800000000 ] - [ 0.0013697900000000, -0.0001269400000000, 0.0008110400000000 ] - [ 0.0003960000000000, -0.0008017300000000, -0.0012855400000000 ] - [ 0.0002757500000000, -0.0002013100000000, -0.0004752600000000 ] - [ -0.0000561500000000, -0.0000032400000000, 0.0037337500000000 ] - [ -0.0004336500000000, 0.0005007900000000, 0.0028982000000000 ] - [ 0.0010816500000000, -0.0000347200000000, 0.0010004000000000 ] - [ 0.0007918500000000, 0.0004173300000000, 0.0010827800000000 ] - [ 0.0048388300000000, -0.0044097200000000, -0.0217999300000000 ] - [ -0.0005835500000000, -0.0004978300000000, -0.0014226700000000 ] - [ -0.0006350400000000, 0.0005073200000000, 0.0027592900000000 ] - [ -0.0001390000000000, -0.0001871300000000, 0.0025965500000000 ] - [ -0.0006724800000000, -0.0001793000000000, -0.0001943000000000 ] - [ 0.0001320000000000, -0.0002308700000000, -0.0000106300000000 ] - [ 0.0022676600000000, 0.0016534900000000, 0.0064215700000000 ] - [ 0.0022924600000000, -0.0021949400000000, 0.0057919100000000 ] - [ -0.0021223400000000, -0.0003259100000000, -0.0012563800000000 ] - [ -0.0007308800000000, -0.0003589900000000, -0.0003875900000000 ] - [ 0.0029630100000000, -0.0000743800000000, -0.0039964000000000 ] - [ 0.0004899300000000, 0.0005156500000000, -0.0006095900000000 ] - [ 0.0047613800000000, -0.0041007200000000, 0.0015522400000000 ] - [ 0.0034051100000000, 0.0041542600000000, 0.0015586800000000 ] - [ 0.0011690200000000, -0.0005397300000000, -0.0064593600000000 ] - [ 0.0002131800000000, -0.0000774600000000, -0.0012756100000000 ] - [ -0.0001863100000000, 0.0003284700000000, 0.0003161400000000 ] - [ -0.0002519500000000, -0.0000225100000000, 0.0003900300000000 ] - [ -0.0009564100000000, 0.0002065400000000, -0.0009193900000000 ] - [ -0.0005692200000000, 0.0001915200000000, -0.0004367100000000 ] - [ -0.0010260200000000, -0.0008407000000000, 0.0000464400000000 ] - [ -0.0009251100000000, -0.0001617100000000, 0.0003100100000000 ] - [ -0.0007808800000000, -0.0011191200000000, -0.0048161800000000 ] - [ -0.0006311500000000, -0.0001438800000000, -0.0025691300000000 ] - [ -0.0065389300000000, 0.0039762500000000, 0.0131422900000000 ] - [ -0.0006404500000000, 0.0004563200000000, 0.0026465700000000 ] - [ -0.0001640800000000, -0.0006114500000000, -0.0034365100000000 ] - [ 0.0001655900000000, -0.0018483200000000, -0.0055792700000000 ] - [ -0.0111984400000000, 0.0233342400000000, -0.0409664400000000 ] - [ 0.0033683700000000, -0.0055409200000000, -0.0014031700000000 ] - [ 0.0000095900000000, -0.0005496700000000, 0.0000151300000000 ] - [ -0.0001868900000000, 0.0001429000000000, -0.0001092200000000 ] - [ -0.0004736700000000, 0.0002905200000000, -0.0000732400000000 ] - [ -0.0008579600000000, -0.0005343500000000, -0.0002049000000000 ] - [ 0.0057639500000000, 0.0044229800000000, 0.0095863100000000 ] - [ 0.0001168700000000, 0.0010363300000000, 0.0020597900000000 ] - [ -0.0268301500000000, 0.0247208600000000, -0.0355077000000000 ] - [ 0.0032398900000000, -0.0055222200000000, -0.0020505200000000 ] - [ 0.0153966400000000, -0.0166365700000000, 0.3610852700000000 ] - [ 0.0018591800000000, 0.0003942000000000, 0.0078964300000000 ] - [ -0.0018385800000000, 0.0003043400000000, -0.0012487500000000 ] - [ -0.0014654500000000, 0.0000731900000000, -0.0013398100000000 ] - [ -0.0022684900000000, 0.0001250000000000, 0.0021672300000000 ] - [ -0.0015826100000000, -0.0000648200000000, 0.0006941500000000 ] - [ -0.0315605900000000, -0.0178012100000000, -0.0213208100000000 ] - [ -0.0007714900000000, 0.0073339600000000, -0.0010204000000000 ] - [ 0.0010512900000000, 0.0006017300000000, -0.0016039200000000 ] - [ -0.0005924200000000, -0.0003851900000000, -0.0003172300000000 ] - [ -0.0002301300000000, -0.0004868700000000, -0.0000014700000000 ] - [ 0.0016169000000000, 0.0006259800000000, 0.0006909900000000 ] - [ -0.0202916500000000, -0.0179859400000000, -0.0354604900000000 ] - [ -0.0001568600000000, 0.0075771800000000, -0.0012390700000000 ] - [ 0.0031911900000000, -0.0002450000000000, -0.0151360700000000 ] - [ 0.0025392400000000, 0.0006423800000000, -0.0151317000000000 ]- atom: 119 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0029682300000000, -0.0008453800000000, 0.0012832200000000 ] - [ -0.0009144000000000, 0.0006380400000000, -0.0000300100000000 ] - [ 0.0002511100000000, -0.0020343900000000, -0.0015188500000000 ] - [ -0.0001512300000000, 0.0011306200000000, -0.0000612200000000 ] - [ 0.0531372300000000, 0.0026124300000000, -0.0484321400000000 ] - [ 0.0007556700000000, 0.0000013100000000, 0.0000086800000000 ] - [ -0.0021231700000000, 0.0007191800000000, 0.0002320500000000 ] - [ -0.0002931300000000, -0.0000727500000000, -0.0003147100000000 ] - [ 0.0814173800000000, -0.0021329700000000, 0.0312613900000000 ] - [ 0.0006793900000000, 0.0004235800000000, 0.0001001300000000 ] - [ -0.0024234200000000, 0.0000918200000000, -0.0001862900000000 ] - [ -0.0003839700000000, -0.0002810700000000, 0.0003486800000000 ] - [ -0.0025049400000000, 0.0012017700000000, -0.0007252300000000 ] - [ -0.0019440000000000, -0.0012459500000000, 0.0002611800000000 ] - [ 0.0014929200000000, 0.0012697200000000, 0.0002281600000000 ] - [ 0.0007530500000000, -0.0010548400000000, -0.0006085100000000 ] - [ -0.0042711100000000, -0.0003175300000000, 0.0003007600000000 ] - [ -0.0002427600000000, -0.0003665700000000, 0.0003964400000000 ] - [ -0.0007251800000000, 0.0013609900000000, -0.0110408800000000 ] - [ 0.0001472500000000, 0.0002037700000000, 0.0002646100000000 ] - [ 0.0031610000000000, -0.0005365700000000, -0.0000618700000000 ] - [ 0.0013475500000000, 0.0062353700000000, -0.0005844500000000 ] - [ -0.0009730500000000, -0.0012933600000000, -0.0005767400000000 ] - [ -0.0017437700000000, 0.0006467400000000, 0.0003129600000000 ] - [ 0.0030581100000000, -0.0108278500000000, 0.0035464300000000 ] - [ 0.0018085200000000, 0.0016730800000000, -0.0006082600000000 ] - [ -0.0019224800000000, -0.0009430300000000, -0.0008596600000000 ] - [ -0.0007429100000000, 0.0008938700000000, 0.0006674700000000 ] - [ -0.0051734800000000, 0.0019732200000000, 0.0010751800000000 ] - [ -0.0007176400000000, -0.0002720000000000, -0.0002265600000000 ] - [ -0.0025829800000000, 0.0052894800000000, 0.0020004500000000 ] - [ 0.0008108200000000, -0.0012915600000000, 0.0003559700000000 ] - [ 0.0001614000000000, 0.0008636200000000, 0.0037736200000000 ] - [ 0.0007748800000000, -0.0002169700000000, -0.0001876600000000 ] - [ -0.0017359800000000, 0.0025570500000000, -0.0004412100000000 ] - [ -0.0001502500000000, -0.0005241500000000, -0.0002534300000000 ] - [ 0.0245153600000000, -0.0178171500000000, 0.0051604200000000 ] - [ 0.0018254700000000, 0.0017151600000000, -0.0001456300000000 ] - [ -0.0011521000000000, -0.0023631700000000, -0.0006494000000000 ] - [ 0.0002511900000000, 0.0011710700000000, 0.0001605200000000 ] - [ 0.0188652600000000, -0.0003529000000000, -0.0018789300000000 ] - [ 0.0023080100000000, 0.0007923300000000, 0.0001433900000000 ] - [ -0.0017640100000000, 0.0033937000000000, -0.0005854500000000 ] - [ 0.0002396600000000, -0.0018907400000000, -0.0005392200000000 ] - [ -0.0027367600000000, -0.0013180900000000, 0.0003215200000000 ] - [ -0.0008400600000000, -0.0002269800000000, -0.0000759800000000 ] - [ -0.0017811700000000, -0.0019479400000000, -0.0009838600000000 ] - [ -0.0003080100000000, 0.0002324700000000, -0.0001837800000000 ] - [ 0.0454813800000000, 0.0065749000000000, -0.0301298000000000 ] - [ 0.0007922800000000, -0.0000130100000000, -0.0003704500000000 ] - [ -0.0012211800000000, 0.0022817800000000, -0.0113575200000000 ] - [ 0.0009747500000000, -0.0003009500000000, 0.0007023400000000 ] - [ -0.0020860800000000, 0.0004079700000000, 0.0006816900000000 ] - [ -0.0028783900000000, -0.0010031700000000, 0.0016114000000000 ] - [ -0.0006868400000000, -0.0009603500000000, -0.0004464100000000 ] - [ -0.0012384000000000, 0.0009367100000000, 0.0003345600000000 ] - [ -0.0035599500000000, 0.0008792600000000, -0.0006063700000000 ] - [ -0.0014251900000000, -0.0003801900000000, 0.0000364900000000 ] - [ -0.0018204800000000, -0.0006779700000000, -0.0003850900000000 ] - [ -0.0011421000000000, 0.0008215200000000, 0.0007693200000000 ] - [ 0.0996317800000000, 0.0137086500000000, 0.0331726500000000 ] - [ 0.0009727400000000, 0.0004846300000000, 0.0006723700000000 ] - [ 0.0004584000000000, 0.0025099900000000, 0.0052607200000000 ] - [ 0.0011410100000000, -0.0002181700000000, -0.0004443900000000 ] - [ 0.0166959000000000, 0.0011148000000000, -0.0026575800000000 ] - [ 0.0016991800000000, 0.0004748900000000, -0.0004984600000000 ] - [ -0.0079691000000000, -0.0049985300000000, -0.0064908600000000 ] - [ 0.0008522100000000, 0.0005395200000000, 0.0002819300000000 ] - [ -0.0064875500000000, 0.0001143600000000, 0.0009117800000000 ] - [ -0.0022349100000000, -0.0002320600000000, 0.0003303500000000 ] - [ -0.0059259300000000, 0.0022960300000000, 0.0021551700000000 ] - [ -0.0000362600000000, 0.0000300900000000, -0.0000730700000000 ] - [ -0.0048196100000000, -0.0004303200000000, 0.0002091400000000 ] - [ -0.0014135900000000, -0.0000767800000000, 0.0001792800000000 ] - [ -0.0105811100000000, -0.0049344800000000, -0.0038723600000000 ] - [ -0.0012261900000000, -0.0000894900000000, 0.0001209400000000 ] - [ 0.0187763300000000, -0.0022923800000000, -0.0044478900000000 ] - [ 0.0022143700000000, -0.0001883200000000, 0.0001521700000000 ] - [ -0.0027547500000000, 0.0013238700000000, 0.0001724400000000 ] - [ -0.0010204300000000, -0.0001354000000000, 0.0000619600000000 ] - [ -0.0059909100000000, -0.0019018100000000, 0.0027139500000000 ] - [ -0.0007627000000000, 0.0002396600000000, 0.0000072000000000 ] - [ 0.0014960400000000, -0.0006683700000000, 0.0000535200000000 ] - [ 0.0007826500000000, -0.0002608900000000, -0.0001283000000000 ] - [ -0.0032890700000000, 0.0002770700000000, -0.0006408600000000 ] - [ -0.0012104500000000, 0.0006969700000000, -0.0001617200000000 ] - [ 0.0069874000000000, -0.0037957400000000, 0.0009000700000000 ] - [ 0.0010150100000000, 0.0013084700000000, -0.0003107000000000 ] - [ 0.0023747600000000, 0.0025696900000000, -0.0031456200000000 ] - [ 0.0001016800000000, -0.0008824500000000, -0.0004300100000000 ] - [ 0.0019413800000000, 0.0003070900000000, -0.0002828900000000 ] - [ 0.0010174800000000, 0.0001347200000000, -0.0001562600000000 ] - [ 0.0017299400000000, -0.0023732100000000, 0.0011101200000000 ] - [ -0.0000100600000000, 0.0017083900000000, -0.0001151700000000 ] - [ 0.0097331400000000, 0.0082368400000000, -0.0057551100000000 ] - [ -0.0001385500000000, -0.0013669100000000, 0.0001188200000000 ] - [ -0.0055428700000000, 0.0171776300000000, 0.0423918400000000 ] - [ -0.0017669200000000, 0.0000358900000000, -0.0005936900000000 ] - [ 0.0083624600000000, 0.0039638200000000, 0.0005487800000000 ] - [ 0.0021965800000000, -0.0005431100000000, -0.0004698600000000 ] - [ 0.0076051100000000, -0.0018632100000000, 0.0000886100000000 ] - [ 0.0018786600000000, 0.0010966900000000, 0.0005110300000000 ] - [ 0.0047120800000000, -0.0005805300000000, 0.0031356200000000 ] - [ -0.0007040900000000, 0.0002861100000000, 0.0000974600000000 ] - [ 0.0077901700000000, -0.0004917200000000, -0.0009286300000000 ] - [ 0.0011973300000000, 0.0002657000000000, -0.0001099900000000 ] - [ 0.0014814200000000, 0.0029625100000000, 0.0015654800000000 ] - [ 0.0014345800000000, -0.0029694200000000, -0.0003566800000000 ] - [ -0.0078462200000000, -0.0264889000000000, -0.0184310000000000 ] - [ -0.0030697100000000, 0.0004925800000000, 0.0008527700000000 ] - [ -0.0118398300000000, 0.0104555000000000, -0.0052899300000000 ] - [ -0.0041052600000000, -0.0105928300000000, 0.0029529300000000 ] - [ 0.0039641000000000, 0.0328906000000000, 0.0314773600000000 ] - [ -0.0010091100000000, -0.0018983400000000, 0.0007189800000000 ] - [ 0.0116746200000000, 0.0005490600000000, 0.0010011000000000 ] - [ 0.0017121600000000, -0.0006337100000000, -0.0006473000000000 ] - [ 0.0087327800000000, -0.0029155400000000, -0.0017027200000000 ] - [ 0.0011771300000000, 0.0021122900000000, 0.0001666500000000 ] - [ -0.3391367200000000, -0.0111500100000000, 0.0003684000000000 ] - [ -0.0024870200000000, -0.0006687800000000, 0.0002604300000000 ] - [ 0.0057694300000000, -0.0002961300000000, 0.0025664000000000 ] - [ -0.0007158400000000, 0.0005248300000000, -0.0001269400000000 ] - [ 0.0060680200000000, 0.0004512300000000, -0.0006435800000000 ] - [ 0.0046186100000000, -0.0011087900000000, -0.0006989300000000 ] - [ 0.0015277900000000, 0.0033031500000000, 0.0018344000000000 ] - [ 0.0015283500000000, -0.0030827300000000, -0.0003291500000000 ] - [ -0.0030879400000000, -0.0213152300000000, -0.0202454400000000 ] - [ -0.0015509400000000, 0.0013180100000000, -0.0002211700000000 ]- atom: 119 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0031002200000000, 0.0010436100000000, -0.0013891100000000 ] - [ 0.0010452700000000, -0.0004286100000000, -0.0000747400000000 ] - [ -0.0003835400000000, 0.0018393100000000, 0.0014263400000000 ] - [ 0.0000150000000000, -0.0013334800000000, -0.0000426600000000 ] - [ -0.0537553400000000, -0.0026206000000000, 0.0504620400000000 ] - [ -0.0006308700000000, -0.0002021300000000, -0.0000994400000000 ] - [ 0.0019995300000000, -0.0005207200000000, -0.0003220700000000 ] - [ 0.0001666900000000, 0.0002765500000000, 0.0002170800000000 ] - [ -0.0861520600000000, 0.0015498800000000, -0.0345696300000000 ] - [ -0.0009193000000000, -0.0002618200000000, -0.0001219000000000 ] - [ 0.0026556100000000, -0.0002567800000000, 0.0001677300000000 ] - [ 0.0006144100000000, 0.0001169200000000, -0.0003636300000000 ] - [ 0.0022738900000000, -0.0013529100000000, 0.0007111900000000 ] - [ 0.0017134400000000, 0.0010722700000000, -0.0002698100000000 ] - [ -0.0012658600000000, -0.0011065300000000, -0.0002451400000000 ] - [ -0.0005292500000000, 0.0012201200000000, 0.0005992600000000 ] - [ 0.0046275600000000, -0.0001444700000000, 0.0000940800000000 ] - [ 0.0006142300000000, -0.0000883900000000, 