# systems

unique_id: 6a156bf29ae4cd2ce96c98b539aba08b
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale-0.02.xml.gz"}
calculator_parameters:
  {"kpoints_generation": {"divisions": [4, 4, 4], "usershift": [0.0, 0.0, 0.0], "genvec1": [0.25, -0.0, 0.0], "genvec2": [-0.0, 0.25, 0.0], "genvec3": [-0.0, 0.0, 0.25], "shift": [0.5, 0.5, 0.5]}, "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, 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": 12.71494767, "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: 5a3de0d8122dfb8c3a0244112e4d8584
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale0.02.xml.gz"}
calculator_parameters:
  {"kpoints_generation": {"divisions": [4, 5, 4], "usershift": [0.0, 0.0, 0.0], "genvec1": [0.25, 0.0, 0.0], "genvec2": [0.0, 0.2, 0.0], "genvec3": [0.0, 0.0, 0.25], "shift": [0.5, 0.0, 0.5]}, "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, 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": 12.69246446, "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: eb92bfdb4ca35773f0c1c84a4c3dc72d
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale-0.04.xml.gz"}
calculator_parameters:
  {"kpoints_generation": {"divisions": [4, 4, 4], "usershift": [0.0, 0.0, 0.0], "genvec1": [0.25, 0.0, -0.0], "genvec2": [-0.0, 0.25, -0.0], "genvec3": [0.0, 0.0, 0.25], "shift": [0.5, 0.5, 0.5]}, "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, 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": 12.700716, "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: 26288b92a96de20e1d8576e94988559d
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale0.04.xml.gz"}
calculator_parameters:
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unique_id: dc35035ffa0acfb77355cb14a1462764
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale-0.06.xml.gz"}
calculator_parameters:
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unique_id: b97b08770dc75536236d8b02f379bbcd
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale0.06.xml.gz"}
calculator_parameters:
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unique_id: 74df35d4fb891c74704e0f07ee57da63
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale-0.08.xml.gz"}
calculator_parameters:
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unique_id: 2a9c974b36b395ba04dac0c933289e5d
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale0.08.xml.gz"}
calculator_parameters:
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unique_id: e4dd0b11ee42054e238a761abe4b4d59
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale-0.10.xml.gz"}
calculator_parameters:
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unique_id: dea67341b1ff415892ae8394ac967d4a
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale0.10.xml.gz"}
calculator_parameters:
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unique_id: fdd18db39679674e2c0e97f2cf456a85
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale-0.12.xml.gz"}
calculator_parameters:
  {"kpoints_generation": {"divisions": [4, 4, 4], "usershift": [0.0, 0.0, 0.0], "genvec1": [0.25, 0.0, 0.0], "genvec2": [0.0, 0.25, -0.0], "genvec3": [0.0, 0.0, 0.25], "shift": [0.5, 0.5, 0.5]}, "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, 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": 12.65396073, "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: 2ea272f6babbca413fd6c44bd45a12a1
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale-0.14.xml.gz"}
calculator_parameters:
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unique_id: 5e029e9c7fe47045fb362cf64e0f8576
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale-0.16.xml.gz"}
calculator_parameters:
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unique_id: 7bf97cb3a2540d5ea7e678e2f7ce2587
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale-0.18.xml.gz"}
calculator_parameters:
  {"kpoints_generation": {"divisions": [4, 4, 4], "usershift": [0.0, 0.0, 0.0], "genvec1": [0.25, -0.0, -0.0], "genvec2": [0.0, 0.25, 0.0], "genvec3": [-0.0, 0.0, 0.25], "shift": [0.5, 0.5, 0.5]}, "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, 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": 12.69026511, "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: 6a5e79feff13e629b9ff17f9ac56f02b
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-cubic-volscale-0.20.xml.gz"}
calculator_parameters:
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unique_id: a81baca220adb400d3bb15b8f5e8c28b
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale-0.02.xml.gz"}
calculator_parameters:
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unique_id: e111e032254d684ea5992a2b0daccb86
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale0.02.xml.gz"}
calculator_parameters:
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unique_id: 46640d241e8db02ff75f36711ab8fd0e
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale-0.04.xml.gz"}
calculator_parameters:
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unique_id: a84a3b4fd3d1b95d4623b16637a6c9b6
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale0.04.xml.gz"}
calculator_parameters:
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unique_id: 95c08eeb252e2d6b62c1b1b1cb0022a4
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale-0.06.xml.gz"}
calculator_parameters:
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unique_id: ed78f156bb2876b29e46c2fe45ee29f2
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale0.06.xml.gz"}
calculator_parameters:
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unique_id: 5148d4c10998f09fb2e547ec6b07adcf
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale-0.08.xml.gz"}
calculator_parameters:
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unique_id: 78ab6b026f8323904414dddaf2afaed4
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale0.08.xml.gz"}
calculator_parameters:
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unique_id: 935a7bd0cd03bf11013025a8c67efbb1
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale-0.10.xml.gz"}
calculator_parameters:
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unique_id: 47af204e2986b3a84006f05f5064db35
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale0.10.xml.gz"}
calculator_parameters:
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unique_id: c6bfccc32fd07796c9a30de158e381d8
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale-0.12.xml.gz"}
calculator_parameters:
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unique_id: 85bd4afc74373252fc96d5e839b4bbf2
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale-0.14.xml.gz"}
calculator_parameters:
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unique_id: c17ca4a9475f4ad26ae00ca6f0c6677b
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale-0.16.xml.gz"}
calculator_parameters:
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unique_id: 722c64c4176dbf82621a4550f4c50e7b
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale-0.18.xml.gz"}
calculator_parameters:
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unique_id: 1fcb2f802bc466de2db235e53acfc880
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-orthorhombic-volscale-0.20.xml.gz"}
calculator_parameters:
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unique_id: 382fe7d7ca2c240cf28e046547a1e0fb
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale-0.02.xml.gz"}
