# systems

unique_id: b5a688617bac91fbf0c2162209f7f32c
username: x_magra
calculator: vasp
calculator_parameters:
  {"kpoints_generation": {"divisions": [2, 2, 1], "usershift": [0.0, 0.0, 0.0], "genvec1": [0.5, 0.0, 0.0], "genvec2": [0.0, 0.5, 0.0], "genvec3": [0.0, 0.0, 1.0], "shift": [0.0, 0.0, 0.0]}, "system": "unknown system", "lcompat": false, "prec": "acc", "enmax": 520.0, "enaug": 644.873, "ediff": 1e-05, "ialgo": 38, "iwavpr": 10, "nbands": 840, "nelect": 1280.0, "turbo": 0, "irestart": 0, "nreboot": 0, "nmin": 0, "eref": 0.0, "ismear": 0, "sigma": 0.1, "kspacing": 0.25, "kgamma": true, "lreal": false, "ropt": [0.0, 0.0, 0.0, 0.0, 0.0], "lmaxpaw": -100, "lmaxmix": 4, "nlspline": false, "istart": 0, "icharg": 2, "iniwav": 1, "ispin": 1, "lnoncollinear": false, "magmom": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 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"mixfirst": false, "maxmix": -45, "wc": 100.0, "inimix": 1, "mixpre": 1, "mremove": 5, "ldipol": false, "lmono": false, "idipol": 0, "epsilon": 1.0, "dipol": [-100.0, -100.0, -100.0], "efield": 0.0, "ngx": 140, "ngy": 140, "ngz": 192, "ngxf": 280, "ngyf": 280, "ngzf": 384, "addgrid": true, "nsw": 0, "ibrion": -1, "mdalgo": 0, "isif": 2, "pstress": 0.0, "ediffg": 0.0001, "nfree": 0, "potim": 0.5, "smass": -3.0, "scalee": 1.0, "tebeg": 0.0001, "teend": 0.0001, "nblock": 1, "kblock": 1, "npaco": 256, "apaco": 16.0, "isym": 2, "symprec": 1e-05, "lorbit": 0, "rwigs": [-1.0, -1.0, -1.0, -1.0, -1.0], "nedos": 301, "emin": 10.0, "emax": -10.0, "efermi": 0.0, "nwrite": 2, "lwave": false, "ldownsample": false, "lcharg": false, "lpard": false, "lvtot": false, "lvhar": false, "lelf": false, "loptics": false, "stm": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "npar": 8, "nsim": 4, "nblk": -1, "lplane": true, "lscalapack": true, "lscaaware": false, "lscalu": false, "lasync": false, "lorbitalreal": false, "idiot": 3, "ispecial": 0, "lmusic": false, "pomass": [12.011, 1.0, 126.904, 14.001, 207.2], "darwinr": [0.0, 0.0, 0.0, 0.0, 0.0], "darwinv": [1.0, 1.0, 1.0, 1.0, 1.0], "lcorr": true, "gga_compat": true, "lberry": false, "icorelevel": 0, "ldau": false, "i_constrained_m": 0, "gga": "--", "voskown": 0, "lhfcalc": false, "precfock": "", "lsymgrad": false, "lhfone": false, "lrhfcalc": false, "lthomas": false, "lmodelhf": false, "encut4o": -1.0, "exxoep": 0, "fourorbit": 0, "aexx": 0.0, "hfalpha": 0.0, "mcalpha": 0.0, "aldax": 1.0, "aggax": 1.0, "aldac": 1.0, "aggac": 1.0, "nkredx": 1, "nkredy": 1, "nkredz": 1, "shiftred": false, "oddonly": false, "evenonly": false, "lmaxfock": 0, "nmaxfockae": 0, "lfockaedft": false, "hfscreen": 0.0, "hfscreenc": 0.0, "nbandsgwlow": 0, "luse_vdw": false, "zab_vdw": -0.8491, "param1": 0.1234, "param2": 1.0, "param3": 0.0, "model_gw": 0, "model_eps0": 12.36453946, "model_alpha": 1.0, "lepsilon": false, "lrpa": false, "lnabla": false, "lvel": false, "kinter": 0, "cshift": -0.1, "omegamax": -30.0, "deg_threshold": 0.002, "rtime": -0.1, "wplasmai": 0.0, "dfield": [0.0, 0.0, 0.0], "wplasma": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "nucind": false, "magpos": [0.0, 0.0, 0.0], "lnicsall": true, "orbitalmag": false, "lmagbloch": false, "lchimag": false, "lgauge": true, "magatom": 0, "magdipol": [0.0, 0.0, 0.0], "avecconst": [0.0, 0.0, 0.0], "ladder": false, "lrpaforce": false, "lfxc": false, "lhartree": true, "ibse": 0, "kpoint": [-1, 0, 0, 0], "ltcte": false, "ltete": false, "ltriplet": false, "lfxceps": false, "lfxheg": false, "naturalo": 2, "l2order": false, "lmp2lt": false, "lusew": false, "encutgw": -2.0, "encutgwsoft": -2.0, "encutlf": -1.0, "lmaxmp2": -1, "scissor": 0.0, "nomega": 0, "nomegar": 0, "nbandsgw": -1, "nbandso": -1, "nbandsv": -1, "nelmhf": 1, "dim": 3, "antires": 0, "omegamin": -30.0, "omegatl": -200.0, "omegagrid": 140, "selfenergy": false, "lspectral": false, "lspectralgw": false, "lsingles": false, "lfermigw": false, "oddonlygw": false, "evenonlygw": false, "nkredlfx": 1, "nkredlfy": 1, "nkredlfz": 1, "maxmem": 2800, "telescope": 0, "taupar": 1, "omegapar": -1, "lambda": 1.0, "ofield_kappa": 0.0, "ofield_k": [0.0, 0.0, 0.0], "ofield_q6_near": 0.0, "ofield_q6_far": 0.0, "ofield_a": 0.0}