0.0000106800000000 ] - [ 0.0003645400000000, -0.0008919200000000, 0.0114608900000000 ] - [ -0.0005228900000000, 0.0002506500000000, 0.0001418000000000 ] - [ -0.0028232500000000, 0.0009849200000000, 0.0004874100000000 ] - [ -0.0010118900000000, -0.0057790500000000, 0.0010074000000000 ] - [ 0.0006005800000000, 0.0008364700000000, 0.0009821200000000 ] - [ 0.0013746600000000, -0.0010943400000000, 0.0001058400000000 ] - [ -0.0036026100000000, 0.0106562500000000, -0.0035485100000000 ] - [ -0.0023625200000000, -0.0018638300000000, 0.0005856300000000 ] - [ 0.0024349800000000, 0.0011355900000000, 0.0008542400000000 ] - [ 0.0012643500000000, -0.0007000400000000, -0.0006824800000000 ] - [ 0.0046183200000000, -0.0017623900000000, -0.0010665800000000 ] - [ 0.0002081500000000, 0.0004622800000000, 0.0002179900000000 ] - [ 0.0022330300000000, -0.0049408400000000, -0.0018095100000000 ] - [ -0.0011624100000000, 0.0016316600000000, -0.0001765800000000 ] - [ 0.0003486000000000, -0.0010655500000000, -0.0037424700000000 ] - [ -0.0002599500000000, 0.0000226700000000, 0.0001801900000000 ] - [ 0.0016870700000000, -0.0023291200000000, 0.0004316200000000 ] - [ 0.0001109700000000, 0.0007480000000000, 0.0002450000000000 ] - [ -0.0247025900000000, 0.0186583300000000, -0.0052464300000000 ] - [ -0.0017796800000000, -0.0014372400000000, 0.0001453400000000 ] - [ 0.0011212400000000, 0.0021482800000000, 0.0006392800000000 ] - [ -0.0002943300000000, -0.0013934800000000, -0.0001658900000000 ] - [ -0.0185691600000000, -0.0004248700000000, 0.0016233900000000 ] - [ -0.0020462200000000, -0.0009074600000000, -0.0005745600000000 ] - [ 0.0014982400000000, -0.0033157800000000, 0.0001630700000000 ] - [ -0.0004978100000000, 0.0019529200000000, 0.0001239300000000 ] - [ 0.0029922000000000, 0.0013819800000000, -0.0007346700000000 ] - [ 0.0011080100000000, 0.0002986600000000, -0.0003461500000000 ] - [ 0.0015092500000000, 0.0018695300000000, 0.0005653100000000 ] - [ 0.0000421200000000, -0.0003062700000000, -0.0002323100000000 ] - [ -0.0451751200000000, -0.0066826200000000, 0.0288778600000000 ] - [ -0.0012923000000000, -0.0000531200000000, 0.0008163200000000 ] - [ 0.0017236900000000, -0.0022182800000000, 0.0117707000000000 ] - [ -0.0004606400000000, 0.0003787300000000, -0.0002477400000000 ] - [ 0.0015723300000000, -0.0003484700000000, -0.0002176100000000 ] - [ 0.0023648100000000, 0.0010711300000000, -0.0011531600000000 ] - [ 0.0011929000000000, 0.0008863400000000, 0.0008958400000000 ] - [ 0.0017433900000000, -0.0010227500000000, 0.0001068700000000 ] - [ 0.0034005000000000, -0.0013465400000000, 0.0008588800000000 ] - [ 0.0012630200000000, -0.0000710400000000, 0.0002052500000000 ] - [ 0.0019768600000000, 0.0011320700000000, 0.0006320400000000 ] - [ 0.0013009900000000, -0.0003684300000000, -0.0005271900000000 ] - [ -0.0948523500000000, -0.0119068900000000, -0.0296075900000000 ] - [ -0.0011228000000000, -0.0000226100000000, -0.0004123800000000 ] - [ -0.0002904600000000, -0.0029783100000000, -0.0050510100000000 ] - [ -0.0009765700000000, -0.0002351100000000, 0.0006823600000000 ] - [ -0.0176342000000000, -0.0007848500000000, 0.0028536700000000 ] - [ -0.0026356000000000, -0.0001437600000000, 0.0006868000000000 ] - [ 0.0089327600000000, 0.0046964300000000, 0.0067030400000000 ] - [ 0.0000851000000000, -0.0008706900000000, -0.0000835100000000 ] - [ 0.0055335800000000, -0.0004395300000000, -0.0007045100000000 ] - [ 0.0012903900000000, -0.0000925600000000, -0.0001288700000000 ] - [ 0.0068091100000000, -0.0019693200000000, -0.0019800600000000 ] - [ 0.0009581400000000, 0.0002972700000000, 0.0002710500000000 ] - [ 0.0051870400000000, 0.0007848200000000, -0.0000394300000000 ] - [ 0.0017768000000000, 0.0004321900000000, -0.0000051800000000 ] - [ 0.0101705000000000, 0.0045793600000000, 0.0040501000000000 ] - [ 0.0008589100000000, -0.0002617000000000, 0.0000546100000000 ] - [ -0.0183607400000000, 0.0019528500000000, 0.0046069200000000 ] - [ -0.0018408700000000, -0.0001675800000000, 0.0000288700000000 ] - [ 0.0027878800000000, -0.0015359900000000, -0.0001819000000000 ] - [ 0.0010539200000000, -0.0000896000000000, -0.0000712000000000 ] - [ 0.0065348800000000, 0.0015057400000000, -0.0030949000000000 ] - [ 0.0012889200000000, -0.0006419300000000, -0.0004030100000000 ] - [ -0.0018459600000000, -0.0001422700000000, -0.0004161700000000 ] - [ -0.0011328100000000, -0.0005461100000000, -0.0002328400000000 ] - [ 0.0029340500000000, 0.0005335300000000, 0.0002779400000000 ] - [ 0.0008570300000000, 0.0001169300000000, -0.0001995800000000 ] - [ -0.0066888900000000, 0.0046415200000000, -0.0013018700000000 ] - [ -0.0006610800000000, -0.0005019600000000, -0.0000519200000000 ] - [ -0.0029042500000000, -0.0029831500000000, 0.0027844200000000 ] - [ -0.0006222800000000, 0.0004856300000000, 0.0000322800000000 ] - [ -0.0014147500000000, 0.0000915800000000, -0.0001178700000000 ] - [ -0.0004924900000000, 0.0002601200000000, -0.0002415700000000 ] - [ -0.0022468400000000, 0.0027572400000000, -0.0014918800000000 ] - [ -0.0005155000000000, -0.0013088500000000, -0.0002810800000000 ] - [ -0.0092733100000000, -0.0089315400000000, 0.0053103200000000 ] - [ 0.0004839700000000, 0.0005542200000000, -0.0004795400000000 ] - [ 0.0057885500000000, -0.0170563600000000, -0.0420200200000000 ] - [ 0.0019355200000000, 0.0000296700000000, 0.0007756300000000 ] - [ -0.0085360400000000, -0.0039053300000000, -0.0003722100000000 ] - [ -0.0023680600000000, 0.0006109700000000, 0.0006523700000000 ] - [ -0.0074221500000000, 0.0018006200000000, 0.0001120100000000 ] - [ -0.0016884300000000, -0.0011637000000000, -0.0003176800000000 ] - [ -0.0049496600000000, 0.0007535100000000, -0.0032785800000000 ] - [ 0.0004458500000000, -0.0001144100000000, -0.0002392400000000 ] - [ -0.0074952400000000, 0.0003236000000000, 0.0008042900000000 ] - [ -0.0009384200000000, -0.0004369700000000, -0.0000286200000000 ] - [ -0.0017406900000000, -0.0031312600000000, -0.0016985400000000 ] - [ -0.0017011900000000, 0.0027903000000000, 0.0002103000000000 ] - [ 0.0076543500000000, 0.0264574900000000, 0.0185595600000000 ] - [ 0.0028711400000000, -0.0005524100000000, -0.0006511400000000 ] - [ 0.0122329300000000, -0.0102634300000000, 0.0051774100000000 ] - [ 0.0044771600000000, 0.0107270700000000, -0.0031104700000000 ] - [ -0.0043578800000000, -0.0331226200000000, -0.0317268500000000 ] - [ 0.0007390100000000, 0.0017686700000000, -0.0007660300000000 ] - [ -0.0113867100000000, -0.0004064500000000, -0.0010356600000000 ] - [ -0.0014312500000000, 0.0007585700000000, 0.0005954800000000 ] - [ -0.0090107800000000, 0.0030190300000000, 0.0016029600000000 ] - [ -0.0014698300000000, -0.0019726600000000, -0.0002319400000000 ] - [ 0.3386732700000000, 0.0105037600000000, -0.0010380900000000 ] - [ 0.0024359200000000, 0.0008205000000000, -0.0004245400000000 ] - [ -0.0057269200000000, 0.0001347200000000, -0.0027066800000000 ] - [ 0.0007602700000000, -0.0006809300000000, -0.0000400600000000 ] - [ -0.0061173000000000, -0.0005931900000000, 0.0004760400000000 ] - [ -0.0046633000000000, 0.0009353000000000, 0.0005373200000000 ] - [ -0.0014670600000000, -0.0031457800000000, -0.0020019800000000 ] - [ -0.0014664500000000, 0.0032406800000000, 0.0001686600000000 ] - [ 0.0033690600000000, 0.0211935000000000, 0.0202563700000000 ] - [ 0.0018420300000000, -0.0014428200000000, 0.0001527900000000 ]- atom: 119 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002183300000000, 0.0001832900000000, 0.0000444500000000 ] - [ 0.0000170000000000, -0.0001876300000000, 0.0001397300000000 ] - [ -0.0022964600000000, -0.0006506900000000, -0.0034405100000000 ] - [ 0.0016099700000000, -0.0001235300000000, 0.0024387100000000 ] - [ -0.0021138900000000, 0.0256555100000000, 0.0070291400000000 ] - [ 0.0008883000000000, -0.0060564900000000, -0.0017633900000000 ] - [ 0.0002858800000000, 0.0013369700000000, -0.0011889800000000 ] - [ -0.0003197900000000, -0.0010160400000000, 0.0007207200000000 ] - [ 0.0047000400000000, 0.0272813200000000, 0.0061355000000000 ] - [ -0.0009062200000000, -0.0064367400000000, -0.0014226100000000 ] - [ -0.0000079700000000, 0.0009426600000000, -0.0007800600000000 ] - [ -0.0000690000000000, -0.0010072300000000, 0.0005589300000000 ] - [ 0.0006996100000000, -0.0002800300000000, 0.0002341100000000 ] - [ -0.0010452300000000, -0.0002084500000000, -0.0000782100000000 ] - [ 0.0020062300000000, 0.0000084400000000, -0.0029041300000000 ] - [ -0.0011229600000000, -0.0001104200000000, 0.0021274600000000 ] - [ -0.0007548400000000, 0.0012267800000000, 0.0011401700000000 ] - [ 0.0002045700000000, -0.0013483800000000, -0.0004451300000000 ] - [ -0.0009067100000000, 0.0032334800000000, -0.0036836600000000 ] - [ 0.0002092800000000, -0.0021881500000000, 0.0017656300000000 ] - [ -0.0070935800000000, -0.0111056800000000, 0.0113176300000000 ] - [ 0.0075017600000000, -0.0014654100000000, -0.0117266600000000 ] - [ -0.0003547500000000, 0.0000633800000000, 0.0006326500000000 ] - [ 0.0000137900000000, -0.0007348700000000, -0.0005559000000000 ] - [ -0.0095437100000000, -0.0021567100000000, -0.0084750000000000 ] - [ 0.0092405700000000, -0.0108951500000000, 0.0075349700000000 ] - [ 0.0001433700000000, 0.0001502800000000, -0.0002934600000000 ] - [ 0.0001579300000000, -0.0000791700000000, 0.0000546800000000 ] - [ 0.0006724900000000, 0.0018469900000000, 0.0010536500000000 ] - [ -0.0007309000000000, -0.0011206500000000, -0.0007150500000000 ] - [ 0.0030298200000000, 0.0019288900000000, -0.0019960500000000 ] - [ -0.0024520600000000, -0.0017071600000000, 0.0012572100000000 ] - [ 0.0012201000000000, 0.0018366300000000, -0.0025724400000000 ] - [ -0.0000529900000000, -0.0020658300000000, 0.0011750000000000 ] - [ -0.0001275900000000, 0.0027450900000000, -0.0006798600000000 ] - [ 0.0000973500000000, -0.0024064000000000, 0.0002625100000000 ] - [ -0.0224013400000000, 0.1336074500000000, -0.0215954900000000 ] - [ -0.0020519400000000, -0.0178502800000000, -0.0009438100000000 ] - [ -0.0000043100000000, 0.0011056600000000, -0.0005042600000000 ] - [ -0.0001307300000000, -0.0013315700000000, 0.0001154700000000 ] - [ 0.0029952700000000, 0.1229848000000000, -0.0304989600000000 ] - [ 0.0012881800000000, -0.0183063900000000, -0.0024804100000000 ] - [ -0.0000953300000000, 0.0008984500000000, -0.0007036000000000 ] - [ -0.0003064200000000, -0.0006234800000000, -0.0000774100000000 ] - [ 0.0005136200000000, 0.0019182100000000, 0.0001304900000000 ] - [ -0.0004056200000000, -0.0018380600000000, -0.0002952000000000 ] - [ -0.0000754300000000, 0.0024624000000000, -0.0009186200000000 ] - [ -0.0002080300000000, -0.0025952000000000, 0.0000597300000000 ] - [ 0.0028661600000000, 0.0242809600000000, -0.0018683700000000 ] - [ -0.0002793800000000, -0.0049604700000000, -0.0007632900000000 ] - [ -0.0006888600000000, 0.0036444300000000, -0.0040276000000000 ] - [ 0.0006274200000000, -0.0018038500000000, 0.0011798500000000 ] - [ 0.0004870300000000, 0.0003849800000000, 0.0002225300000000 ] - [ -0.0014615300000000, -0.0003769700000000, 0.0004683000000000 ] - [ -0.0004012300000000, -0.0000523600000000, 0.0005267100000000 ] - [ 0.0009768200000000, -0.0001255100000000, -0.0002780600000000 ] - [ 0.0012366500000000, 0.0000548400000000, 0.0004041100000000 ] - [ -0.0013951800000000, -0.0005683600000000, 0.0000977200000000 ] - [ -0.0006324000000000, 0.0002145000000000, -0.0003628900000000 ] - [ 0.0005950900000000, 0.0001954800000000, 0.0003444900000000 ] - [ 0.0155375000000000, 0.0233422600000000, 0.0081365500000000 ] - [ 0.0001308600000000, -0.0037222600000000, -0.0002548600000000 ] - [ 0.0017962400000000, 0.0017945100000000, -0.0023179100000000 ] - [ -0.0009061200000000, -0.0017383200000000, 0.0015522800000000 ] - [ 0.0004127400000000, 0.0012568200000000, -0.0083512600000000 ] - [ -0.0013825900000000, -0.0048968600000000, 0.0033448800000000 ] - [ -0.0018520700000000, 0.0001364700000000, -0.0009395800000000 ] - [ 0.0016230300000000, -0.0013466200000000, 0.0005627600000000 ] - [ -0.0012359300000000, 0.0002810800000000, 0.0001517900000000 ] - [ 0.0000224100000000, -0.0006102000000000, 0.0000658100000000 ] - [ 0.0013521200000000, 0.0017745600000000, -0.0007300000000000 ] - [ -0.0010417200000000, -0.0021529200000000, 0.0008961900000000 ] - [ 0.0006828500000000, 0.0008863100000000, -0.0001432900000000 ] - [ -0.0006765200000000, -0.0005694000000000, 0.0003166200000000 ] - [ -0.0021102300000000, 0.0006652700000000, -0.0009493800000000 ] - [ 0.0015620200000000, -0.0017723900000000, 0.0010647200000000 ] - [ 0.0003953300000000, 0.0012007400000000, -0.0047451900000000 ] - [ 0.0017085600000000, -0.0036563300000000, 0.0016139100000000 ] - [ -0.0005918700000000, 0.0012747000000000, 0.0004051900000000 ] - [ 0.0004299800000000, -0.0014443400000000, -0.0002099200000000 ] - [ -0.0016516700000000, -0.0024736900000000, -0.0093483800000000 ] - [ 0.0003012300000000, 0.0024929900000000, 0.0010852800000000 ] - [ 0.0001084400000000, -0.0009893500000000, 0.0000401900000000 ] - [ -0.0003378000000000, 0.0001697500000000, -0.0003079100000000 ] - [ -0.0004792900000000, -0.0009072900000000, -0.0012246600000000 ] - [ 0.0000791100000000, 0.0018328500000000, 0.0002501500000000 ] - [ -0.0015671600000000, -0.0028214700000000, -0.0014445300000000 ] - [ 0.0010431100000000, 0.0028263200000000, 0.0001344500000000 ] - [ 0.0009815500000000, -0.0029339700000000, -0.0020183400000000 ] - [ -0.0010593900000000, 0.0021689600000000, 0.0005889700000000 ] - [ 0.0002617400000000, -0.0006095600000000, -0.0002411100000000 ] - [ 0.0003649000000000, 0.0009857600000000, -0.0001423900000000 ] - [ -0.0018146200000000, -0.0009542900000000, -0.0014063600000000 ] - [ 0.0004160300000000, 0.0011546500000000, 0.0003052700000000 ] - [ 0.0089559300000000, -0.0020882600000000, -0.0041024200000000 ] - [ -0.0011346000000000, 0.0017424700000000, 0.0004888100000000 ] - [ 0.0092319900000000, -0.0023331000000000, 0.0144798100000000 ] - [ -0.0025084500000000, 0.0045987500000000, -0.0003229200000000 ] - [ 0.0025131900000000, 0.0000325300000000, 0.0007456900000000 ] - [ -0.0019904200000000, 0.0000271400000000, -0.0003769400000000 ] - [ -0.0020612200000000, -0.0011495200000000, 0.0007586000000000 ] - [ 0.0023646300000000, 0.0009354100000000, -0.0005736400000000 ] - [ -0.0000211300000000, -0.0041368500000000, 0.0030788300000000 ] - [ -0.0002940100000000, 0.0039066200000000, -0.0016730900000000 ] - [ 0.0001861500000000, -0.0027721400000000, -0.0017505800000000 ] - [ 0.0004012800000000, 0.0022129000000000, 0.0006466000000000 ] - [ -0.0002982000000000, -0.0003885600000000, 0.0000244400000000 ] - [ 0.0002725700000000, 0.0004405200000000, 0.0005063100000000 ] - [ -0.0119824200000000, -0.0039394200000000, 0.0181384300000000 ] - [ 0.0031565200000000, 0.0054988500000000, -0.0018883300000000 ] - [ 0.0289443500000000, 0.0527394700000000, 0.0026857400000000 ] - [ -0.0239418000000000, 0.0516553700000000, 0.0101304000000000 ] - [ 0.0129990400000000, -0.0040870500000000, 0.0179287700000000 ] - [ -0.0020123200000000, 0.0104459800000000, -0.0073171600000000 ] - [ 0.0018898400000000, -0.0017312500000000, 0.0006514000000000 ] - [ -0.0000198000000000, 0.0019339500000000, -0.0003352000000000 ] - [ -0.0031301800000000, -0.0014260500000000, 0.0006748400000000 ] - [ 0.0018239900000000, 0.0017110200000000, -0.0004399000000000 ] - [ -0.0113982600000000, -0.4083829000000000, 0.0082074500000000 ] - [ -0.0007662400000000, 0.0231676500000000, 0.0002886800000000 ] - [ -0.0001997700000000, -0.0028215200000000, 0.0038968300000000 ] - [ 0.0006336200000000, 0.0024711900000000, -0.0020580200000000 ] - [ -0.0005501000000000, -0.0005948900000000, -0.0002489600000000 ] - [ 0.0009913500000000, 0.0005225200000000, -0.0006185900000000 ] - [ 0.0031817000000000, 0.0001300800000000, 0.0012930400000000 ] - [ -0.0032051200000000, 0.0001113200000000, -0.0002353500000000 ] - [ -0.0075965200000000, -0.0065001500000000, 0.0179407300000000 ] - [ -0.0005679500000000, 0.0110145900000000, -0.0074974200000000 ]- atom: 119 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003561700000000, 0.0000211500000000, -0.0001510600000000 ] - [ 0.0001144400000000, 0.0003863700000000, -0.0002381200000000 ] - [ 0.0021762700000000, 0.0004436300000000, 0.0033536600000000 ] - [ -0.0017338200000000, -0.0000732600000000, -0.0025281700000000 ] - [ 0.0025976300000000, -0.0260257900000000, -0.0077093800000000 ] - [ -0.0007613800000000, 0.0058530300000000, 0.0016638900000000 ] - [ -0.0004108800000000, -0.0011433600000000, 0.0010884800000000 ] - [ 0.0001872000000000, 0.0012161200000000, -0.0008170700000000 ] - [ -0.0045702400000000, -0.0269965200000000, -0.0058938100000000 ] - [ 0.0006726600000000, 0.0065946600000000, 0.0014082600000000 ] - [ 0.0002394500000000, -0.0011053900000000, 0.0007664700000000 ] - [ 0.0002931800000000, 0.0008464200000000, -0.0005748700000000 ] - [ -0.0009251800000000, 0.0001131300000000, -0.0002462900000000 ] - [ 0.0008167000000000, 0.0000510200000000, 0.0000613100000000 ] - [ -0.0017787400000000, 0.0001656000000000, 0.0028772300000000 ] - [ 0.0013528700000000, 0.0002683500000000, -0.0021490200000000 ] - [ 0.0011395100000000, -0.0016809700000000, -0.0007384000000000 ] - [ 0.0001681400000000, 0.0008960700000000, 0.0008503000000000 ] - [ 0.0005229600000000, -0.0027851500000000, 0.0040544900000000 ] - [ -0.0005781200000000, 0.0026418500000000, -0.0013523000000000 ] - [ 0.0074652300000000, 0.0116062900000000, -0.0109336800000000 ] - [ -0.0070955700000000, 0.0019240600000000, 0.0120581400000000 ] - [ -0.0000177400000000, -0.0005074300000000, -0.0002167800000000 ] - [ -0.0003876400000000, 0.0002796800000000, 0.0009630600000000 ] - [ 0.0090509900000000, 0.0019535600000000, 0.0085098400000000 ] - [ -0.0097514500000000, 0.0106581900000000, -0.0075188100000000 ] - [ 0.0003748100000000, 0.0000483200000000, 0.0002868300000000 ] - [ 0.0003597300000000, 0.0002688100000000, -0.0000676900000000 ] - [ -0.0011754800000000, -0.0016620100000000, -0.0010614400000000 ] - [ 0.0002165700000000, 0.0013146000000000, 0.0007067700000000 ] - [ -0.0034022900000000, -0.0016120100000000, 0.0021864500000000 ] - [ 0.0020656100000000, 0.0020510900000000, -0.0010726600000000 ] - [ -0.0007193300000000, -0.0020292200000000, 0.0025970000000000 ] - [ 0.0005716300000000, 0.0018719800000000, -0.0011868100000000 ] - [ 0.0000804800000000, -0.0025122400000000, 0.0006719500000000 ] - [ -0.0001381600000000, 0.0026241500000000, -0.0002697700000000 ] - [ 0.0236915600000000, -0.1431576100000000, 0.0233324700000000 ] - [ 0.0021110900000000, 0.0180496200000000, 0.0009552900000000 ] - [ -0.0000410500000000, -0.0013142800000000, 0.0005015600000000 ] - [ 0.0000825500000000, 0.0011045900000000, -0.0001220100000000 ] - [ -0.0029436700000000, -0.1144123200000000, 0.0277565100000000 ] - [ -0.0010237900000000, 0.0182234000000000, 0.0020417100000000 ] - [ -0.0001610200000000, -0.0008455200000000, 0.0002880000000000 ] - [ 0.0000398300000000, 0.0007069400000000, -0.0003371500000000 ] - [ -0.0002487500000000, -0.0018439400000000, -0.0005473100000000 ] - [ 0.0006720800000000, 0.0019043300000000, -0.0001220800000000 ] - [ -0.0001893900000000, -0.0025473200000000, 0.0005052800000000 ] - [ -0.0000466900000000, 0.0025292000000000, -0.0004703300000000 ] - [ -0.0036430800000000, -0.0243617600000000, 0.0027176800000000 ] - [ -0.0002277600000000, 0.0048810300000000, 0.0012085200000000 ] - [ 0.0012058500000000, -0.0035809100000000, 0.0045107900000000 ] - [ -0.0001204500000000, 0.0018810700000000, -0.0007313700000000 ] - [ -0.0009973800000000, -0.0003136200000000, 0.0002347700000000 ] - [ 0.0009550200000000, 0.0004454800000000, -0.0000123500000000 ] - [ 0.0009139100000000, -0.0000345400000000, -0.0000814000000000 ] - [ -0.0004649000000000, 0.0000500100000000, 0.0007260600000000 ] - [ -0.0013968600000000, -0.0005094400000000, -0.0001477800000000 ] - [ 0.0012415500000000, 0.0001057400000000, 0.0001580000000000 ] - [ 0.0008002800000000, 0.0002363200000000, 0.0006092600000000 ] - [ -0.0004285700000000, 0.0002607100000000, -0.0001056700000000 ] - [ -0.0158645000000000, -0.0230550100000000, -0.0080118500000000 ] - [ -0.0002888900000000, 0.0041817600000000, 0.0005010800000000 ] - [ -0.0016352000000000, -0.0022746200000000, 0.0025416700000000 ] - [ 0.0010592500000000, 0.0012786900000000, -0.0012952700000000 ] - [ -0.0013438500000000, -0.0009735000000000, 0.0086265300000000 ] - [ 0.0004534100000000, 0.0052132300000000, -0.0031382200000000 ] - [ 0.0028088800000000, -0.0004408100000000, 0.0011585900000000 ] - [ -0.0006964100000000, 0.0010235300000000, -0.0003672200000000 ] - [ 0.0003031100000000, -0.0006175900000000, 0.0000474400000000 ] - [ -0.0009642800000000, 0.0002906700000000, 0.0001352700000000 ] - [ -0.0004686100000000, -0.0014153200000000, 0.0009357000000000 ] - [ 0.0019692900000000, 0.0024887700000000, -0.0007017700000000 ] - [ -0.0003095400000000, -0.0005251900000000, 