calculator_parameters:
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unique_id: 2ef1fa3c3d77c8e8947f16e27f975088
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale0.02.xml.gz"}
calculator_parameters:
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unique_id: ef9b51638d4f5a65b8dec91bcfc5ff56
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale-0.04.xml.gz"}
calculator_parameters:
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unique_id: f0ecddd368f8b45c44fb67525a14475a
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale0.04.xml.gz"}
calculator_parameters:
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unique_id: f5a7917f93c28fd338d6893ad7efe8a3
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale-0.06.xml.gz"}
calculator_parameters:
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unique_id: 1addfcae87fba2ee9d629900b2fd79b3
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale0.06.xml.gz"}
calculator_parameters:
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unique_id: 5b9e9860d1272b2c404e8ae2e164694a
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale-0.08.xml.gz"}
calculator_parameters:
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unique_id: 7686f9e42ba5eb1eaaed7494e36f59ba
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale0.08.xml.gz"}
calculator_parameters:
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unique_id: f47d2ba755189d6e2fd535af585a3585
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale-0.10.xml.gz"}
calculator_parameters:
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unique_id: 3d3a11de2a49ece5e6aaf76c52566a25
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale0.10.xml.gz"}
calculator_parameters:
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unique_id: f7a695ba92b413cab8e1b833573801c9
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale-0.12.xml.gz"}
calculator_parameters:
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unique_id: aeca1bc89f6b9a0f692cc84c471d8973
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale-0.14.xml.gz"}
calculator_parameters:
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unique_id: aeca796862cc0bacb5b9682e78d4688b
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale-0.16.xml.gz"}
calculator_parameters:
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unique_id: ff9c4cfe92db41e17468794982746ab7
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale-0.18.xml.gz"}
calculator_parameters:
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unique_id: 1272cd72844c5a6c5c38e8541cf3a271
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-tetragonal-volscale-0.20.xml.gz"}
calculator_parameters:
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unique_id: 81e3f6ced5c90985c31f8b80c5eacebc
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle-1.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 688ea20d79d69c9ecc5f2e2eeb5dd520
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle-11.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 1a370c39670f71c5db0b1ae7324c2db1
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle-13.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 696bad837175af60e8bc9fb8c0859e06
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle-15.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: bc8d9cfbd881bc789f6da00fe6149920
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle-3.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 3fd86a837d410d465625ccac46b6fb7d
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle-5.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 634f4f6e1c1fb262b782ed348a68ecb2
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle-7.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 5ff54a500a21a38274a7ac2df817a4e5
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle-9.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 38d98545e3bd9b8d2581a0c601c62135
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle1.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 9b3e1d3e3c3e8a3854b94d3e0ca60d07
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle11.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 4ae19ed4483251006e11c4e91114b9f2
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle13.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: d4f4954e33263ce5a62bcaa48a16f70c
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle15.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: d7b99e02cd685cc76756493875dd30d5
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle3.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: de13e7e1a4e04c513d0fa3701f49237f
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle5.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 22c567fbc76517393b6d8c3e36cb9510
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle7.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 464ddb48a89dffaae7390b0b906fecf6
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-1.0_zangle9.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: c0b32dfd2cbd8dd1e83c30422c82be14
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-2.0_zangle-1.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 69dc976306e9e7a2688f309b4bbb7da7
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-2.0_zangle-11.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 8c729605eeb0a5ec6b4836bbbaabeedf
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-2.0_zangle-13.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: d3615d0af6189965fcbcc355d4e19c26
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-2.0_zangle-15.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 2147102d9d8744d191a86d570aa3457d
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-2.0_zangle-3.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: ab7f29d7a406e1f627000835f588eab2
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-2.0_zangle-5.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 8fb8af7bd2edb33b9e8c2972a0d1b0dc
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-2.0_zangle-7.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 77a2c484c4ec744a7c794c1c4288ddb3
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-2.0_zangle-9.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 43ac922519dc712da5cee241e6420570
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-2.0_zangle1.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: f4f349d5da483ea3faa5d3d593daa72c
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-2.0_zangle11.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 63f0254b055f67cd51bff14b0a247f87
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-2.0_zangle13.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: fc9e0287182e26a4026162092e2eb7bb
username: x_magra
calculator: vasp
calculator_parameters:
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key_value_pairs:
  {"filename": "run_glazer_tetragonal_xyangle-2.0_zangle15.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


unique_id: 72c59a35418add9bfd165f2b05abcef4
username: x_magra
calculator: vasp
calculator_parameters:
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"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": 12.68341771, "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_xyangle-2.0_zangle3.0_spring1000_2x2x2_npt_ber_T100_P0_gen1-model0.xml.gz"}


