# systems

unique_id: a9b00f59cc998add97a7ecfb1060d124
username: kokuha
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"E_relative_perAtom": 0.0, "E_hull": 0.0, "total_en": -191.01117823, "KS_gap": 1.58, "GLLB_dir": 2.17, "phase": "WZ", "Dxc": 0.59, "short_name": "GaP", "m_h": 0.15, "GLLB_ind": 2.17, "E_uncertanty_perAtom": "-", "TB09_dir": 2.2, "m_e": -0.125, "TB09_ind": 2.2, "E_uncertanty_hull": "-", "lattice": "Hexagonal"}

data:
  {"bs": {"data": [{"x": "xbs_k", "label": "GLLB-SC", "y": "ebs_kn", "style": "-k"}], "ylabel": "Energy relative to VBM [eV]", "xlabel": [[0.0, 0.9382600689273509, 1.4799647722924338, 2.5633741790225995, 3.056670359452011, 3.994930428379362, 4.536635131744445, 5.620044538474611, 6.558304607401961, 7.051600787831372, 7.593305491196455, 8.086601671625866], ["$\\Gamma$", "M", "K", "$\\Gamma$", "A", "L", "H", "A", "L", "M", "K", "H"]], "title": "Band structure", "ylim": [-6, 5]}, "xbs_k": [0.0, 0.016460702963637736, 0.03292140592727547, 0.049382108890913205, 0.06584281185455094, 0.08230351481818868, 0.09876421778182641, 0.11522492074546414, 0.1316856237091019, 0.1481463266727396, 0.16460702963637736, 0.18106773260001507, 0.19752843556365282, 0.21398913852729054, 0.2304498414909283, 0.246910544454566, 0.2633712474182038, 0.2798319503818415, 0.2962926533454792, 0.31275335630911694, 0.3292140592727547, 0.34567476223639243, 0.36213546520003015, 0.37859616816366787, 0.39505687112730564, 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