# systems

unique_id: f1cd0f513fda0751007c7da488f6562e
username: kokuha
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"E_relative_perAtom": 0.008587956249996864, "E_hull": 0.0, "total_en": -330.928616837, "KS_gap": 1.1300000000000001, "GLLB_dir": 1.59, "phase": "WZ", "Dxc": 0.46, "short_name": "InP", "m_h": 0.103, "GLLB_ind": 1.59, "E_uncertanty_perAtom": "-", "TB09_dir": 1.7, "m_e": -0.16, "TB09_ind": 1.7, "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, 0.8744841597058551, 1.3793678247140941, 2.3891351547305724, 2.8514375178712297, 3.7259216775770847, 4.230805342585324, 5.240572672601802, 6.1150568323076575, 6.577359195448315, 7.082242860456554, 7.544545223597211], ["$\\Gamma$", "M", "K", "$\\Gamma$", "A", "L", "H", "A", "L", "M", "K", "H"]], "title": "Band structure", "ylim": [-6, 5]}, "xbs_k": [0.0, 0.015341827363260615, 0.03068365472652123, 0.04602548208978185, 0.06136730945304246, 0.07670913681630308, 0.0920509641795637, 0.10739279154282431, 0.12273461890608492, 0.13807644626934554, 0.15341827363260616, 0.16876010099586677, 0.1841019283591274, 0.199443755722388, 0.21478558308564863, 0.23012741044890922, 0.24546923781216984, 0.26081106517543046, 0.2761528925386911, 0.2914947199019517, 0.3068365472652123, 0.32217837462847293, 0.33752020199173355, 0.35286202935499417, 0.3682038567182548, 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