# systems

unique_id: c7497341003896a42b804652d2882d3b
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.70.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": 407.933, "ediff": 1e-05, "ialgo": 38, "iwavpr": 11, "nbands": 24, "nbandslow": -1, "nbandshigh": -1, "nelect": 34.0, "turbo": 0, "irestart": 0, "nreboot": 0, "nmin": 0, "eref": 0.0, "ismear": 0, "sigma": 0.1, "kspacing": 0.25, "kgamma": false, "kblowup": true, "lreal": false, "ropt": [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], "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": 1e-07, "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": 42, "ngy": 42, "ngz": 42, "ngxf": 84, "ngyf": 84, "ngzf": 84, "addgrid": true, "nsw": 20, "ibrion": 1, "mdalgo": 0, "isif": 4, "pstress": 0.0, "ediffg": -0.03, "nfree": 0, "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], "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, "phon_nstruct": -1, "lmusic": false, "pomass": [132.9, 126.904, 207.2], "darwinr": [0.0, 0.0, 0.0], "darwinv": [1.0, 1.0, 1.0], "lcorr": true, "gga_compat": true, "lberry": false, "icorelevel": 0, "ldau": false, "i_constrained_m": 0, "gga": "PS", "voskown": 0, "lhfcalc": false, "precfock": "", "lsymgrad": false, "lhfone": false, "lrhfcalc": false, "lthomas": false, "lmodelhf": false, "lfockace": 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": 20.61033079, "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], "lfinite_temperature": false, "ladder": false, "lrpaforce": false, "lfxc": false, "lhartree": true, "ibse": 0, "kpoint": [-1, 0, 0, 0], "ltctc": false, "ltcte": false, "ltete": false, "ltriplet": false, "lfxceps": false, "lfxheg": false, "naturalo": 2, "lholegf": false, "l2order": false, "ldmp1": false, "lmp2lt": false, "lsmp2lt": false, "lgwlf": false, "encutgw": -2.0, "encutgwsoft": -2.0, "encutlf": -1.0, "lesf_splines": false, "lmaxmp2": -1, "scissor": 0.0, "nomega": 0, "nomegar": 0, "nbandsgw": -1, "nbandso": -1, "nbandsv": -1, "nelmhf": 1, "dim": 3, "iespilon": 4, "antires": 0, "omegamin": -30.0, "omegatl": -200.0, "omegagrid": 0, "lselfenergy": false, "lspectral": false, "lspectralgw": false, "lsingles": false, "lfermigw": false, "oddonlygw": false, "evenonlygw": false, "nkredlfx": 1, "nkredlfy": 1, "nkredlfz": 1, "maxmem": 2800, "telescope": 0, "ntaupar": -1, "nomegapar": -1, "damp_newton": 0.80000001, "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: d026c8c1aa69fef069420d6e92104706
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.71.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": 407.933, "ediff": 1e-05, "ialgo": 38, "iwavpr": 11, "nbands": 24, "nbandslow": -1, "nbandshigh": -1, "nelect": 34.0, "turbo": 0, "irestart": 0, "nreboot": 0, "nmin": 0, "eref": 0.0, "ismear": 0, "sigma": 0.1, "kspacing": 0.25, "kgamma": false, "kblowup": true, "lreal": false, "ropt": [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], "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": 1e-07, "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": 42, "ngy": 42, "ngz": 42, "ngxf": 84, "ngyf": 84, "ngzf": 84, "addgrid": true, "nsw": 20, "ibrion": 1, "mdalgo": 0, "isif": 4, "pstress": 0.0, "ediffg": -0.03, "nfree": 0, "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], "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, "phon_nstruct": -1, "lmusic": false, "pomass": [132.9, 126.904, 207.2], "darwinr": [0.0, 0.0, 0.0], "darwinv": [1.0, 1.0, 1.0], "lcorr": true, "gga_compat": true, "lberry": false, "icorelevel": 0, "ldau": false, "i_constrained_m": 0, "gga": "PS", "voskown": 0, "lhfcalc": false, "precfock": "", "lsymgrad": false, "lhfone": false, "lrhfcalc": false, "lthomas": false, "lmodelhf": false, "lfockace": 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": 20.90476408, "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], "lfinite_temperature": false, "ladder": false, "lrpaforce": false, "lfxc": false, "lhartree": true, "ibse": 0, "kpoint": [-1, 0, 0, 0], "ltctc": false, "ltcte": false, "ltete": false, "ltriplet": false, "lfxceps": false, "lfxheg": false, "naturalo": 2, "lholegf": false, "l2order": false, "ldmp1": false, "lmp2lt": false, "lsmp2lt": false, "lgwlf": false, "encutgw": -2.0, "encutgwsoft": -2.0, "encutlf": -1.0, "lesf_splines": false, "lmaxmp2": -1, "scissor": 0.0, "nomega": 0, "nomegar": 0, "nbandsgw": -1, "nbandso": -1, "nbandsv": -1, "nelmhf": 1, "dim": 3, "iespilon": 4, "antires": 0, "omegamin": -30.0, "omegatl": -200.0, "omegagrid": 0, "lselfenergy": false, "lspectral": false, "lspectralgw": false, "lsingles": false, "lfermigw": false, "oddonlygw": false, "evenonlygw": false, "nkredlfx": 1, "nkredlfy": 1, "nkredlfz": 1, "maxmem": 2800, "telescope": 0, "ntaupar": -1, "nomegapar": -1, "damp_newton": 0.80000001, "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: f3d05efd5eb450a6c9ed96293f61e2e5