0.0003167700000000 ] - [ 0.0010532200000000, 0.0009247300000000, -0.0001428800000000 ] - [ 0.0017140500000000, -0.0010400700000000, 0.0011153000000000 ] - [ -0.0019138800000000, 0.0014345800000000, -0.0008800300000000 ] - [ -0.0000297300000000, -0.0014909000000000, 0.0049110900000000 ] - [ -0.0013474900000000, 0.0033190800000000, -0.0014412800000000 ] - [ 0.0006369000000000, -0.0015003700000000, -0.0004125600000000 ] - [ -0.0003921000000000, 0.0012303000000000, 0.0002014000000000 ] - [ 0.0021679400000000, 0.0020467700000000, 0.0088897400000000 ] - [ 0.0002248200000000, -0.0028954700000000, -0.0014881900000000 ] - [ -0.0004625800000000, 0.0001848800000000, -0.0004040200000000 ] - [ -0.0000155100000000, -0.0009792600000000, -0.0000559700000000 ] - [ 0.0001312600000000, 0.0017280700000000, 0.0008668900000000 ] - [ -0.0004294000000000, -0.0010260300000000, -0.0006128200000000 ] - [ 0.0019127600000000, 0.0036150000000000, 0.0010818800000000 ] - [ -0.0006990900000000, -0.0020225100000000, -0.0004989600000000 ] - [ -0.0015118500000000, 0.0025551300000000, 0.0016230300000000 ] - [ 0.0005270200000000, -0.0025591100000000, -0.0009809500000000 ] - [ 0.0002624600000000, 0.0010021300000000, -0.0001565300000000 ] - [ 0.0001607100000000, -0.0005904900000000, -0.0002556800000000 ] - [ 0.0012947500000000, 0.0013577500000000, 0.0010146100000000 ] - [ -0.0009372100000000, -0.0007653100000000, -0.0007003800000000 ] - [ -0.0085480400000000, 0.0012396000000000, 0.0037240100000000 ] - [ 0.0014946300000000, -0.0025529200000000, -0.0008557100000000 ] - [ -0.0090471800000000, 0.0022875800000000, -0.0143460500000000 ] - [ 0.0027003400000000, -0.0045411500000000, 0.0005181700000000 ] - [ -0.0026921000000000, 0.0000489400000000, -0.0005608900000000 ] - [ 0.0018027500000000, 0.0000288100000000, 0.0005663100000000 ] - [ 0.0022396800000000, 0.0010663600000000, -0.0005654200000000 ] - [ -0.0022010900000000, -0.0009979200000000, 0.0007628600000000 ] - [ -0.0002129700000000, 0.0043083100000000, -0.0032124400000000 ] - [ 0.0000257600000000, -0.0037397400000000, 0.0015299200000000 ] - [ 0.0000640500000000, 0.0026041300000000, 0.0016157400000000 ] - [ -0.0001373400000000, -0.0023860300000000, -0.0007866700000000 ] - [ 0.0000344000000000, 0.0002089700000000, -0.0001796700000000 ] - [ -0.0005374000000000, -0.0005963200000000, -0.0006503900000000 ] - [ 0.0118720000000000, 0.0040563700000000, -0.0180091200000000 ] - [ -0.0033201600000000, -0.0055566900000000, 0.0020621500000000 ] - [ -0.0287729100000000, -0.0531546600000000, -0.0027525000000000 ] - [ 0.0240761500000000, -0.0509738000000000, -0.0103385700000000 ] - [ -0.0133492200000000, 0.0041265100000000, -0.0180573800000000 ] - [ 0.0017171700000000, -0.0105503300000000, 0.0072186700000000 ] - [ -0.0016248200000000, 0.0018528200000000, -0.0007089800000000 ] - [ 0.0003086000000000, -0.0018031100000000, 0.0002828000000000 ] - [ 0.0028445700000000, 0.0015765900000000, -0.0007351900000000 ] - [ -0.0020936100000000, -0.0015876900000000, 0.0003794000000000 ] - [ 0.0101753500000000, 0.4099907900000000, -0.0076517700000000 ] - [ 0.0007227300000000, -0.0229969400000000, -0.0004548500000000 ] - [ 0.0002297600000000, 0.0026644200000000, -0.0040648300000000 ] - [ -0.0005718800000000, -0.0026312800000000, 0.0018916700000000 ] - [ 0.0004937900000000, 0.0004261300000000, 0.0000919000000000 ] - [ -0.0010511400000000, -0.0006683200000000, 0.0004487100000000 ] - [ -0.0031440400000000, 0.0000471200000000, -0.0014591300000000 ] - [ 0.0032452400000000, 0.0000280900000000, 0.0000625800000000 ] - [ 0.0078760000000000, 0.0062174600000000, -0.0179207700000000 ] - [ 0.0008546300000000, -0.0111675800000000, 0.0074865500000000 ]- atom: 119 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0010869600000000, -0.0008170500000000, 0.0016625900000000 ] - [ -0.0001588500000000, -0.0000369500000000, 0.0006163600000000 ] - [ -0.0028436900000000, -0.0020911000000000, -0.0039721700000000 ] - [ -0.0008709300000000, -0.0000022400000000, -0.0020656900000000 ] - [ -0.0544959600000000, 0.0011871300000000, 0.0990486100000000 ] - [ -0.0003110200000000, -0.0000319300000000, 0.0007442500000000 ] - [ 0.0023956700000000, 0.0009355200000000, -0.0031400700000000 ] - [ 0.0000240800000000, -0.0001482900000000, -0.0004952300000000 ] - [ 0.0369600500000000, 0.0040852900000000, 0.0411282000000000 ] - [ 0.0000020600000000, 0.0001683500000000, 0.0004782800000000 ] - [ -0.0005642100000000, 0.0012944300000000, -0.0024976500000000 ] - [ 0.0000747900000000, -0.0005781500000000, -0.0001943000000000 ] - [ 0.0016218500000000, -0.0009194500000000, 0.0016823800000000 ] - [ 0.0003664200000000, -0.0001756900000000, 0.0008816600000000 ] - [ 0.0030472300000000, -0.0023620000000000, -0.0036295200000000 ] - [ 0.0007917500000000, 0.0004264800000000, -0.0016056600000000 ] - [ -0.0023914100000000, 0.0014095600000000, 0.0024542100000000 ] - [ 0.0000537700000000, -0.0006474300000000, 0.0004230700000000 ] - [ -0.0043596600000000, 0.0030219700000000, -0.0118191300000000 ] - [ -0.0005456300000000, -0.0001663300000000, -0.0004248500000000 ] - [ 0.0003639500000000, 0.0026747300000000, 0.0017325200000000 ] - [ -0.0001953700000000, -0.0106055800000000, 0.0088613000000000 ] - [ -0.0000111200000000, -0.0002433900000000, -0.0007646700000000 ] - [ 0.0006826200000000, -0.0014925700000000, -0.0018209700000000 ] - [ 0.0008717100000000, -0.0075927300000000, 0.0059302100000000 ] - [ -0.0014455500000000, 0.0020519000000000, 0.0013647300000000 ] - [ 0.0000726300000000, -0.0006828400000000, -0.0019354200000000 ] - [ 0.0003952500000000, -0.0002425800000000, -0.0008793500000000 ] - [ 0.0025514200000000, 0.0013829400000000, 0.0039830700000000 ] - [ 0.0000255800000000, -0.0001774000000000, 0.0003071100000000 ] - [ 0.0095610400000000, -0.0076732200000000, -0.0014474700000000 ] - [ 0.0006892100000000, 0.0011095100000000, -0.0000734300000000 ] - [ 0.0050261500000000, 0.0030069600000000, -0.0138346900000000 ] - [ 0.0004169100000000, -0.0005102100000000, -0.0004072900000000 ] - [ 0.0001851200000000, 0.0017072500000000, -0.0030926700000000 ] - [ 0.0002046000000000, -0.0011489700000000, -0.0008290600000000 ] - [ 0.0056095200000000, -0.0199740500000000, 0.0209223600000000 ] - [ -0.0003468900000000, 0.0027543100000000, 0.0019493200000000 ] - [ 0.0005030300000000, 0.0007832200000000, -0.0033758800000000 ] - [ -0.0000832300000000, -0.0009567700000000, -0.0007881300000000 ] - [ -0.0022530800000000, -0.0281668700000000, 0.0293843100000000 ] - [ 0.0006831200000000, 0.0018179400000000, 0.0015742400000000 ] - [ -0.0000421200000000, 0.0007428200000000, -0.0032036300000000 ] - [ -0.0002681200000000, -0.0008714500000000, -0.0012385000000000 ] - [ 0.0003924200000000, 0.0014998100000000, 0.0012118100000000 ] - [ 0.0000305700000000, -0.0011106800000000, 0.0003012100000000 ] - [ 0.0004664800000000, 0.0021932000000000, -0.0035045900000000 ] - [ -0.0001872400000000, -0.0016805700000000, -0.0011838700000000 ] - [ -0.0324916400000000, -0.0052194100000000, 0.0615306200000000 ] - [ -0.0003941600000000, -0.0000777800000000, 0.0007398000000000 ] - [ -0.0053618300000000, 0.0035984300000000, -0.0121457600000000 ] - [ -0.0001178500000000, -0.0005205000000000, -0.0001902100000000 ] - [ -0.0005688200000000, 0.0002178000000000, 0.0007422800000000 ] - [ -0.0009312000000000, -0.0009141200000000, 0.0011056000000000 ] - [ 0.0005621800000000, 0.0002342900000000, -0.0002754100000000 ] - [ 0.0013454700000000, -0.0019312200000000, -0.0011532800000000 ] - [ 0.0014830000000000, -0.0010444000000000, 0.0026561200000000 ] - [ 0.0000719600000000, -0.0003999500000000, 0.0009495500000000 ] - [ -0.0002083400000000, -0.0003334900000000, -0.0017942900000000 ] - [ 0.0001207800000000, -0.0000398500000000, -0.0007918300000000 ] - [ 0.0374175700000000, 0.0076889100000000, 0.0410307900000000 ] - [ 0.0000539000000000, 0.0003180400000000, 0.0008850200000000 ] - [ 0.0047624600000000, -0.0000348900000000, -0.0149308000000000 ] - [ 0.0002823700000000, -0.0003943300000000, -0.0007669000000000 ] - [ -0.0049631200000000, -0.0106211900000000, -0.0042217100000000 ] - [ -0.0009359600000000, 0.0011714900000000, 0.0000944500000000 ] - [ -0.0078436800000000, -0.0018621400000000, -0.0039189900000000 ] - [ -0.0001061100000000, -0.0000674100000000, -0.0000685100000000 ] - [ -0.0011436700000000, -0.0003256200000000, 0.0002990100000000 ] - [ -0.0003796700000000, -0.0004187600000000, 0.0000533700000000 ] - [ 0.0127841700000000, -0.0033127900000000, -0.0035905300000000 ] - [ 0.0008541500000000, -0.0000003600000000, 0.0000371600000000 ] - [ 0.0026896600000000, 0.0002909900000000, -0.0000706800000000 ] - [ 0.0003574800000000, -0.0001376100000000, 0.0001514200000000 ] - [ -0.0059596400000000, -0.0027182900000000, -0.0024755600000000 ] - [ -0.0005274100000000, -0.0004035000000000, -0.0001471600000000 ] - [ -0.0034427600000000, -0.0083909700000000, -0.0084350300000000 ] - [ 0.0000462000000000, 0.0005223900000000, -0.0000475200000000 ] - [ -0.0000099000000000, 0.0009066000000000, 0.0013473500000000 ] - [ 0.0003813000000000, -0.0012001500000000, 0.0005372800000000 ] - [ 0.0038256900000000, -0.0099473500000000, 0.0091370200000000 ] - [ 0.0005904000000000, 0.0020741900000000, -0.0001590000000000 ] - [ -0.0001655000000000, -0.0010943100000000, 0.0005549300000000 ] - [ -0.0003513600000000, 0.0001420200000000, 0.0000796900000000 ] - [ 0.0005375500000000, -0.0017384100000000, 0.0045295900000000 ] - [ -0.0000766700000000, 0.0023582100000000, 0.0012037400000000 ] - [ 0.0030962300000000, -0.0021528200000000, -0.0024660500000000 ] - [ 0.0004962200000000, 0.0012240300000000, -0.0005182300000000 ] - [ -0.0047944400000000, -0.0043221500000000, 0.0013131900000000 ] - [ -0.0007583800000000, 0.0010939300000000, -0.0000437200000000 ] - [ -0.0001173000000000, -0.0005453300000000, -0.0001065200000000 ] - [ 0.0001733300000000, 0.0007800400000000, -0.0001809500000000 ] - [ 0.0015484100000000, -0.0017674100000000, 0.0005091400000000 ] - [ 0.0003408800000000, 0.0015821600000000, -0.0001769000000000 ] - [ -0.0051942000000000, -0.0042019900000000, -0.0068928600000000 ] - [ 0.0001169500000000, 0.0006520900000000, -0.0011438900000000 ] - [ 0.0263680100000000, 0.0097921200000000, 0.0337858000000000 ] - [ 0.0007526600000000, -0.0001373400000000, -0.0004146900000000 ] - [ 0.0029124700000000, 0.0028753000000000, 0.0010795400000000 ] - [ 0.0001361000000000, 0.0004526400000000, 0.0007429500000000 ] - [ -0.0063067300000000, 0.0040712700000000, -0.0014835100000000 ] - [ -0.0004993400000000, 0.0002013900000000, -0.0004101100000000 ] - [ -0.0019980600000000, -0.0042258000000000, 0.0143538200000000 ] - [ -0.0000637500000000, 0.0018186600000000, 0.0014427700000000 ] - [ 0.0004400000000000, -0.0026144200000000, -0.0056161700000000 ] - [ -0.0000571200000000, 0.0012463100000000, -0.0008324300000000 ] - [ -0.0008254100000000, -0.0001780000000000, 0.0033607700000000 ] - [ 0.0002431000000000, 0.0006093400000000, 0.0029256400000000 ] - [ -0.0126630900000000, 0.0331932200000000, 0.0355350800000000 ] - [ -0.0004100900000000, -0.0008719400000000, 0.0008512700000000 ] - [ -0.0066675000000000, -0.0029367300000000, -0.0108020600000000 ] - [ 0.0070536600000000, -0.0012320400000000, -0.0145848900000000 ] - [ 0.0215612700000000, 0.0195769100000000, 0.0212439900000000 ] - [ 0.0011629800000000, -0.0005592900000000, 0.0009174600000000 ] - [ 0.0049244100000000, -0.0009034000000000, 0.0014921300000000 ] - [ 0.0006068000000000, 0.0009044000000000, 0.0002072500000000 ] - [ -0.0095404400000000, 0.0000454300000000, -0.0008140400000000 ] - [ -0.0015619900000000, 0.0002963900000000, -0.0001114000000000 ] - [ 0.0014156200000000, 0.0073709600000000, -0.3622540400000000 ] - [ 0.0003163200000000, 0.0004529900000000, -0.0018866600000000 ] - [ -0.0025868300000000, -0.0040594800000000, 0.0175367100000000 ] - [ 0.0000695800000000, 0.0018966100000000, 0.0014877300000000 ] - [ -0.0005849800000000, 0.0000906100000000, -0.0039383100000000 ] - [ -0.0006415300000000, 0.0004559600000000, -0.0029258200000000 ] - [ 0.0002705200000000, -0.0000751100000000, 0.0056859100000000 ] - [ -0.0018989400000000, 0.0014597000000000, 0.0056902600000000 ] - [ -0.0202698100000000, 0.0301551200000000, 0.0354199500000000 ] - [ -0.0003605700000000, -0.0010357300000000, 0.0011223100000000 ]- atom: 119 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0012158400000000, 0.0010223900000000, -0.0017604700000000 ] - [ 0.0002871600000000, 0.0002424900000000, -0.0007132900000000 ] - [ 0.0027326300000000, 0.0018948700000000, 0.0038754100000000 ] - [ 0.0007439800000000, -0.0002097000000000, 0.0019604300000000 ] - [ 0.0506051400000000, -0.0007855200000000, -0.0934873200000000 ] - [ 0.0004364500000000, -0.0001699800000000, -0.0008339000000000 ] - [ -0.0025316100000000, -0.0007339200000000, 0.0030359300000000 ] - [ -0.0001541900000000, 0.0003499300000000, 0.0003939800000000 ] - [ -0.0390464200000000, -0.0041794200000000, -0.0419979900000000 ] - [ -0.0002366100000000, -0.0000066100000000, -0.0005011600000000 ] - [ 0.0007810700000000, -0.0014623800000000, 0.0024886800000000 ] - [ 0.0001518500000000, 0.0004146700000000, 0.0001811800000000 ] - [ -0.0018546100000000, 0.0007563400000000, -0.0017023100000000 ] - [ -0.0005931700000000, 0.0000138100000000, -0.0008994000000000 ] - [ -0.0028068900000000, 0.0025156300000000, 0.0036082800000000 ] - [ -0.0005645000000000, -0.0002553900000000, 0.0015982600000000 ] - [ 0.0027511500000000, -0.0018655200000000, -0.0020275400000000 ] - [ 0.0003159500000000, 0.0001891000000000, -0.0000179200000000 ] - [ 0.0040469500000000, -0.0025493900000000, 0.0122607300000000 ] - [ 0.0001743500000000, 0.0006249300000000, 0.0008268500000000 ] - [ -0.0000128100000000, -0.0022282900000000, -0.0012921800000000 ] - [ 0.0005573400000000, 0.0110482500000000, -0.0084294800000000 ] - [ -0.0003644200000000, -0.0002150600000000, 0.0011645500000000 ] - [ -0.0010586800000000, 0.0010397600000000, 