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H\n0.899429 0.269700 0.876909 H\n0.100571 0.730300 0.123091 H\n0.095551 0.313012 0.890366 H\n0.904449 0.686988 0.109634 H\n0.006138 0.386862 0.815667 H\n0.993862 0.613138 0.184333 H\n0.447645 0.403664 0.092825 H\n0.552355 0.596336 0.907175 H\n0.426828 0.485077 0.164017 H\n0.573172 0.514923 0.835983 H\n0.241520 0.437687 0.133368 H\n0.758480 0.562313 0.866632 H\n0.309046 0.383538 0.221579 H\n0.690954 0.616462 0.778421 H\n0.335149 0.543448 0.838394 H\n0.664851 0.456552 0.161606 H\n0.365366 0.402572 0.874940 H\n0.634634 0.597428 0.125060 H\n0.135983 0.591905 0.907689 H\n0.864017 0.408095 0.092311 H\n0.176038 0.499793 0.837315 H\n0.823962 0.500207 0.162685 H\n0.624763 0.039661 0.359766 C\n0.375237 0.960339 0.640234 C\n0.582932 0.103724 0.278701 C\n0.417068 0.896276 0.721299 C\n0.708936 0.930091 0.600466 C\n0.291064 0.069909 0.399534 C\n0.808910 0.949084 0.603733 C\n0.191090 0.050916 0.396267 C\n0.047044 0.441640 0.373755 C\n0.952956 0.558360 0.626245 C\n0.046943 0.371213 0.317990 C\n0.953057 0.628787 0.682010 C\n0.907728 0.304413 0.609680 C\n0.092272 0.695587 0.390320 C\n0.886104 0.209868 0.601115 C\n0.113896 0.790132 0.398885 C\n0.423351 0.620181 0.382449 C\n0.576649 0.379819 0.617551 C\n0.440986 0.591242 0.297599 C\n0.559014 0.408758 0.702401 C\n0.313185 0.672532 0.632772 C\n0.686815 0.327468 0.367228 C\n0.204333 0.773341 0.642840 C\n0.795667 0.226659 0.357160 C\n0.537777 0.876307 0.155326 C\n0.462223 0.123693 0.844674 C\n0.631950 0.788806 0.200331 C\n0.368050 0.211194 0.799669 C\n0.721641 0.878312 0.905896 C\n0.278359 0.121688 0.094104 C\n0.829727 0.776418 0.896126 C\n0.170273 0.223582 0.103874 C\n0.972310 0.070851 0.136478 C\n0.027690 0.929149 0.863522 C\n0.997461 0.998057 0.219817 C\n0.002539 0.001943 0.780183 C\n0.983859 0.242758 0.888484 C\n0.016141 0.757242 0.111516 C\n0.010896 0.340445 0.879317 C\n0.989104 0.659555 0.120683 C\n0.385282 0.474804 0.121692 C\n0.614718 0.525196 0.878308 C\n0.283569 0.454151 0.171812 C\n0.716431 0.545849 0.828188 C\n0.311660 0.485299 0.888903 C\n0.688340 0.514701 0.111097 C\n0.189946 0.508387 0.895755 C\n0.810054 0.491613 0.104245 C\n0.590699 0.076934 0.502667 C\n0.409301 0.923066 0.497333 C\n0.072051 0.331238 0.515925 C\n0.927949 0.668762 0.484075 C\n0.332289 0.569640 0.525634 C\n0.667711 0.430360 0.474366 C\n0.571452 0.839618 0.011131 C\n0.428548 0.160382 0.988869 C\n0.079578 0.086602 0.993035 C\n0.920422 0.913398 0.006965 C\n0.330420 0.582188 0.984961 C\n0.669580 0.417812 0.015039 C\n0.521925 0.161175 0.576759 S\n0.478075 0.838825 0.423241 S\n0.156947 0.255573 0.589447 S\n0.843053 0.744427 0.410553 S\n0.267062 0.492769 0.595783 S\n0.732938 0.507231 0.404217 S\n0.536600 0.799158 0.938678 S\n0.463400 0.200842 0.061322 S\n0.199691 0.040996 0.921129 S\n0.800309 0.959004 0.078871 S\n0.288549 0.704825 0.917970 S\n0.711451 0.295175 0.082030 S\n0.567881 0.107632 0.425026 N\n0.432119 0.892368 0.574974 N\n0.671737 0.976729 0.520329 N\n0.328263 0.023271 0.479671 N\n0.110015 0.378614 0.441529 N\n0.889985 0.621386 0.558471 N\n0.964842 0.345642 0.531822 N\n0.035158 0.654358 0.468178 N\n0.369155 0.556624 0.445474 N\n0.630845 0.443376 0.554526 N\n0.347585 0.646891 0.548728 N\n0.652415 0.353109 0.451272 N\n0.516373 0.840051 0.090452 N\n0.483627 0.159949 0.909548 N\n0.655950 0.871377 0.989518 N\n0.344050 0.128623 0.010482 N\n0.071295 0.035400 0.072493 N\n0.928705 0.964600 0.927507 N\n0.990008 0.176637 0.971423 N\n0.009992 0.823363 0.028577 N\n0.359081 0.573040 0.057680 N\n0.640919 0.426960 0.942320 N\n0.336882 0.491144 0.965548 N\n0.663118 0.508856 0.034452 N\n0.365360 0.354186 0.377382 Cl\n0.634640 0.645814 0.622618 Cl\n0.281792 0.804965 0.140462 Cl\n0.718208 0.195035 0.859538 Cl\n",
"nsites": 248,
"nelements": 6,
"elements": [
"Ag",
"H",
"C",
"S",
"N",
"Cl"
],
"chemical_system": "Ag-C-Cl-H-N-S",
"density": 1.314353279709431,
"density_atomic": 0.09087799602902329,
"volume": 2728.9334144295763,
"volume_molar": 6.626621429984808,
"formula_full": "Ag4 H144 C60 S12 N24 Cl4",
"formula_reduced": "AgH36C15S3N6Cl",
"formula_anonymous": "ABC3D6E15F36",
"energy": -1364.40809553,
"energy_per_atom": -5.501645546491936,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1355.91609553,
"band_gap": 3.459,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0446255,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.861000Z",
"spacegroup": 2
}
]
}