key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle5.0_zangle15.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 5a06c301035921e6bcff12e4446e955e
username: x_magra
calculator: vasp
calculator_parameters:
  {"kpoints_generation": {"divisions": [2, 2, 1], "usershift": [0.0, 0.0, 0.0], "genvec1": [0.5, 0.0, 0.0], "genvec2": [0.0, 0.5, 0.0], "genvec3": [0.0, 0.0, 1.0], "shift": [0.0, 0.0, 0.0]}, "system": "unknown system", "lcompat": false, "prec": "acc", "enmax": 520.0, "enaug": 644.873, "ediff": 1e-05, "ialgo": 38, "iwavpr": 10, "nbands": 840, "nelect": 1280.0, "turbo": 0, "irestart": 0, "nreboot": 0, "nmin": 0, "eref": 0.0, "ismear": 0, "sigma": 0.1, "kspacing": 0.25, "kgamma": true, "lreal": false, "ropt": [0.0, 0.0, 0.0, 0.0, 0.0], "lmaxpaw": -100, "lmaxmix": 4, "nlspline": false, "istart": 0, "icharg": 2, "iniwav": 1, "ispin": 1, "lnoncollinear": false, "magmom": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 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"mixfirst": false, "maxmix": -45, "wc": 100.0, "inimix": 1, "mixpre": 1, "mremove": 5, "ldipol": false, "lmono": false, "idipol": 0, "epsilon": 1.0, "dipol": [-100.0, -100.0, -100.0], "efield": 0.0, "ngx": 140, "ngy": 140, "ngz": 192, "ngxf": 280, "ngyf": 280, "ngzf": 384, "addgrid": true, "nsw": 0, "ibrion": -1, "mdalgo": 0, "isif": 2, "pstress": 0.0, "ediffg": 0.0001, "nfree": 0, "potim": 0.5, "smass": -3.0, "scalee": 1.0, "tebeg": 0.0001, "teend": 0.0001, "nblock": 1, "kblock": 1, "npaco": 256, "apaco": 16.0, "isym": 2, "symprec": 1e-05, "lorbit": 0, "rwigs": [-1.0, -1.0, -1.0, -1.0, -1.0], "nedos": 301, "emin": 10.0, "emax": -10.0, "efermi": 0.0, "nwrite": 2, "lwave": false, "ldownsample": false, "lcharg": false, "lpard": false, "lvtot": false, "lvhar": false, "lelf": false, "loptics": false, "stm": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "npar": 8, "nsim": 4, "nblk": -1, "lplane": true, "lscalapack": true, "lscaaware": false, "lscalu": false, "lasync": false, "lorbitalreal": false, "idiot": 3, "ispecial": 0, "lmusic": false, "pomass": [12.011, 1.0, 126.904, 14.001, 207.2], "darwinr": [0.0, 0.0, 0.0, 0.0, 0.0], "darwinv": [1.0, 1.0, 1.0, 1.0, 1.0], "lcorr": true, "gga_compat": true, "lberry": false, "icorelevel": 0, "ldau": false, "i_constrained_m": 0, "gga": "--", "voskown": 0, "lhfcalc": false, "precfock": "", "lsymgrad": false, "lhfone": false, "lrhfcalc": false, "lthomas": false, "lmodelhf": false, "encut4o": -1.0, "exxoep": 0, "fourorbit": 0, "aexx": 0.0, "hfalpha": 0.0, "mcalpha": 0.0, "aldax": 1.0, "aggax": 1.0, "aldac": 1.0, "aggac": 1.0, "nkredx": 1, "nkredy": 1, "nkredz": 1, "shiftred": false, "oddonly": false, "evenonly": false, "lmaxfock": 0, "nmaxfockae": 0, "lfockaedft": false, "hfscreen": 0.0, "hfscreenc": 0.0, "nbandsgwlow": 0, "luse_vdw": false, "zab_vdw": -0.8491, "param1": 0.1234, "param2": 1.0, "param3": 0.0, "model_gw": 0, "model_eps0": 12.69063888, "model_alpha": 1.0, "lepsilon": false, "lrpa": false, "lnabla": false, "lvel": false, "kinter": 0, "cshift": -0.1, "omegamax": -30.0, "deg_threshold": 0.002, "rtime": -0.1, "wplasmai": 0.0, "dfield": [0.0, 0.0, 0.0], "wplasma": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "nucind": false, "magpos": [0.0, 0.0, 0.0], "lnicsall": true, "orbitalmag": false, "lmagbloch": false, "lchimag": false, "lgauge": true, "magatom": 0, "magdipol": [0.0, 0.0, 0.0], "avecconst": [0.0, 0.0, 0.0], "ladder": false, "lrpaforce": false, "lfxc": false, "lhartree": true, "ibse": 0, "kpoint": [-1, 0, 0, 0], "ltcte": false, "ltete": false, "ltriplet": false, "lfxceps": false, "lfxheg": false, "naturalo": 2, "l2order": false, "lmp2lt": false, "lusew": false, "encutgw": -2.0, "encutgwsoft": -2.0, "encutlf": -1.0, "lmaxmp2": -1, "scissor": 0.0, "nomega": 0, "nomegar": 0, "nbandsgw": -1, "nbandso": -1, "nbandsv": -1, "nelmhf": 1, "dim": 3, "antires": 0, "omegamin": -30.0, "omegatl": -200.0, "omegagrid": 140, "selfenergy": false, "lspectral": false, "lspectralgw": false, "lsingles": false, "lfermigw": false, "oddonlygw": false, "evenonlygw": false, "nkredlfx": 1, "nkredlfy": 1, "nkredlfz": 1, "maxmem": 2800, "telescope": 0, "taupar": 1, "omegapar": -1, "lambda": 1.0, "ofield_kappa": 0.0, "ofield_k": [0.0, 0.0, 0.0], "ofield_q6_near": 0.0, "ofield_q6_far": 0.0, "ofield_a": 0.0}

