# systems

unique_id: 54b036927dceda6595c1e968c3e95d6b
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_delta-Pnma-volsc1.07.xml.gz"}
calculator_parameters:
  {"kpoints_generation": {"divisions": [6, 3, 2], "usershift": [0.0, 0.0, 0.0], "genvec1": [0.16666667, 0.0, 0.0], "genvec2": [0.0, 0.33333333, 0.0], "genvec3": [0.0, 0.0, 0.5], "shift": [0.5, 0.0, 0.5]}, "system": "unknown system", "lcompat": false, "prec": "acc", "enmax": 520.0, "enaug": 407.933, "ediff": 1e-05, "ialgo": 38, "iwavpr": 11, "nbands": 84, "nbandslow": -1, "nbandshigh": -1, "nelect": 136.0, "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, 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], "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": 3e-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": 36, "ngy": 72, "ngz": 126, "ngxf": 72, "ngyf": 144, "ngzf": 252, "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-06, "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": [35.453, 132.9, 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": "CX", "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": 0.0, "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": 20.87671886, "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: fb29a200a46f290f322bcf2ccc906fc0
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_delta-Pnma-volsc1.08.xml.gz"}
calculator_parameters:
  {"kpoints_generation": {"divisions": [6, 3, 2], "usershift": [0.0, 0.0, 0.0], "genvec1": [0.16666667, 0.0, 0.0], "genvec2": [0.0, 0.33333333, 0.0], "genvec3": [0.0, 0.0, 0.5], "shift": [0.5, 0.0, 0.5]}, "system": "unknown system", "lcompat": false, "prec": "acc", "enmax": 520.0, "enaug": 407.933, "ediff": 1e-05, "ialgo": 38, "iwavpr": 11, "nbands": 84, "nbandslow": -1, "nbandshigh": -1, "nelect": 136.0, "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, 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], "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": 3e-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": 36, "ngy": 72, "ngz": 126, "ngxf": 72, "ngyf": 144, "ngzf": 252, "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-06, "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": [35.453, 132.9, 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": "CX", "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": 0.0, "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": 21.07182839, "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: b6639fd87b2a7b05b411aaff37c04706
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_delta-Pnma-volsc1.09.xml.gz"}
calculator_parameters:
  {"kpoints_generation": {"divisions": [6, 3, 2], "usershift": [0.0, 0.0, 0.0], "genvec1": [0.16666667, 0.0, 0.0], "genvec2": [0.0, 0.33333333, 0.0], "genvec3": [0.0, 0.0, 0.5], "shift": [0.5, 0.0, 0.5]}, "system": "unknown system", "lcompat": false, "prec": "acc", "enmax": 520.0, "enaug": 407.933, "ediff": 1e-05, "ialgo": 38, "iwavpr": 11, "nbands": 84, "nbandslow": -1, "nbandshigh": -1, "nelect": 136.0, "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, 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], "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": 3e-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": 36, "ngy": 72, "ngz": 126, "ngxf": 72, "ngyf": 144, "ngzf": 252, "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-06, "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": [35.453, 132.9, 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": "CX", "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": 0.0, "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": 21.26693791, "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: 99a13145d3d9a03ddbe0fa20723e755f
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_delta-Pnma-volsc1.10.xml.gz"}
calculator_parameters:
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unique_id: ff968a7451f74b3006ea78941b5b1d65
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_delta-Pnma-volsc1.11.xml.gz"}
calculator_parameters:
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unique_id: 7e7c689460b2bd52de1d0e6d9a531fab
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.70.xml.gz"}
calculator_parameters:
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unique_id: fc6eaf7af1999304f034bb64960c07e8
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.71.xml.gz"}
calculator_parameters:
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unique_id: 6f949f1d790fa517fa05ac473838cd7b
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.72.xml.gz"}
calculator_parameters:
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unique_id: 5e9fdfa41ea5e6f4f1e169b824a9836f
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.73.xml.gz"}
calculator_parameters:
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unique_id: 76199a45cff85893d28052aae9dd0ba1
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.74.xml.gz"}
calculator_parameters:
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unique_id: 608eeed0b48ab4d2f16140c79b473e50
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.75.xml.gz"}
calculator_parameters:
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unique_id: aa232156375ea15d0a34ecdcc5e2d693
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.76.xml.gz"}
calculator_parameters:
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unique_id: e3943655bd1204338ff7e27a97e07a57
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.77.xml.gz"}
calculator_parameters:
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unique_id: d5024f5719b78cabfcdb83c4b7f65c15
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.78.xml.gz"}
calculator_parameters:
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unique_id: 821e94678d460843fa062cc147838760
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.79.xml.gz"}
calculator_parameters:
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unique_id: 4932396be6955f0627e48722778a2e9a
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.80.xml.gz"}
calculator_parameters:
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unique_id: a73cd75d04d037637bcce90d7ef55e84
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.81.xml.gz"}
calculator_parameters:
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unique_id: 3bbc0de7889df48b11dc0097da1082fa
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.82.xml.gz"}
calculator_parameters:
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unique_id: d35eda0cb7fc6256f3928a379267d79e
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.83.xml.gz"}
calculator_parameters:
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unique_id: 2a43bf8ae600faced6bfae46fe5844fc
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.84.xml.gz"}
calculator_parameters:
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unique_id: aa643759b4ec614669e20e8a2a94dbf4
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.85.xml.gz"}
calculator_parameters:
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unique_id: 166c8722387b76105a277a5433b596d3
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.86.xml.gz"}
calculator_parameters:
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unique_id: 6c08ad23ce2785d20eddde382e8a596e
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.87.xml.gz"}
calculator_parameters:
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unique_id: ecd6a88f2c2cf369c63c07e502cf79fb
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.88.xml.gz"}
calculator_parameters:
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unique_id: 913e1989ab99b9a259e37d1a60be8b5b
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.89.xml.gz"}
calculator_parameters:
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unique_id: 6d4d0112a7e892e876b087055e9b7f7f
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.90.xml.gz"}
calculator_parameters:
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unique_id: 2e757547e1f8047006f30eaf7d9d8b80
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.91.xml.gz"}
calculator_parameters:
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unique_id: 1aaa96f344ccd4081f1786d714781bd1
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.92.xml.gz"}
calculator_parameters:
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unique_id: 35b006f0dfa38630f259dacef09e773e
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.93.xml.gz"}
calculator_parameters:
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unique_id: 83a7305fcfc1fe67e50d3f5407f51698
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.94.xml.gz"}
calculator_parameters:
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unique_id: ec04838f00f8ff649bc5b8f8cc8973db
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.95.xml.gz"}
calculator_parameters:
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unique_id: d6984071ede1535805e2cee00a33a89e
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.96.xml.gz"}
calculator_parameters:
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unique_id: bfa6af27a32558b6837bafe30f1a24c3
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.97.xml.gz"}
calculator_parameters:
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unique_id: 1c0d1d97e60f34cb13a40052a9f47336
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.98.xml.gz"}
calculator_parameters:
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unique_id: c6f569f689b676f9c2bf4a8a1a30650d
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc0.99.xml.gz"}
calculator_parameters:
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unique_id: 4d73f82f9cddef580bba15c960518ae7
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc1.00.xml.gz"}
calculator_parameters:
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unique_id: 5d06827eafe9002d9a927703e10c80a6
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc1.01.xml.gz"}
calculator_parameters:
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unique_id: 3291621b28e6fdec5d6e553db7b18680
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc1.02.xml.gz"}
calculator_parameters:
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unique_id: a719dfe60fe36f64fbeac069d794832d
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc1.03.xml.gz"}
calculator_parameters:
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unique_id: 577dfc835f83dbd5940e2d3043d641db
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc1.04.xml.gz"}
calculator_parameters:
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unique_id: cb69cfd9023dfb315e4a493b1754d147
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc1.05.xml.gz"}
calculator_parameters:
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unique_id: 8cee6c3e9ad5966fe6dd6d1631cf1e1c
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc1.06.xml.gz"}
calculator_parameters:
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unique_id: 7f8a2da34b14d3e260f8449982e37c79
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc1.07.xml.gz"}
calculator_parameters:
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unique_id: 15ff6b966c2b4468004f7f8cfa51e9c3
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc1.08.xml.gz"}
calculator_parameters:
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unique_id: dae5ad7c65a183dd0b780d397bb8ef61
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc1.09.xml.gz"}
calculator_parameters:
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unique_id: d611daf025a00ab011f76caa3cc62079
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc1.10.xml.gz"}
calculator_parameters:
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unique_id: 92a94bb5ed6e8f3152beab07dfcb0a97
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_orthorhombic-Pnma-volsc1.11.xml.gz"}
calculator_parameters:
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unique_id: 3e40474fb525828825bfac0ef99435ea
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.70.xml.gz"}
calculator_parameters:
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unique_id: c24c829d8a01dbcd6548ffe57270e817
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.71.xml.gz"}
calculator_parameters:
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unique_id: 77f72bdd7a98965f4c077a01a39132f5
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.72.xml.gz"}
calculator_parameters:
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unique_id: dec718fc7372450e3c55dfa77343a11f
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.73.xml.gz"}