0.0022270500000000 ] - [ -0.0013982500000000, 0.0073783900000000, -0.0059587400000000 ] - [ 0.0008993700000000, -0.0022269600000000, -0.0013971200000000 ] - [ 0.0004357800000000, 0.0008764500000000, 0.0019363600000000 ] - [ 0.0001157500000000, 0.0004394600000000, 0.0008752100000000 ] - [ -0.0030897900000000, -0.0011923100000000, -0.0040138300000000 ] - [ -0.0005275800000000, 0.0003672600000000, -0.0003138600000000 ] - [ -0.0099522500000000, 0.0080247900000000, 0.0016298700000000 ] - [ -0.0010524900000000, -0.0007641600000000, 0.0002469100000000 ] - [ -0.0044732700000000, -0.0032205100000000, 0.0138458600000000 ] - [ 0.0000927100000000, 0.0003170300000000, 0.0004046600000000 ] - [ -0.0002288400000000, -0.0014832800000000, 0.0030881600000000 ] - [ -0.0002343800000000, 0.0013656600000000, 0.0008202300000000 ] - [ -0.0055893500000000, 0.0207119400000000, -0.0211676000000000 ] - [ 0.0003936900000000, -0.0024911800000000, -0.0019472500000000 ] - [ -0.0005500100000000, -0.0010025000000000, 0.0033683900000000 ] - [ 0.0000481100000000, 0.0007445800000000, 0.0007812100000000 ] - [ 0.0025506300000000, 0.0279547300000000, -0.0295302600000000 ] - [ -0.0004161600000000, -0.0019310100000000, -0.0020077600000000 ] - [ -0.0002294200000000, -0.0006684700000000, 0.0027836700000000 ] - [ 0.0000063800000000, 0.0009312800000000, 0.0008228000000000 ] - [ -0.0001191400000000, -0.0014144100000000, -0.0016385400000000 ] - [ 0.0002367900000000, 0.0011740400000000, -0.0007245800000000 ] - [ -0.0007360500000000, -0.0022691100000000, 0.0030792700000000 ] - [ -0.0000720400000000, 0.0016140900000000, 0.0007678000000000 ] - [ 0.0349485000000000, 0.0050547800000000, -0.0651263300000000 ] - [ -0.0001099500000000, 0.0000007500000000, -0.0002986600000000 ] - [ 0.0058263400000000, -0.0035442900000000, 0.0125779300000000 ] - [ 0.0006291400000000, 0.0005995300000000, 0.0006432400000000 ] - [ 0.0000567500000000, -0.0001497800000000, -0.0002884700000000 ] - [ 0.0004174100000000, 0.0009891000000000, -0.0006547000000000 ] - [ -0.0000499900000000, -0.0003057800000000, 0.0007306400000000 ] - [ -0.0008326100000000, 0.0018585100000000, 0.0016098500000000 ] - [ -0.0016444600000000, 0.0005880000000000, -0.0024049800000000 ] - [ -0.0002324200000000, -0.0000556700000000, -0.0007019300000000 ] - [ 0.0003696900000000, 0.0007864400000000, 0.0020360300000000 ] - [ 0.0000393000000000, 0.0004912100000000, 0.0010300100000000 ] - [ -0.0359888300000000, -0.0068742700000000, -0.0402064400000000 ] - [ -0.0002091900000000, 0.0001439100000000, -0.0006205900000000 ] - [ -0.0046426000000000, -0.0004246200000000, 0.0151490200000000 ] - [ -0.0001238500000000, -0.0000607000000000, 0.0010068900000000 ] - [ 0.0040729000000000, 0.0110040700000000, 0.0044379500000000 ] - [ 0.0000048400000000, -0.0008548100000000, 0.0000918500000000 ] - [ 0.0087840300000000, 0.0015542500000000, 0.0041462700000000 ] - [ 0.0010375100000000, -0.0002566100000000, 0.0002688200000000 ] - [ 0.0002008800000000, -0.0000031000000000, -0.0001042500000000 ] - [ -0.0005604700000000, 0.0000952100000000, 0.0001437400000000 ] - [ -0.0118891300000000, 0.0036285700000000, 0.0037809700000000 ] - [ 0.0000737700000000, 0.0003241300000000, 0.0001636000000000 ] - [ -0.0023311000000000, 0.0000611900000000, 0.0002495000000000 ] - [ 0.0000076500000000, 0.0004898600000000, 0.0000263400000000 ] - [ 0.0055563500000000, 0.0023532900000000, 0.0026299400000000 ] - [ 0.0001608800000000, 0.0000588600000000, 0.0003214200000000 ] - [ 0.0037999400000000, 0.0080194600000000, 0.0085831600000000 ] - [ 0.0003263000000000, -0.0008740300000000, 0.0002295400000000 ] - [ 0.0000612800000000, -0.0011404800000000, -0.0013526900000000 ] - [ -0.0003532600000000, 0.0009883700000000, -0.0005472200000000 ] - [ -0.0033435700000000, 0.0096660400000000, -0.0096412300000000 ] - [ -0.0000680900000000, -0.0024841800000000, -0.0002326600000000 ] - [ -0.0001867400000000, 0.0002856800000000, -0.0009211000000000 ] - [ -0.0000001300000000, -0.0009482100000000, -0.0004428400000000 ] - [ -0.0008899000000000, 0.0025325000000000, -0.0048792900000000 ] - [ -0.0002763700000000, -0.0015407800000000, -0.0015643200000000 ] - [ -0.0027462800000000, 0.0029626500000000, 0.0021058900000000 ] - [ -0.0001422800000000, -0.0004153900000000, 0.0001567700000000 ] - [ 0.0042465100000000, 0.0039114100000000, -0.0017037000000000 ] - [ 0.0002323900000000, -0.0014867500000000, -0.0003554400000000 ] - [ 0.0006430000000000, 0.0009417700000000, -0.0002883300000000 ] - [ 0.0003525200000000, -0.0003857900000000, -0.0002158800000000 ] - [ -0.0020671800000000, 0.0021600300000000, -0.0009130200000000 ] - [ -0.0008640000000000, -0.0011867300000000, -0.0002236100000000 ] - [ 0.0055497600000000, 0.0034062700000000, 0.0065556800000000 ] - [ 0.0002314900000000, -0.0014607300000000, 0.0007861000000000 ] - [ -0.0258671500000000, -0.0095975000000000, -0.0334793900000000 ] - [ -0.0005767300000000, 0.0001998300000000, 0.0005862400000000 ] - [ -0.0030821300000000, -0.0028069700000000, -0.0008877200000000 ] - [ -0.0003164800000000, -0.0003885600000000, -0.0005494100000000 ] - [ 0.0064727700000000, -0.0041361400000000, 0.0016671500000000 ] - [ 0.0006824900000000, -0.0002654700000000, 0.0005900500000000 ] - [ 0.0017169700000000, 0.0044009400000000, -0.0145033900000000 ] - [ -0.0001890200000000, -0.0016503900000000, -0.0015732300000000 ] - [ -0.0001847200000000, 0.0024512000000000, 0.0054966100000000 ] - [ 0.0003115700000000, -0.0014168500000000, 0.0007046600000000 ] - [ 0.0005864000000000, 0.0000227800000000, -0.0034921300000000 ] - [ -0.0004952000000000, -0.0007905800000000, -0.0030658800000000 ] - [ 0.0127495700000000, -0.0334127700000000, -0.0356323300000000 ] - [ 0.0002298700000000, 0.0008147400000000, -0.0006551400000000 ] - [ 0.0069579700000000, 0.0031983400000000, 0.0106780700000000 ] - [ -0.0067515000000000, 0.0013435300000000, 0.0143822100000000 ] - [ -0.0220877100000000, -0.0197875000000000, -0.0212911700000000 ] - [ -0.0014507800000000, 0.0004344200000000, -0.0009492000000000 ] - [ -0.0046348300000000, 0.0010355300000000, -0.0015618600000000 ] - [ -0.0003237000000000, -0.0007787500000000, -0.0002698300000000 ] - [ 0.0092862800000000, 0.0000898000000000, 0.0007644000000000 ] - [ 0.0012787700000000, -0.0001663700000000, 0.0000599900000000 ] - [ -0.0001861300000000, -0.0083633400000000, 0.3607267900000000 ] - [ -0.0003687600000000, -0.0002916200000000, 0.0017220200000000 ] - [ 0.0026859500000000, 0.0039023200000000, -0.0176778800000000 ] - [ -0.0000168900000000, -0.0020534900000000, -0.0016539300000000 ] - [ 0.0005332000000000, -0.0002496500000000, 0.0037727600000000 ] - [ 0.0005947300000000, -0.0006113700000000, 0.0027620000000000 ] - [ -0.0002272200000000, 0.0002232500000000, -0.0058583300000000 ] - [ 0.0019399900000000, -0.0012938500000000, -0.0058541700000000 ] - [ 0.0203263000000000, -0.0301518500000000, -0.0352389600000000 ] - [ 0.0006432700000000, 0.0009064000000000, -0.0012017200000000 ]