# Fileset [phono3py_mlp_eval_fc3_disp.yaml.xz](https://mdr.nims.go.jp/filesets/158251c8-d8a1-4155-8620-cef47bec5cdf/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 [First-principles lattice thermal conductivity calculation for Li3Zn2SbO6 / C2/m (12) / materials id 557328](https://mdr.nims.go.jp/datasets/fdb6ba02-876b-4454-85ad-c430de324ce0) ## Fulltext phono3py: version: "3.21.0" frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05space_group: type: "C2/m" number: 12 Hall_symbol: "-C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, -0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 2.623318555002602, -4.521403940000000, 0.000000000000000 ] # a - [ 2.623318555002602, 4.521403940000000, 0.000000000000000 ] # b - [ -1.784238417285545, 0.000000000000000, 4.861327896867049 ] # c points: - symbol: Li # 1 coordinates: [ 0.171444176664316, 0.828555823335684, 0.500000000000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.828555823335684, 0.171444176664316, 0.500000000000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 - symbol: Zn # 4 coordinates: [ 0.333560933282145, 0.666439066717855, 0.000000000000000 ] mass: 65.380000 - symbol: Zn # 5 coordinates: [ 0.666439066717855, 0.333560933282145, 0.000000000000000 ] mass: 65.380000 - symbol: Sb # 6 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 - symbol: O # 7 coordinates: [ 0.921952425511350, 0.605808321182800, 0.762504829153281 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.762508385848867, 0.762508385848867, 0.230637242150958 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.078047574488650, 0.394191678817200, 0.237495170846719 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.605808321182800, 0.921952425511350, 0.762504829153281 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.237491614151132, 0.237491614151132, 0.769362757849042 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.394191678817200, 0.078047574488650, 0.237495170846719 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.190598278293924, -0.110585120603049, 0.069954707358799 ] # a* - [ 0.190598278293924, 0.110585120603049, 0.069954707358799 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.205705112104136 ] # c*unit_cell: lattice: - [ 5.246637110005205, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.042807880000000, 0.000000000000000 ] # b - [ -1.784238417285545, 0.000000000000000, 4.861327896867049 ] # c points: - symbol: Li # 1 coordinates: [ 0.500000000000000, 0.328555823335684, 0.500000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.500000000000000, 0.671444176664316, 0.500000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.000000000000000, 0.828555823335684, 0.500000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.000000000000000, 0.171444176664316, 0.500000000000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 6 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 6.941000 reduced_to: 3 - symbol: Zn # 7 coordinates: [ 0.500000000000000, 0.166439066717855, 0.000000000000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.500000000000000, 0.833560933282145, 0.000000000000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 9 coordinates: [ 0.000000000000000, 0.666439066717855, 0.000000000000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 10 coordinates: [ 0.000000000000000, 0.333560933282145, 0.000000000000000 ] mass: 65.380000 reduced_to: 8 - symbol: Sb # 11 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 11 - symbol: Sb # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.763880373347075, 0.841927947835725, 0.762504829153281 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.762508385848867, 0.000000000000000, 0.230637242150958 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.236119626652925, 0.158072052164275, 0.237495170846719 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.763880373347075, 0.158072052164275, 0.762504829153281 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.237491614151132, 0.000000000000000, 0.769362757849042 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.236119626652925, 0.841927947835725, 0.237495170846719 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.263880373347075, 0.341927947835725, 0.762504829153281 ] mass: 15.999400 reduced_to: 13 - symbol: O # 20 