calculator_parameters:
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unique_id: 7a66eb12a3c0272c4acb9ee083e62a07
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.74.xml.gz"}
calculator_parameters:
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unique_id: bd928de577d95659308f4bfd6e6a36ce
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.75.xml.gz"}
calculator_parameters:
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unique_id: 9a40d4cc92d772354f1ec54bc2b54043
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.76.xml.gz"}
calculator_parameters:
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unique_id: 5a0ca1706dc594358ddeb93f1c3555ce
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.77.xml.gz"}
calculator_parameters:
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unique_id: 3b4771c5e1f3fba71104f747a911b182
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.78.xml.gz"}
calculator_parameters:
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unique_id: 4353b0fc6f4c7d4910e8f9e8f02ce8fd
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.79.xml.gz"}
calculator_parameters:
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unique_id: 655a2de2c2cc10fc1adfec9fb6ed5644
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.80.xml.gz"}
calculator_parameters:
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unique_id: eb0a4832e8770ec743b12cb4329bb621
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.81.xml.gz"}
calculator_parameters:
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unique_id: 6a90559ca1c594e81f86c0f31473bd11
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.82.xml.gz"}
calculator_parameters:
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unique_id: a63f7470aa771c82900ee4cbacef4a12
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.83.xml.gz"}
calculator_parameters:
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unique_id: 27d8fa62d80aad7aa80511f711aa69bb
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.84.xml.gz"}
calculator_parameters:
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unique_id: 9569137836a6a5c3d2d718edb42c5616
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.85.xml.gz"}
calculator_parameters:
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unique_id: 321e958c7fe1b52cd92827e677824681
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.86.xml.gz"}
calculator_parameters:
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unique_id: 2b98d0689d2809f79de9da68e6f2b21a
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.87.xml.gz"}
calculator_parameters:
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unique_id: 1ac61ef4e6d41bbff16d2a8770a9e4bb
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.88.xml.gz"}
calculator_parameters:
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unique_id: d8148093ad2ebc0d08a5202ae60dab25
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.89.xml.gz"}
calculator_parameters:
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unique_id: cabe8d8349672af753e4d13cc8391fdd
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.90.xml.gz"}
calculator_parameters:
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unique_id: 138e41779e750e8e487aa6605500dca4
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.91.xml.gz"}
calculator_parameters:
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unique_id: 5338a5d7f48139468f1f028473a47ec0
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.92.xml.gz"}
calculator_parameters:
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unique_id: 6977fc799a457c0334c8f637bfcce1dc
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.93.xml.gz"}
calculator_parameters:
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unique_id: 7d865e64fd7425157ebd2c9d0a3b4c1e
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.94.xml.gz"}
calculator_parameters:
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unique_id: 9492f1a182447ddb9d35793c61dbf777
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.95.xml.gz"}
calculator_parameters:
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unique_id: f2b0e7ed112928b9435ad9e70da81b90
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.96.xml.gz"}
calculator_parameters:
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unique_id: daf2a6db3177122c5972c524036744da
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.97.xml.gz"}
calculator_parameters:
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unique_id: 9bfb6f9f8f9eb982262f4a6ca939a3b3
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.98.xml.gz"}
calculator_parameters:
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unique_id: 80ebcb0fce68135ec0f9bdfeeba9805b
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc0.99.xml.gz"}
calculator_parameters:
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unique_id: d63e3722f7f903236164e7fcf99adc4d
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc1.00.xml.gz"}
calculator_parameters:
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unique_id: 4e56956ddfe54260847f73b945f75d60
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc1.01.xml.gz"}
calculator_parameters:
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unique_id: ffc89eaff038006a414e55142cf0f632
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc1.02.xml.gz"}
calculator_parameters:
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unique_id: f2140613618ed258a5ba06e466175485
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc1.03.xml.gz"}
calculator_parameters:
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unique_id: b272bb1f54ad71374a62d300a54263c7
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc1.04.xml.gz"}
calculator_parameters:
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unique_id: e05a601b0473fb4dc20e3448c908995f
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc1.05.xml.gz"}
calculator_parameters:
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unique_id: 11758c45f9c81ae9d809fffe80924b3a
username: erhart
calculator: vasp
key_value_pairs: {"filename": "run_tetragonal-I4mcm-volsc1.06.xml.gz"}
calculator_parameters:
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