Relaxation

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            "id": 1,
            "created_at": "2023-09-27T19:13:06.571375Z",
            "updated_at": "2023-09-27T19:13:06.571415Z",
            "source": null,
            "structure_string": "Ga2 P2 H8 N2 O10\n1.0\n4.534158 0.000000 -0.664583\n-0.000000 6.225755 0.000000\n0.000000 0.000000 8.553209\nGa P H N O\n2 2 8 2 10\ndirect\n0.000000 0.000000 0.000000 Ga3+\n0.000000 0.500000 0.000000 Ga3+\n0.421670 0.750000 0.793349 P5+\n0.578330 0.250000 0.206651 P5+\n0.161913 0.118149 0.658749 H+\n0.838087 0.881851 0.341251 H+\n0.838087 0.618149 0.341251 H+\n0.161913 0.381851 0.658749 H+\n0.094052 0.750000 0.473265 H+\n0.905948 0.250000 0.526735 H+\n0.272112 0.250000 0.501717 H+\n0.727888 0.750000 0.498283 H+\n0.122697 0.250000 0.583570 N2-\n0.877303 0.750000 0.416430 N2-\n0.256328 0.543876 0.836013 O2-\n0.743672 0.456124 0.163987 O2-\n0.743672 0.043876 0.163987 O2-\n0.256328 0.956124 0.836013 O2-\n0.174690 0.750000 0.121121 O2-\n0.825310 0.250000 0.878879 O2-\n0.265874 0.250000 0.101283 O2-\n0.734126 0.750000 0.898717 O2-\n0.448861 0.750000 0.618186 O2-\n0.551139 0.250000 0.381814 O2-\n",
            "nsites": 24,
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            "elements": [
                "Ga3+",
                "P5+",
                "H+",
                "N2-",
                "O2-"
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            "chemical_system": "Ga-H-N-O-P",
            "density": 2.7335667347260406,
            "density_atomic": 0.0994016380035001,
            "volume": 241.4447134075891,
            "volume_molar": 6.058391874576503,
            "formula_full": "Ga2 P2 H8 N2 O10",
            "formula_reduced": "GaPH4NO5",
            "formula_anonymous": "ABCD4E5",
            "workflow_name": "relaxation.vasp.matproj",
            "workflow_version": "0.10.0",
            "computer_system": "simmate-698668dd9d-767ts",
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            "conduction_band_minimum": null,
            "valence_band_maximum": null,
            "volume_change": null,
            "spacegroup": 11,
            "structure_final": null
        }
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}