key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle5.0_zangle3.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 919720a471cb784c722cdb46ae21e4f4
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle5.0_zangle5.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: a161b7c6edfac4ae97cb18a3205ee774
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle5.0_zangle7.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: b932fd50c4e0c35c515c68cec0d17b02
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle5.0_zangle9.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: f14048e6c7e5e0bf582c5a9be6e9b1c3
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle-1.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: efee52ed0421c890e8ff88084ef55f67
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle-11.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 9a22739dc8d90d7cb1752e7a519749cb
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle-13.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: ddda22329a1bc95097ead49bdda36506
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle-15.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 404c80cd52f8017e0d39e065598a0ca9
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle-3.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: a98ee9bb84aa0832d2678b7cba67ec7b
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle-5.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 7a61e7ca3dffe4852e82574d5252ddc9
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle-7.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 4d49dcdc41e9f24ec499f00414156ce7
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle-9.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 904fdaec72932b734178783679b47b12
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle1.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: a490b958e0ab4dd4fe5e36147abab925
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle11.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: fdf3330952fa7c1b3f79ffe01c0c7fa3
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle13.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 6cabecedc8a4447cd5659fa3fb93ac36
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle15.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 501f1f4e8c986579eb7cc9fd8a7f9469
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle3.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: b7f2fa93010697f908f4443e751f7f86
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle5.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 47b23d92fdd5a28d96e812884190472f
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle7.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 765c87c4d5836e09cc4ae78ce350e856
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle6.0_zangle9.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: ed8e14352c1edeccf4665882549fd825
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle-1.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: ee97ee86c21b030076ce995578e4dacc
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle-11.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: d119cb2d8e7b2e01045284b1bdf91d27
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle-13.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 14ce3e6b9f8bdd9a86b06f6b7ab3c927
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle-15.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 1549919b67e1000927ada64373ab44ac
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle-3.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 32e63ed6d666e99003891fc62db2b7c7
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle-5.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 74bb557c4737967ebe4ea2ccf372965f