coordinates: [ 0.262508385848868, 0.500000000000000, 0.230637242150958 ] mass: 15.999400 reduced_to: 14 - symbol: O # 21 coordinates: [ 0.736119626652925, 0.658072052164275, 0.237495170846719 ] mass: 15.999400 reduced_to: 15 - symbol: O # 22 coordinates: [ 0.263880373347075, 0.658072052164275, 0.762504829153281 ] mass: 15.999400 reduced_to: 16 - symbol: O # 23 coordinates: [ 0.737491614151133, 0.500000000000000, 0.769362757849042 ] mass: 15.999400 reduced_to: 17 - symbol: O # 24 coordinates: [ 0.736119626652925, 0.341927947835725, 0.237495170846719 ] mass: 15.999400 reduced_to: 18supercell: lattice: - [ 10.493274220010409, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 9.042807880000000, 0.000000000000000 ] # b - [ -3.568476834571090, 0.000000000000000, 9.722655793734098 ] # c points: - symbol: Li # 1 coordinates: [ 0.250000000000000, 0.328555823335684, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.750000000000000, 0.328555823335684, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.250000000000000, 0.328555823335684, 0.750000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.750000000000000, 0.328555823335684, 0.750000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.250000000000000, 0.671444176664316, 0.250000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.750000000000000, 0.671444176664316, 0.250000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 7 coordinates: [ 0.250000000000000, 0.671444176664316, 0.750000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 8 coordinates: [ 0.750000000000000, 0.671444176664316, 0.750000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 9 coordinates: [ 0.250000000000000, 0.000000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.750000000000000, 0.000000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 11 coordinates: [ 0.250000000000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 12 coordinates: [ 0.750000000000000, 0.000000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 13 coordinates: [ 0.000000000000000, 0.828555823335684, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 14 coordinates: [ 0.500000000000000, 0.828555823335684, 0.250000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 15 coordinates: [ 0.000000000000000, 0.828555823335684, 0.750000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 16 coordinates: [ 0.500000000000000, 0.828555823335684, 0.750000000000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 17 coordinates: [ 0.000000000000000, 0.171444176664316, 0.250000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 18 coordinates: [ 0.500000000000000, 0.171444176664316, 0.250000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 19 coordinates: [ 0.000000000000000, 0.171444176664316, 0.750000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 20 coordinates: [ 0.500000000000000, 0.171444176664316, 0.750000000000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 22 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 23 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 24 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Zn # 25 coordinates: [ 0.250000000000000, 0.166439066717855, 0.000000000000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 26 coordinates: [ 0.750000000000000, 0.166439066717855, 0.000000000000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 27 coordinates: [ 0.250000000000000, 0.166439066717855, 0.500000000000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 28 coordinates: [ 0.750000000000000, 0.166439066717855, 0.500000000000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 29 coordinates: [ 0.250000000000000, 0.833560933282145, 0.000000000000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 30 coordinates: [ 0.750000000000000, 0.833560933282145, 0.000000000000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 31 coordinates: [ 0.250000000000000, 0.833560933282145, 0.500000000000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 32 coordinates: [ 0.750000000000000, 0.833560933282145, 0.500000000000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 33 coordinates: [ 0.000000000000000, 0.666439066717855, 0.000000000000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 34 coordinates: [ 0.500000000000000, 0.666439066717855, 