# systems

unique_id: 31a76778350644421e55200ddf574de7
username: jensj
key_value_pairs:
  {"folder": "ML/group_6/I5MoSe3Ta/new/fm", "uid": "MoTaSe3I5-7c1a5ac61185", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "ABC3D5", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC3D5-1-a", "efermi": -3.5060369766635313, "gap": 0.7382217471411199, "vbm": -3.8751478502340913, "cbm": -3.1369261030929714, "gap_dir": 0.7382217471411199, "gap_dir_nosoc": 0.7977080630229336, "gap_nosoc": 0.7977080630229336, "minhessianeig": -2.0827974019630014e-15, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "7c1a5ac611850c4eb47eb84607693c6e", "vbm_hse": -4.312030802989495, "cbm_hse": -2.7969278061186014, "gap_dir_hse": 1.515102996870894, "gap_hse": 1.515102996870894, "ehull": 0.183478929351167, "hform": -0.31463931302059295, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: 4601b36f6ebec0ef8e2a19bc5dfa59b8
username: jensj
key_value_pairs:
  {"folder": "ML/group_6/I6PdSe4Zr2/new/fm", "uid": "PdZr2Se4I6-a4931c2223cf", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "AB2C4D6", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "AB2C4D6-1-a", "efermi": -4.515235394576365, "gap": 0.791324563256242, "vbm": -4.910897676204486, "cbm": -4.119573112948244, "gap_dir": 0.791324563256242, "gap_dir_nosoc": 0.9208681414613622, "gap_nosoc": 0.9121523009117665, "minhessianeig": -1.9954253771177494e-15, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "a4931c2223cf8eb5931a33a84ea89548", "ehull": 0.06461469212716087, "hform": -0.7036036401951379, "thermodynamic_stability_level": 3, "vbm_hse": -5.498841237655796, "cbm_hse": -4.063265171476725, "gap_dir_hse": 1.4383041060109196, "gap_hse": 1.4355760661790713, "ndim": "1D", "xc": "PBE"}


unique_id: 2f43beba86202a8806aa63e4fe177966
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"folder": "ML/group_6/I8SW3/new/fm", "uid": "SW3I8-0c1fd29050e6", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "AB3C8", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "AB3C8-1-a", "efermi": -3.3251318741695046, "gap": 0.2100902819896362, "vbm": -3.4301770151643227, "cbm": -3.2200867331746865, "gap_dir": 0.22059369028175713, "gap_dir_nosoc": 0.26440390101438993, "gap_nosoc": 0.22438770862198698, "minhessianeig": -2.7396920199082346e-16, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "0c1fd29050e65e51b59736d5821a27ab", "ehull": 0.03747074087199535, "hform": -0.07071642119289241, "thermodynamic_stability_level": 3, "vbm_hse": -3.7028178899282143, "cbm_hse": -3.1072159640236396, "gap_dir_hse": 0.7336625139930653, "gap_hse": 0.5956019259045746, "ndim": "1D", "xc": "PBE"}


unique_id: 83d2f18b1c38f7c1fe4d898578bec8fd
username: jensj
key_value_pairs:
  {"folder": "ML/group_7/As2Br3Cl2Hf2Se9SiSn/new/fm", "uid": "SiSnAs2Cl2Hf2Br3Se9-4a3566414229", "magstate": "FM", "is_magnetic": true, "nspins": 2, "spin_axis": "x", "E_x": -2104527.806140227, "E_y": -2104527.521542606, "E_z": -2104527.7405552054, "dE_zx": 0.06558502127518295, "dE_zy": -0.21901259970036335, "stoichiometry": "ABC2D2E2F3G9", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC2D2E2F3G9-1-a", "efermi": -3.827387671045737, "gap": 0.35509309756066054, "vbm": -4.004934219826067, "cbm": -3.6498411222654066, "gap_dir": 0.4364169091191732, "gap_dir_nosoc": 0.44886778428921925, "gap_nosoc": 0.3725351921137472, "minhessianeig": -1.945587491091478e-15, "dynamic_stability_phonons": "high", "vbm_hse": -4.518180219529519, "cbm_hse": -3.443637787170721, "gap_dir_hse": 1.1294631194272156, "gap_hse": 1.0745424323587982, "Source": "Machine learning generated", "asr_id": "4a35664142296317f0d52c1b24c63446", "ehull": 0.12383000590719118, "hform": -0.6634233758608019, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: d10ef7da8e63e1d76fc428645b4c7a23
username: jensj
key_value_pairs:
  {"folder": "ML/group_7/Bi2Br10Ti2/new/fm", "uid": "Bi2Ti2Br10-b2bd4c1c97e6", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "ABC5", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC5-1-a", "efermi": -3.685168774316116, "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.5184241589047591, "gap_nosoc": 0.5184241589047591, "minhessianeig": -0.0014202277496075334, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "b2bd4c1c97e6fdfd1bac546e2f2fc7fb", "ehull": 0.11962537445520638, "hform": -0.9187927883639172, "thermodynamic_stability_level": 3, "vbm_hse": -3.7530478806742082, "cbm_hse": -3.308960175058972, "gap_dir_hse": 0.4440877056152366, "gap_hse": 0.44408770561523614, "ndim": "1D", "xc": "PBE"}