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.72.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": 407.933, "ediff": 1e-05, "ialgo": 38, "iwavpr": 11, "nbands": 24, "nbandslow": -1, "nbandshigh": -1, "nelect": 34.0, "turbo": 0, "irestart": 0, "nreboot": 0, "nmin": 0, "eref": 0.0, "ismear": 0, "sigma": 0.1, "kspacing": 0.25, "kgamma": false, "kblowup": true, "lreal": false, "ropt": [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], "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": 1e-07, "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": 42, "ngy": 42, "ngz": 42, "ngxf": 84, "ngyf": 84, "ngzf": 84, "addgrid": true, "nsw": 20, "ibrion": 1, "mdalgo": 0, "isif": 4, "pstress": 0.0, "ediffg": -0.03, "nfree": 0, "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], "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, "phon_nstruct": -1, "lmusic": false, "pomass": [132.9, 126.904, 207.2], "darwinr": [0.0, 0.0, 0.0], "darwinv": [1.0, 1.0, 1.0], "lcorr": true, "gga_compat": true, "lberry": false, "icorelevel": 0, "ldau": false, "i_constrained_m": 0, "gga": "PS", "voskown": 0, "lhfcalc": false, "precfock": "", "lsymgrad": false, "lhfone": false, "lrhfcalc": false, "lthomas": false, "lmodelhf": false, "lfockace": 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": 21.19919738, "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], "lfinite_temperature": false, "ladder": false, "lrpaforce": false, "lfxc": false, "lhartree": true, "ibse": 0, "kpoint": [-1, 0, 0, 0], "ltctc": false, "ltcte": false, "ltete": false, "ltriplet": false, "lfxceps": false, "lfxheg": false, "naturalo": 2, "lholegf": false, "l2order": false, "ldmp1": false, "lmp2lt": false, "lsmp2lt": false, "lgwlf": false, "encutgw": -2.0, "encutgwsoft": -2.0, "encutlf": -1.0, "lesf_splines": false, "lmaxmp2": -1, "scissor": 0.0, "nomega": 0, "nomegar": 0, "nbandsgw": -1, "nbandso": -1, "nbandsv": -1, "nelmhf": 1, "dim": 3, "iespilon": 4, "antires": 0, "omegamin": -30.0, "omegatl": -200.0, "omegagrid": 0, "lselfenergy": false, "lspectral": false, "lspectralgw": false, "lsingles": false, "lfermigw": false, "oddonlygw": false, "evenonlygw": false, "nkredlfx": 1, "nkredlfy": 1, "nkredlfz": 1, "maxmem": 2800, "telescope": 0, "ntaupar": -1, "nomegapar": -1, "damp_newton": 0.80000001, "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: 89703d123b392a6b4d844e46c4b96100
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.73.xml.gz"}
calculator_parameters:
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unique_id: 76170b29cd1980cdc123e8d16f5eeade
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.74.xml.gz"}
calculator_parameters:
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unique_id: fd7069c9fe9c17a9b02cdd7bd904ab00
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.75.xml.gz"}
calculator_parameters:
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unique_id: e7f7199a1fda8a6ef3643c0725f99282
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.76.xml.gz"}
calculator_parameters:
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unique_id: ded4f05995f2a98f030f961080dae371
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.77.xml.gz"}
calculator_parameters:
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unique_id: 69afe53c7aa5c9abab6f63b1f7ca7abd
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.78.xml.gz"}
calculator_parameters:
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unique_id: 942dd0069d72feaabda404cacdd49d25
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.79.xml.gz"}
calculator_parameters:
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unique_id: 405aa229c96bd5b92f79b6ba4e8e1184
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.80.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": 407.933, "ediff": 1e-05, "ialgo": 38, "iwavpr": 11, "nbands": 24, "nbandslow": -1, "nbandshigh": -1, "nelect": 34.0, "turbo": 0, "irestart": 0, "nreboot": 0, "nmin": 0, "eref": 0.0, "ismear": 0, "sigma": 0.1, "kspacing": 0.25, "kgamma": false, "kblowup": true, "lreal": false, "ropt": [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], "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": 1e-07, "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": 1, "mdalgo": 0, "isif": 4, "pstress": 0.0, "ediffg": -0.03, "nfree": 0, "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], "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, "phon_nstruct": -1, "lmusic": false, "pomass": [132.9, 126.904, 207.2], "darwinr": [0.0, 0.0, 0.0], "darwinv": [1.0, 1.0, 1.0], "lcorr": true, "gga_compat": true, "lberry": false, "icorelevel": 0, "ldau": false, "i_constrained_m": 0, "gga": "PS", "voskown": 0, "lhfcalc": false, "precfock": "", "lsymgrad": false, "lhfone": false, "lrhfcalc": false, "lthomas": false, "lmodelhf": false, "lfockace": 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": 