0.000000000000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 35 coordinates: [ 0.000000000000000, 0.666439066717855, 0.500000000000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 36 coordinates: [ 0.500000000000000, 0.666439066717855, 0.500000000000000 ] mass: 65.380000 reduced_to: 25 - symbol: Zn # 37 coordinates: [ 0.000000000000000, 0.333560933282145, 0.000000000000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 38 coordinates: [ 0.500000000000000, 0.333560933282145, 0.000000000000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 39 coordinates: [ 0.000000000000000, 0.333560933282145, 0.500000000000000 ] mass: 65.380000 reduced_to: 29 - symbol: Zn # 40 coordinates: [ 0.500000000000000, 0.333560933282145, 0.500000000000000 ] mass: 65.380000 reduced_to: 29 - symbol: Sb # 41 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 41 - symbol: Sb # 42 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 41 - symbol: Sb # 43 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 41 - symbol: Sb # 44 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 41 - symbol: Sb # 45 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 41 - symbol: Sb # 46 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 41 - symbol: Sb # 47 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 41 - symbol: Sb # 48 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 41 - symbol: O # 49 coordinates: [ 0.381940186673538, 0.841927947835725, 0.381252414576640 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.881940186673537, 0.841927947835725, 0.381252414576640 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.381940186673538, 0.841927947835725, 0.881252414576640 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.881940186673537, 0.841927947835725, 0.881252414576640 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.381254192924434, 0.000000000000000, 0.115318621075479 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.881254192924434, 0.000000000000000, 0.115318621075479 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.381254192924434, 0.000000000000000, 0.615318621075479 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.881254192924434, 0.000000000000000, 0.615318621075479 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.118059813326462, 0.158072052164275, 0.118747585423360 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.618059813326463, 0.158072052164275, 0.118747585423360 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.118059813326462, 0.158072052164275, 0.618747585423360 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.618059813326463, 0.158072052164275, 0.618747585423360 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.381940186673538, 0.158072052164275, 0.381252414576640 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.881940186673537, 0.158072052164275, 0.381252414576640 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.381940186673538, 0.158072052164275, 0.881252414576640 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.881940186673537, 0.158072052164275, 0.881252414576640 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.118745807075566, 0.000000000000000, 0.384681378924521 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.618745807075566, 0.000000000000000, 0.384681378924521 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.118745807075566, 0.000000000000000, 0.884681378924521 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.618745807075566, 0.000000000000000, 0.884681378924521 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.118059813326462, 0.841927947835725, 0.118747585423360 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.618059813326463, 0.841927947835725, 0.118747585423360 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.118059813326462, 0.841927947835725, 0.618747585423360 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.618059813326463, 0.841927947835725, 0.618747585423360 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.131940186673537, 0.341927947835725, 0.381252414576640 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.631940186673537, 0.341927947835725, 0.381252414576640 ] mass: 15.999400 reduced_to: 49 - symbol: O # 75 coordinates: [ 0.131940186673537, 0.341927947835725, 0.881252414576640 ] mass: 15.999400 