unique_id: 30caa32bb2c29f7dde421edf923a7ea2
username: jensj
key_value_pairs:
  {"folder": "ML/group_7/Br10MoRuTi/new/fm", "uid": "MoRuTiBr10-003c27bb683b", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "ABCD10", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABCD10-1-a", "efermi": -4.645506440531985, "gap": 0.09916797140650502, "vbm": -4.695090426235238, "cbm": -4.595922454828733, "gap_dir": 0.09982514064833126, "gap_dir_nosoc": 0.1799444569952371, "gap_nosoc": 0.1799444569952371, "minhessianeig": -0.004752037445719383, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "003c27bb683bf2750efff79ca207f6cc", "ehull": 0.18376824530720237, "hform": -0.5821440610726879, "thermodynamic_stability_level": 3, "vbm_hse": -5.28509067454891, "cbm_hse": -4.451754478748155, "gap_dir_hse": 0.8333361958007579, "gap_hse": 0.8333361958007552, "ndim": "1D", "xc": "PBE"}


unique_id: 53386f94746fb24575d4b2fc3d1a83b9
username: jensj
key_value_pairs:
  {"folder": "ML/group_7/Br11Pt2Si/new/fm", "uid": "SiPt2Br11-3004db54655f", "magstate": "FM", "is_magnetic": true, "nspins": 2, "spin_axis": "y", "E_x": -1771891.353247059, "E_y": -1771893.4693516798, "E_z": -1771890.5849920358, "dE_zx": 0.7682550233312213, "dE_zy": 2.8843596442129638, "stoichiometry": "AB11C2", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "AB2C11-1-a", "efermi": -5.074473797996991, "gap": 0.16265855440156152, "vbm": -5.155803075197772, "cbm": -4.993144520796211, "gap_dir": 0.19186801423756705, "gap_dir_nosoc": 0.2320985338130379, "gap_nosoc": 0.18384770113740068, "minhessianeig": -0.0056829106429922395, "dynamic_stability_phonons": "high", "vbm_hse": -5.939276202710793, "cbm_hse": -5.278754451543987, "gap_dir_hse": 0.6999951889557599, "gap_hse": 0.6605217511668053, "Source": "Machine learning generated", "asr_id": "3004db54655fdb1725cbdbde45ccdd80", "ehull": 0.10561418442441217, "hform": -0.34144434581322664, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: 7660b27ace763db6720c333007287193
username: jensj
key_value_pairs:
  {"folder": "ML/group_7/Br2Cl4PPdPtRhSe6/new/fm", "uid": "PPdPtRhBr2Cl4Se6-13fe5fa9fdf4", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "ABCDE2F4G6", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABCDE2F4G6-1-a", "efermi": -4.6377396082038445, "gap": 0.8550875000936031, "vbm": -5.065283358250646, "cbm": -4.210195858157043, "gap_dir": 0.8556163325463748, "gap_dir_nosoc": 0.9408812034214238, "gap_nosoc": 0.9408812034214238, "minhessianeig": -0.006603086371577985, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "13fe5fa9fdf460395e4e42838738ede0", "vbm_hse": -5.7387643144718, "cbm_hse": -4.107483378858622, "gap_dir_hse": 1.6312809356131783, "gap_hse": 1.6312809356131783, "ehull": 0.07711930702328496, "hform": -0.3750209337632495, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: 772a59ec050a24e52100a15e3f66aa7b
username: jensj
key_value_pairs:
  {"folder": "ML/group_7/Br4GeSe3Ti2/new/fm", "uid": "GeTi2Se3Br4-903a293d9fcf", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "AB2C3D4", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "AB2C3D4-1-a", "efermi": -4.810142226261346, "gap": 1.091706988811353, "vbm": -5.355995720667022, "cbm": -4.264288731855669, "gap_dir": 1.0961016616972223, "gap_dir_nosoc": 1.1195175094383005, "gap_nosoc": 1.1195175094383005, "minhessianeig": -0.004992525129422539, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "903a293d9fcf4cc5c8f640c5266b6191", "vbm_hse": -5.781249583009975, "cbm_hse": -3.2942659664487715, "gap_dir_hse": 2.4938751686849305, "gap_hse": 2.486983616561204, "ehull": 0.0793678829997666, "hform": -0.9252159699881808, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: e1913d3a812c750d90430536d0739b1d
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"folder": "ML/group_7/Br6Cl2PtTi/new/fm", "uid": "PtTiCl2Br6-1450f3a748c5", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "ABC2D6", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC2D6-1-a", "efermi": -5.269962037569324, "gap": 1.1957227748692993, "vbm": -5.867823425003974, "cbm": -4.6721006501346745, "gap_dir": 1.220797388519764, "gap_dir_nosoc": 1.4097358226864447, "gap_nosoc": 1.3722135981099175, "minhessianeig": -2.0586502906267358e-15, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "1450f3a748c5db5597b7ef502c7d0a67", "vbm_hse": -6.891084327665935, "cbm_hse": -3.8900142670268805, "gap_dir_hse": 3.0353261832105014, "gap_hse": 3.001070060639054, "ehull": 0.0310648879662615, "hform": -0.7853771285492623, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: 4f2f6241039377d52bf928bc6399122e
username: jensj
key_value_pairs:
  {"folder": "ML/group_7/Br8GeISSe2Ti3/new/fm", "uid": "GeISSe2Ti3Br8-1db740aa5f80", "magstate": "FM", "is_magnetic": true, "nspins": 2, "spin_axis": "y", "E_x": -2040217.4838111498, "E_y": -2040217.4890012436, "E_z": -2040217.473942806, "dE_zx": 0.009868343795460532, "dE_zy": 0.015058437611514819, "stoichiometry": "ABCD2E3F8", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABCD2E3F8-1-a", "efermi": -4.106207974940885, "gap": 0.4850596528062039, "vbm": -4.348737801343987, "cbm": -3.8636781485377827, "gap_dir": 0.4850596528062039, "gap_dir_nosoc": 0.48723642760425623, "gap_nosoc": 0.48723642760425623, "minhessianeig": -0.006950197743275541, "dynamic_stability_phonons": "high", "vbm_hse": -4.526014358451958, "cbm_hse": -2.833068309955862, "gap_dir_hse": 1.692946048496096, "gap_hse": 1.692946048496096, "Source": "Machine learning generated", "asr_id": "1db740aa5f80cc560bd828a959011cb1", "ehull": 0.08751920503729171, "hform": -0.9769930229911896, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: 33662b9fa49dd93d693fe4f52c5ec18a
username: jensj
key_value_pairs:
  {"folder": "ML/group_7/Cl14OTiW4/new/fm", "uid": "OTiW4Cl14-c1e89af707b6", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "ABC14D4", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC4D14-1-a", "efermi": -4.012369078750252, "gap": 0.569303802487604, "vbm": -4.297020979994054, "cbm": -3.7277171775064497, "gap_dir": 0.6249578899535133, "gap_dir_nosoc": 0.7089576583053363, "gap_nosoc": 0.6252192409621338, "minhessianeig": -0.00020156790748530323, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "c1e89af707b6a26f0d30099ee8a91eba", "ehull": 0.12521310140114594, "hform": -0.9824221521359278, "thermodynamic_stability_level": 3, "vbm_hse": -4.617756672989358, "cbm_hse": -3.2108606513541442, "gap_dir_hse": 1.5114978951634477, "gap_hse": 1.4068960216352142, "ndim": "1D", "xc": "PBE"}