23.55466376, "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], "lfinite_temperature": false, "ladder": false, "lrpaforce": false, "lfxc": false, "lhartree": true, "ibse": 0, "kpoint": [-1, 0, 0, 0], "ltctc": false, "ltcte": false, "ltete": false, "ltriplet": false, "lfxceps": false, "lfxheg": false, "naturalo": 2, "lholegf": false, "l2order": false, "ldmp1": false, "lmp2lt": false, "lsmp2lt": false, "lgwlf": false, "encutgw": -2.0, "encutgwsoft": -2.0, "encutlf": -1.0, "lesf_splines": false, "lmaxmp2": -1, "scissor": 0.0, "nomega": 0, "nomegar": 0, "nbandsgw": -1, "nbandso": -1, "nbandsv": -1, "nelmhf": 1, "dim": 3, "iespilon": 4, "antires": 0, "omegamin": -30.0, "omegatl": -200.0, "omegagrid": 0, "lselfenergy": false, "lspectral": false, "lspectralgw": false, "lsingles": false, "lfermigw": false, "oddonlygw": false, "evenonlygw": false, "nkredlfx": 1, "nkredlfy": 1, "nkredlfz": 1, "maxmem": 2800, "telescope": 0, "ntaupar": -1, "nomegapar": -1, "damp_newton": 0.80000001, "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: 7a2468e46f3d9c5f5fa5c3273146538c
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.81.xml.gz"}
calculator_parameters:
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unique_id: 9d12ee1427089bf70a5c404f5360566d
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.82.xml.gz"}
calculator_parameters:
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unique_id: 2715917ecb9f7b505276e5178c74a2aa
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.83.xml.gz"}
calculator_parameters:
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unique_id: 61eead76c3e81f50d9f8fd45930d2ac6
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.84.xml.gz"}
calculator_parameters:
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unique_id: 5b5eb36397860e75b90cc2d7bcc08649
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.85.xml.gz"}
calculator_parameters:
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unique_id: 91cf0e8ba30ec77bd07153035c7aa177
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.86.xml.gz"}
calculator_parameters:
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unique_id: b1e3dea7bc9986e9f1dd56df88ee1239
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.87.xml.gz"}
calculator_parameters:
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unique_id: 87e3c1b98e46caee56c2f45fb5a01853
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.88.xml.gz"}
calculator_parameters:
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unique_id: bb2399bac2f1a995ec6f135320690c5f
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.89.xml.gz"}
calculator_parameters:
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unique_id: 3892dabe23b4be9ddbbd78fdca838c1d
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.90.xml.gz"}
calculator_parameters:
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unique_id: d982c0119d6031097d78bd3eebe951ef
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.91.xml.gz"}
calculator_parameters:
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unique_id: b2b805b3a578e97b3b060768d0f0de58
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.92.xml.gz"}
calculator_parameters:
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unique_id: 98df6c66437ba5d36df32e2aaff00fc8
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.93.xml.gz"}
calculator_parameters:
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unique_id: 9f229ffcd3b7a3b2d0c74ae3e323d8d4
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.94.xml.gz"}
calculator_parameters:
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unique_id: 5986c768724bde1724a4d6edf4e4aeb3
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.95.xml.gz"}
calculator_parameters:
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unique_id: 8d373782dd3ddc4b7379fb73d9829a9a
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.96.xml.gz"}
calculator_parameters:
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unique_id: e113f2cc306eff8a082834097ac68953
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.97.xml.gz"}
calculator_parameters:
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unique_id: d17d8fee372934174f5885da9b75ff92
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.98.xml.gz"}
calculator_parameters:
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unique_id: a98027c2d4e8e8885fc4fa90c5615fd0
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-cubic-volsc0.99.xml.gz"}
calculator_parameters:
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unique_id: 82331d4edf569cf75b7604d08284bdd2
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.70.xml.gz"}
calculator_parameters:
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unique_id: 5cb0fcd47704e0d465ea9ed6604dcb4c
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.71.xml.gz"}
calculator_parameters:
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unique_id: b5c1825db1a8e2dd74b1277b2b945f13
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.72.xml.gz"}
calculator_parameters:
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unique_id: 44f031c3151e7197011bcf3f2d3c67ad
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.73.xml.gz"}
calculator_parameters:
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unique_id: 8c640cf15022cf92bf4e09d128111790
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.74.xml.gz"}
calculator_parameters:
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unique_id: 7f09569657ec86685ef66fda5ec404dd
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.75.xml.gz"}
calculator_parameters:
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unique_id: 5d3436ad290182d5f19059721fadb6da
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.76.xml.gz"}
calculator_parameters:
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unique_id: 977f59d8bbc603d70f321453b7fb3687
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.77.xml.gz"}
calculator_parameters:
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unique_id: 7b967e588ed7fd50c5858edb3a211a18
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.78.xml.gz"}
calculator_parameters:
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unique_id: 30a734dd311e62d73ebfb3a7c205bb67
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.79.xml.gz"}
calculator_parameters:
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unique_id: 7cf13c985a695b8aab722e4dbf8ce6e5
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.80.xml.gz"}
calculator_parameters:
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unique_id: a76bcec861eb5c3ea2daa4eff128c819
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.81.xml.gz"}
calculator_parameters:
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unique_id: f06616cb035737dd145f75e7b670fbbd
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.82.xml.gz"}
calculator_parameters:
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unique_id: 6624c24264d388d3d8d12f99a69f8b73
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.83.xml.gz"}
calculator_parameters:
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unique_id: 1da4074eed806082eda729b631067b35
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.84.xml.gz"}
calculator_parameters:
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unique_id: b2cac10c3ae02351eb4098c2f9d2a63b
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.85.xml.gz"}
calculator_parameters:
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unique_id: df134f70980a950a60728068ad15263e
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.86.xml.gz"}
calculator_parameters:
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unique_id: 4388d580ef3f52859bd15884af2cb917
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.87.xml.gz"}
calculator_parameters:
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unique_id: d6919f588b9a2dd982ba44250d8d0f57
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.88.xml.gz"}
calculator_parameters:
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unique_id: 40de2ddad40ecd05dc0f6583024f639b
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.89.xml.gz"}
calculator_parameters:
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unique_id: b0ed94a081bc83da30e9d9887449e651
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.90.xml.gz"}
calculator_parameters:
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unique_id: 4c6f4a06fc106ac7599ef8c122cfa097
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.91.xml.gz"}
calculator_parameters:
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unique_id: 495758e27c89c7daaf14dff868977827
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.92.xml.gz"}
calculator_parameters:
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unique_id: e52df7211dc3d22d97ff81e7971ccdd0
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.93.xml.gz"}
calculator_parameters:
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unique_id: 932abc8debbab3df5ed781e33d4f1cc8
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.94.xml.gz"}
calculator_parameters:
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unique_id: d7113ea7615f1cbc7db58a1d104293ae
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.95.xml.gz"}
calculator_parameters:
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unique_id: 75e1df919eb9930d93218fbd06dc5aea
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.96.xml.gz"}
calculator_parameters:
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unique_id: 10781e75f497ef1ff0d31b1483dc9d05
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.97.xml.gz"}
calculator_parameters:
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unique_id: d12fae590b404f138ccefbbb1ffa8416
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.98.xml.gz"}
calculator_parameters:
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unique_id: db4e8eacccf106ae58553917664e710e
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-delta-volsc0.99.xml.gz"}
calculator_parameters:
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unique_id: b196861c2cb1f5efcca99beb90f9bd84
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.70.xml.gz"}
calculator_parameters:
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unique_id: 8b89a181b7b3bc4680667deaaff013c3
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.71.xml.gz"}
calculator_parameters:
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unique_id: be0ede2979551cf50acbdd720b99cbef
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.72.xml.gz"}
calculator_parameters:
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unique_id: 4ea8c156fe6ab6d262dd48076b0817ea
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.73.xml.gz"}
calculator_parameters:
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unique_id: 6aacb002b973ab62695a3f1aca860452
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.74.xml.gz"}
calculator_parameters:
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unique_id: 49beb706d33bc4aec3a1e4a723345ba8
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.75.xml.gz"}
calculator_parameters:
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unique_id: bc3dff81a0721f9e5bb09f3e4996951a
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.76.xml.gz"}
calculator_parameters:
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unique_id: a7369f0804ca53cf750c1828766bf00f
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.77.xml.gz"}
calculator_parameters:
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unique_id: f08c0bc84cebe742c3ab22b4239e73a5
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.78.xml.gz"}
calculator_parameters:
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unique_id: ba53f75e897fe95f4deca2f52c896792
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.79.xml.gz"}
calculator_parameters:
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unique_id: 1ddab14d510883deae5097b4c9c87508
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.80.xml.gz"}
calculator_parameters:
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unique_id: c2f2cd8e53c899e2aee7af984ffa632a
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.81.xml.gz"}
calculator_parameters:
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unique_id: e4b5d220f6d505173bdf2dc5287e7467
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.82.xml.gz"}
calculator_parameters:
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unique_id: 46fdc5e2736509270b0d150970e50bea
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.83.xml.gz"}
calculator_parameters:
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unique_id: e816c4c79b11149525f4ca59989feb75
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.84.xml.gz"}
calculator_parameters:
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unique_id: 9d00aaf0cd36252aa4d608f8bae14b02
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.85.xml.gz"}
calculator_parameters:
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unique_id: 178d430b2ed31cf9ac81cb7d20536a87
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.86.xml.gz"}
calculator_parameters:
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unique_id: f8f6101bded5e6f22765bc6664fd22cc
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.87.xml.gz"}
calculator_parameters:
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unique_id: a5d92112caeef960f43e6766eefdb516
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.88.xml.gz"}
calculator_parameters:
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unique_id: 24b819e335076ba86b9fd1fdeeb6e386
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.89.xml.gz"}
calculator_parameters:
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unique_id: 9cde61829ee047f30da412687a887c4e
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.90.xml.gz"}
calculator_parameters:
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unique_id: 2849797d49014772ced87886b6870fd2
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.91.xml.gz"}
calculator_parameters:
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unique_id: e90b54a23c355cfbc98e7c26389a0369
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.92.xml.gz"}
calculator_parameters:
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unique_id: 883627d38a3abe71a0da5975bd461923
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_CsPbI3-orthorhombic-volsc0.93.xml.gz"}
calculator_parameters:
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