reduced_to: 49 - symbol: O # 76 coordinates: [ 0.631940186673537, 0.341927947835725, 0.881252414576640 ] mass: 15.999400 reduced_to: 49 - symbol: O # 77 coordinates: [ 0.131254192924434, 0.500000000000000, 0.115318621075479 ] mass: 15.999400 reduced_to: 53 - symbol: O # 78 coordinates: [ 0.631254192924434, 0.500000000000000, 0.115318621075479 ] mass: 15.999400 reduced_to: 53 - symbol: O # 79 coordinates: [ 0.131254192924434, 0.500000000000000, 0.615318621075479 ] mass: 15.999400 reduced_to: 53 - symbol: O # 80 coordinates: [ 0.631254192924434, 0.500000000000000, 0.615318621075479 ] mass: 15.999400 reduced_to: 53 - symbol: O # 81 coordinates: [ 0.368059813326462, 0.658072052164275, 0.118747585423360 ] mass: 15.999400 reduced_to: 57 - symbol: O # 82 coordinates: [ 0.868059813326463, 0.658072052164275, 0.118747585423360 ] mass: 15.999400 reduced_to: 57 - symbol: O # 83 coordinates: [ 0.368059813326462, 0.658072052164275, 0.618747585423360 ] mass: 15.999400 reduced_to: 57 - symbol: O # 84 coordinates: [ 0.868059813326463, 0.658072052164275, 0.618747585423360 ] mass: 15.999400 reduced_to: 57 - symbol: O # 85 coordinates: [ 0.131940186673537, 0.658072052164275, 0.381252414576640 ] mass: 15.999400 reduced_to: 61 - symbol: O # 86 coordinates: [ 0.631940186673537, 0.658072052164275, 0.381252414576640 ] mass: 15.999400 reduced_to: 61 - symbol: O # 87 coordinates: [ 0.131940186673537, 0.658072052164275, 0.881252414576640 ] mass: 15.999400 reduced_to: 61 - symbol: O # 88 coordinates: [ 0.631940186673537, 0.658072052164275, 0.881252414576640 ] mass: 15.999400 reduced_to: 61 - symbol: O # 89 coordinates: [ 0.368745807075566, 0.500000000000000, 0.384681378924521 ] mass: 15.999400 reduced_to: 65 - symbol: O # 90 coordinates: [ 0.868745807075566, 0.500000000000000, 0.384681378924521 ] mass: 15.999400 reduced_to: 65 - symbol: O # 91 coordinates: [ 0.368745807075566, 0.500000000000000, 0.884681378924521 ] mass: 15.999400 reduced_to: 65 - symbol: O # 92 coordinates: [ 0.868745807075566, 0.500000000000000, 0.884681378924521 ] mass: 15.999400 reduced_to: 65 - symbol: O # 93 coordinates: [ 0.368059813326462, 0.341927947835725, 0.118747585423360 ] mass: 15.999400 reduced_to: 69 - symbol: O # 94 coordinates: [ 0.868059813326463, 0.341927947835725, 0.118747585423360 ] mass: 15.999400 reduced_to: 69 - symbol: O # 95 coordinates: [ 0.368059813326462, 0.341927947835725, 0.618747585423360 ] mass: 15.999400 reduced_to: 69 - symbol: O # 96 coordinates: [ 0.868059813326463, 0.341927947835725, 0.618747585423360 ] mass: 15.999400 reduced_to: 69nac: born_effective_charge: - # 1 (Li) - [ 1.018478648333334, 0.000000000000000, 0.009830348333333 ] - [ 0.000000000000000, 1.158900150833333, 0.000000000000000 ] - [ 0.004797851666667, 0.000000000000000, 1.458202190833333 ] - # 2 (Li) - [ 1.018478648333334, 0.000000000000000, 0.009830348333333 ] - [ 0.000000000000000, 1.158900150833333, 0.000000000000000 ] - [ 0.004797851666667, 0.000000000000000, 1.458202190833333 ] - # 3 (Li) - [ 1.211922028333333, 0.000000000000000, -0.008694961666667 ] - [ 0.000000000000000, 0.948644990833334, 0.000000000000000 ] - [ 0.005702341666667, 0.000000000000000, 1.455002850833333 ] - # 4 (Zn) - [ 2.470734268333334, 0.000000000000000, 0.007356858333333 ] - [ 0.000000000000000, 2.469915670833333, 0.000000000000000 ] - [ -0.001290718333333, 0.000000000000000, 1.407241360833334 ] - # 5 (Zn) - [ 2.470734268333334, 0.000000000000000, 0.007356858333333 ] - [ 0.000000000000000, 2.469915670833333, 0.000000000000000 ] - [ -0.001290718333333, 0.000000000000000, 1.407241360833334 ] - # 6 (Sb) - [ 4.666079728333333, 0.000000000000000, -0.008647021666667 ] - [ 0.000000000000000, 4.668930160833335, 0.000000000000000 ] - [ 0.018980781666667, 0.000000000000000, 3.150273500833334 ] - # 7 (O) - [ -2.051644961666667, -0.181661290000000, -0.070682661666667 ] - [ -0.162683300000000, -2.250214799166667, -0.135463960000000 ] - [ -0.075568438333333, -0.133634250000000, -1.740240239166667 ] - # 8 (O) - [ -2.324923871666666, 0.000000000000000, 0.132849108333333 ] - [ 0.000000000000000, -1.937173799166667, 0.000000000000000 ] - [ 0.135288181666667, 0.000000000000000, -1.687601249166667 ] - # 9 (O) - [ -2.051644961666667, -0.181661290000000, -0.070682661666667 ] - 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