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle-7.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 875942e66c7adde7da20d7af0fb6542e
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle-9.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: e83963b1b7a52e3586a995ba05e7cbb4
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle1.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: d037730280781aac30dff634d3305b59
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle11.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: b04e3c53ff4325089b6e272410d2f60d
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle13.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 591258562214532c9fdb10b1a924795d
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle15.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 5231109b5c5fcb211988ff7cc2297ada
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle3.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 593caa022f067830b332349231ea3af4
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle5.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: cf182d268fc4f17723f074ec533bd23d
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle7.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: b2446eeb0d02106e937edd4200f7c246
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle7.0_zangle9.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 835edab639f4b1045bff1f0d0d62e84b
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle8.0_zangle-1.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 1f8feda5a91e337a8f506545bcca0d5f
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle8.0_zangle-11.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 7078714e03cf95f52bc5baaf5649cb94
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle8.0_zangle-13.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 301450803c7ba1eceff0d09ee92f2cfb
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle8.0_zangle-15.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: e9aca940c454ebbfadc7b1ab64c3e107
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle8.0_zangle-3.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 9d7db62f9b2a597ac7229d4ffac90828
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle8.0_zangle-7.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 44b264c5669a430c7949b0ba8ca6d3e6
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle8.0_zangle-9.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: c84f26d9a20225a3ff29d0cda9e2bde0
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle8.0_zangle1.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 87836369b3bfbed98e2eb1f48ab41c54
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle8.0_zangle11.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: d9541bfe8a1875afd724578335799133
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle8.0_zangle13.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 51c0c6ec9a27408bbee442bf0e4bc696
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle8.0_zangle15.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 84695c3d6a9cc6ce6acc6b546a69e814
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle8.0_zangle3.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: b7b723755371f826d3eecc93fbea81bc
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle8.0_zangle7.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: ade74083e0819f1912b4bbee1b749c23
username: x_magra
calculator: vasp
calculator_parameters:
  {"kpoints_generation": {"divisions": [2, 2, 1], "usershift": [0.0, 0.0, 0.0], "genvec1": [0.5, 0.0, 0.0], "genvec2": [0.0, 0.5, 0.0], "genvec3": [0.0, 0.0, 1.0], "shift": [0.0, 0.0, 0.0]}, "system": "unknown system", "lcompat": false, "prec": "acc", "enmax": 520.0, "enaug": 644.873, "ediff": 1e-05, "ialgo": 38, "iwavpr": 10, "nbands": 840, "nelect": 1280.0, "turbo": 0, "irestart": 0, "nreboot": 0, "nmin": 0, "eref": 0.0, "ismear": 0, "sigma": 0.1, "kspacing": 0.25, "kgamma": true, "lreal": false, "ropt": [0.0, 0.0, 0.0, 0.0, 0.0], "lmaxpaw": -100, "lmaxmix": 4, "nlspline": false, "istart": 0, "icharg": 2, "iniwav": 1, "ispin": 1, "lnoncollinear": false, "magmom": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 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0, "cshift": -0.1, "omegamax": -30.0, "deg_threshold": 0.002, "rtime": -0.1, "wplasmai": 0.0, "dfield": [0.0, 0.0, 0.0], "wplasma": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "nucind": false, "magpos": [0.0, 0.0, 0.0], "lnicsall": true, "orbitalmag": false, "lmagbloch": false, "lchimag": false, "lgauge": true, "magatom": 0, "magdipol": [0.0, 0.0, 0.0], "avecconst": [0.0, 0.0, 0.0], "ladder": false, "lrpaforce": false, "lfxc": false, "lhartree": true, "ibse": 0, "kpoint": [-1, 0, 0, 0], "ltcte": false, "ltete": false, "ltriplet": false, "lfxceps": false, "lfxheg": false, "naturalo": 2, "l2order": false, "lmp2lt": false, "lusew": false, "encutgw": -2.0, "encutgwsoft": -2.0, "encutlf": -1.0, "lmaxmp2": -1, "scissor": 0.0, "nomega": 0, "nomegar": 0, "nbandsgw": -1, "nbandso": -1, "nbandsv": -1, "nelmhf": 1, "dim": 3, "antires": 0, "omegamin": -30.0, "omegatl": -200.0, "omegagrid": 140, "selfenergy": false, "lspectral": false, "lspectralgw": false, "lsingles": false, "lfermigw": false, "oddonlygw": false, "evenonlygw": false, "nkredlfx": 1, "nkredlfy": 1, "nkredlfz": 1, "maxmem": 2800, "telescope": 0, "taupar": 1, "omegapar": -1, "lambda": 1.0, "ofield_kappa": 0.0, "ofield_k": [0.0, 0.0, 0.0], "ofield_q6_near": 0.0, "ofield_q6_far": 0.0, "ofield_a": 0.0}

key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle8.0_zangle9.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 43f9a003f07e553eb0388e969fa0bf18
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic.xml.gz"}
calculator_parameters:
  {"kpoints_generation": {"divisions": [5, 5, 5], "usershift": [0.0, 0.0, 0.0], "genvec1": [0.2, -0.0, -0.0], "genvec2": [-0.0, 0.2, -0.0], "genvec3": [-0.0, 0.0, 0.2], "shift": [0.0, 0.0, 0.0]}, "system": "unknown system", "lcompat": false, "prec": "acc", "enmax": 520.0, "enaug": 644.873, "ediff": 1e-05, "ialgo": 38, "iwavpr": 11, "nbands": 28, "nelect": 40.0, "turbo": 0, "irestart": 0, "nreboot": 0, "nmin": 0, "eref": 0.0, "ismear": 0, "sigma": 0.1, "kspacing": 0.25, "kgamma": false, "lreal": false, "ropt": [0.0, 0.0, 0.0, 0.0, 0.0], "lmaxpaw": -100, "lmaxmix": 4, "nlspline": false, "istart": 0, "icharg": 2, "iniwav": 1, "ispin": 1, "lnoncollinear": false, "magmom": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0], "nupdown": -1.0, "lsorbit": false, "saxis": [0.0, 0.0, 1.0], "lspiral": false, "qspiral": [0.0, 0.0, 0.0], "lzeroz": false, "lasph": true, "lmetagga": false, "nelm": 120, "nelmdl": -5, "nelmin": 4, "enini": 520.0, "ldiag": true, "lsubrot": false, "weimin": 0.001, "ebreak": 9e-08, "deper": 0.3, "nrmm": 4, "time": 0.4, "amix": 0.4, "bmix": 1.0, "amin": 0.1, "amix_mag": 1.6, "bmix_mag": 1.0, "imix": 4, "mixfirst": false, "maxmix": -45, "wc": 100.0, "inimix": 1, "mixpre": 1, "mremove": 5, "ldipol": false, "lmono": false, "idipol": 0, "epsilon": 1.0, "dipol": [-100.0, -100.0, -100.0], "efield": 0.0, "ngx": 48, "ngy": 48, "ngz": 48, "ngxf": 96, "ngyf": 96, "ngzf": 96, "addgrid": true, "nsw": 20, "ibrion": 2, "mdalgo": 0, "isif": 3, "pstress": 0.0, "ediffg": -0.03, "nfree": 1, "potim": 0.5, "smass": -3.0, "scalee": 1.0, "tebeg": 0.0001, "teend": 0.0001, "nblock": 1, "kblock": 20, "npaco": 256, "apaco": 16.0, "isym": 2, "symprec": 1e-05, "lorbit": 0, "rwigs": [-1.0, -1.0, -1.0, -1.0, -1.0], "nedos": 301, "emin": 10.0, "emax": -10.0, "efermi": 0.0, "nwrite": 2, "lwave": false, "ldownsample": false, "lcharg": false, "lpard": false, "lvtot": false, "lvhar": false, "lelf": false, "loptics": false, "stm": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "npar": 4, "nsim": 4, "nblk": -1, "lplane": true, "lscalapack": true, "lscaaware": false, "lscalu": false, "lasync": false, "lorbitalreal": false, "idiot": 3, "ispecial": 0, "lmusic": false, "pomass": [12.011, 14.001, 1.0, 207.2, 126.904], "darwinr": [0.0, 0.0, 0.0, 0.0, 0.0], "darwinv": [1.0, 1.0, 1.0, 1.0, 1.0], "lcorr": true, "gga_compat": true, "lberry": false, "icorelevel": 