unique_id: 970bafa324b178d939738efb7a0e2419
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"folder": "ML/group_7/Cl7CuPt/new/fm", "uid": "CuPtCl7-a75bf7b207f5", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "ABC7", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC7-1-a", "efermi": -6.505504918949713, "gap": 0.17951247993931485, "vbm": -6.59526115891937, "cbm": -6.415748678980055, "gap_dir": 0.17951247993931663, "gap_dir_nosoc": 0.31576508471595766, "gap_nosoc": 0.31425919047503825, "minhessianeig": -2.171124653357544e-15, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "a75bf7b207f5069bb9436feaeba2b24a", "vbm_hse": -7.608613615291784, "cbm_hse": -6.654065686686914, "gap_dir_hse": 0.9726720774006514, "gap_hse": 0.9545479286048701, "ehull": -0.015565299199868154, "hform": -0.37531355598654886, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: c8a8bc0a569a773abf86f7cf1dea0df2
username: jensj
key_value_pairs:
  {"folder": "ML/group_7/ClI3SSe2SiTi/new/fm", "uid": "ClSSiTiSe2I3-393096cce089", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "ABCDE2F3", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABCDE2F3-1-a", "efermi": -4.568481302366823, "gap": 1.282357178702496, "vbm": -5.209659891718071, "cbm": -3.927302713015575, "gap_dir": 1.315056503792292, "gap_dir_nosoc": 1.4600822006351053, "gap_nosoc": 1.4506131610473623, "minhessianeig": -1.5402733573126138e-15, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "393096cce0893302f5e4c711e943ac87", "vbm_hse": -5.782009367027391, "cbm_hse": -3.0292986486719102, "gap_dir_hse": 2.7646391934951837, "gap_hse": 2.752710718355481, "ehull": 0.08166999920247386, "hform": -0.6548401048354621, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: 948d1e0c305457b5b25f8db943fb045c
username: jensj
key_value_pairs:
  {"folder": "ML/group_7/GeI6Ru/new/fm", "uid": "GeRuI6-0f4d2755cc14", "magstate": "NM", "is_magnetic": false, "nspins": 1, "spin_axis": "z", "E_x": 0, "E_y": 0, "E_z": 0, "dE_zx": 0, "dE_zy": 0, "stoichiometry": "ABC6", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABC6-1-a", "efermi": -4.707712403590207, "gap": 0.06751388665650726, "vbm": -4.741469346918461, "cbm": -4.673955460261953, "gap_dir": 0.16817063244643116, "gap_dir_nosoc": 0.0, "gap_nosoc": 0.0, "minhessianeig": -1.211956502805697e-15, "dynamic_stability_phonons": "high", "Source": "Machine learning generated", "asr_id": "0f4d2755cc14223e22b10aedd9c4fd0d", "vbm_hse": -5.483552241682177, "cbm_hse": -4.863935769929408, "gap_dir_hse": 0.6627520538646365, "gap_hse": 0.619616471752769, "ehull": 0.06849764616398568, "hform": -0.11767637046335544, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: d2427c7b543199c88ced8d2aadc2f5ca
username: jensj
key_value_pairs:
  {"folder": "ML/group_7/HfI7SeTi/new/fm", "uid": "HfSeTiI7-69a18af494c0", "magstate": "FM", "is_magnetic": true, "nspins": 2, "spin_axis": "y", "E_x": -1289371.3643771617, "E_y": -1289372.0654463319, "E_z": -1289371.921156794, "dE_zx": -0.5567796324612573, "dE_zy": 0.1442895377294917, "stoichiometry": "ABCD7", "spacegroup": "P1", "spgnum": 1, "pointgroup": 1, "crystal_type": "ABCD7-1-a", "efermi": -4.530690417104058, "gap": 0.3811764995689719, "vbm": -4.721278666888543, "cbm": -4.340102167319571, "gap_dir": 0.4135293924010712, "gap_dir_nosoc": 0.4488047173972154, "gap_nosoc": 0.4117932051460276, "minhessianeig": -9.443448877874007e-16, "dynamic_stability_phonons": "high", "vbm_hse": -5.22821115734536, "cbm_hse": -4.079665292950557, "gap_dir_hse": 1.1790816149781786, "gap_hse": 1.1485458643948032, "Source": "Machine learning generated", "asr_id": "69a18af494c06493cd1beb2cbe1ce4c4", "ehull": 0.10700765784835975, "hform": -0.7191320955430065, "thermodynamic_stability_level": 3, "ndim": "1D", "xc": "PBE"}


unique_id: a95b769dc7536dc251c02646478589d4
username: jensj
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unique_id: 6c537bfdb00d964acdf74e719ece0805
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calculator: dftd3
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unique_id: 287386a58132f082ce742fa8949746e6
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calculator: gpaw
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unique_id: 4e3f9a2847804d23cf8ccb0403aea009
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calculator: gpaw
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calculator: gpaw
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unique_id: e24b4d4d539bfe2bafcde2682cf061d3
username: jensj
key_value_pairs:
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unique_id: cf4ce1e1dc6682697270da3dcae23c4b
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
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unique_id: 94af40a2ce1dba08770b35e47dd9f644
username: jensj
key_value_pairs:
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unique_id: dcff56e469ea131d966896cf60c58801
username: jensj
key_value_pairs:
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unique_id: a6ceea0ac9ced3cbb83a96a3534460f6
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
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