0, "ldau": false, "i_constrained_m": 0, "gga": "--", "voskown": 0, "lhfcalc": false, "precfock": "", "lsymgrad": false, "lhfone": false, "lrhfcalc": false, "lthomas": false, "lmodelhf": false, "encut4o": -1.0, "exxoep": 0, "fourorbit": 0, "aexx": 0.0, "hfalpha": 0.0, "mcalpha": 0.0, "aldax": 1.0, "aggax": 1.0, "aldac": 1.0, "aggac": 1.0, "nkredx": 1, "nkredy": 1, "nkredz": 1, "shiftred": false, "oddonly": false, "evenonly": false, "lmaxfock": 0, "nmaxfockae": 0, "lfockaedft": false, "hfscreen": 0.0, "hfscreenc": 0.0, "nbandsgwlow": 0, "luse_vdw": true, "zab_vdw": -0.8491, "param1": 0.1234, "param2": 1.0, "param3": 0.0, "model_gw": 0, "model_eps0": 11.30553, "model_alpha": 1.0, "lepsilon": false, "lrpa": false, "lnabla": false, "lvel": false, "kinter": 0, "cshift": -0.1, "omegamax": -30.0, "deg_threshold": 0.002, "rtime": -0.1, "wplasmai": 0.0, "dfield": [0.0, 0.0, 0.0], "wplasma": [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], "nucind": false, "magpos": [0.0, 0.0, 0.0], "lnicsall": true, "orbitalmag": false, "lmagbloch": false, "lchimag": false, "lgauge": true, "magatom": 0, "magdipol": [0.0, 0.0, 0.0], "avecconst": [0.0, 0.0, 0.0], "ladder": false, "lrpaforce": false, "lfxc": false, "lhartree": true, "ibse": 0, "kpoint": [-1, 0, 0, 0], "ltcte": false, "ltete": false, "ltriplet": false, "lfxceps": false, "lfxheg": false, "naturalo": 2, "l2order": false, "lmp2lt": false, "lusew": false, "encutgw": -2.0, "encutgwsoft": -2.0, "encutlf": -1.0, "lmaxmp2": -1, "scissor": 0.0, "nomega": 0, "nomegar": 0, "nbandsgw": -1, "nbandso": -1, "nbandsv": -1, "nelmhf": 1, "dim": 3, "antires": 0, "omegamin": -30.0, "omegatl": -200.0, "omegagrid": 140, "selfenergy": false, "lspectral": false, "lspectralgw": false, "lsingles": false, "lfermigw": false, "oddonlygw": false, "evenonlygw": false, "nkredlfx": 1, "nkredlfy": 1, "nkredlfz": 1, "maxmem": 2800, "telescope": 0, "taupar": 1, "omegapar": -1, "lambda": 1.0, "ofield_kappa": 0.0, "ofield_k": [0.0, 0.0, 0.0], "ofield_q6_near": 0.0, "ofield_q6_far": 0.0, "ofield_a": 0.0}


unique_id: 8b8bf9283b63396763099218dd25882b
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic.xml.gz"}
calculator_parameters:
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unique_id: bba705c7ba3b507a2b2dbf5d4c39eb45
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal.xml.gz"}
calculator_parameters:
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unique_id: 9175295a0d3a1bff4df88ee96f2a049a
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-flipMA-relax.xml.gz"}
calculator_parameters:
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unique_id: dd1c3fcc7258f3a97e95721d9d4e2dca
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-1.xml.gz"}
calculator_parameters:
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unique_id: a35afdd46c0259b2ddab227aaeeead6b
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-10.xml.gz"}
calculator_parameters:
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unique_id: c85db192784d190eca22cf5eb3a02f51
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-101.xml.gz"}
calculator_parameters:
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unique_id: 69e4c8ed8eaa6705683912cfec0f5bd5
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-102.xml.gz"}
calculator_parameters:
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unique_id: 8761b834637f5d1ba759c41a68e51931
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-103.xml.gz"}
calculator_parameters:
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unique_id: ddd09b6ac9029695a5d4db24a7747e2f
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-104.xml.gz"}
calculator_parameters:
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unique_id: 635e64bc4905f210e3bd2064ab07462d
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-105.xml.gz"}
calculator_parameters:
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unique_id: ad8ce27ccf63f3018662cee538bba45a
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-106.xml.gz"}
calculator_parameters:
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