# systems

unique_id: 7c9110debbcbc6e678bd1b1b17635190
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-107.xml.gz"}
calculator_parameters:
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"lscalu": false, "lasync": false, "lorbitalreal": false, "idiot": 3, "phon_nstruct": -1, "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, "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": 12.66418697, "model_alpha": 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"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: 5791e3f3d5981c4c2ddaf290c3294204
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-108.xml.gz"}
calculator_parameters:
  {"kpoints_generation": {"divisions": [2, 1, 2], "usershift": [0.0, 0.0, 0.0], "genvec1": [0.5, 0.0, 0.0], "genvec2": [0.0, 1.0, 0.0], "genvec3": [0.0, 0.0, 0.5], "shift": [0.0, 0.0, 0.0]}, "system": "unknown system", "lcompat": false, "prec": "acc", "enmax": 520.0, "enaug": 644.873, "ediff": 1e-05, "ialgo": 38, "iwavpr": 10, "nbands": 840, "nbandslow": -1, "nbandshigh": -1, "nelect": 1280.0, "turbo": 0, "irestart": 0, "nreboot": 0, "nmin": 0, "eref": 0.0, "ismear": 0, "sigma": 0.1, "kspacing": 0.25, "kgamma": true, "kblowup": true, "lreal": false, "ropt": [0.0, 0.0, 0.0, 0.0, 0.0], "lmaxpaw": -100, "lmaxmix": 4, "nlspline": false, "istart": 0, "icharg": 2, "iniwav": 1, "ispin": 1, "lnoncollinear": false, "magmom": [1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 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"lscalu": false, "lasync": false, "lorbitalreal": false, "idiot": 3, "phon_nstruct": -1, "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, "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": 12.73873004, "model_alpha": 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unique_id: ad32986215346e176a0f9e34111678c3
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-109.xml.gz"}
calculator_parameters:
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unique_id: 89e7f597944414d1520455bf2c38cc92
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-11.xml.gz"}
calculator_parameters:
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unique_id: 2b040af867c6d1511821816a7194d938
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-110.xml.gz"}
calculator_parameters:
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unique_id: dad208d46f9980f6ad5743874738829f
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-111.xml.gz"}
calculator_parameters:
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unique_id: 702a44519b8678ee0d7c7e37d1cdb19f
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-112.xml.gz"}
calculator_parameters:
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unique_id: 1c2b23e3ad2887d1cd4189c6c8880af8
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-113.xml.gz"}
calculator_parameters:
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unique_id: ff775452a1a90cd41584ee0a6ad8fdc9
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-114.xml.gz"}
calculator_parameters:
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unique_id: a512cc4edbaac3672b21b64ef4fcd38f
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-115.xml.gz"}
calculator_parameters:
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unique_id: 1308280ec9f6fb55ca88c425a1a9f287
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-116.xml.gz"}
calculator_parameters:
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unique_id: f1271b0f99aa389f3b925e4effcdebc8
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-117.xml.gz"}
calculator_parameters:
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unique_id: fc51d003428c0e4947fc9c487173dc82
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-118.xml.gz"}
calculator_parameters:
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unique_id: ba585c4d5d240fb9b9e96817e3e0ec8b
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-119.xml.gz"}
calculator_parameters:
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unique_id: 472c782e3cd706d5516a23cb6a7d3f34
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-12.xml.gz"}
calculator_parameters:
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unique_id: d59e9649f054ebe0d2eda9ba7d77fbe2
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-120.xml.gz"}
calculator_parameters:
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unique_id: a33a3225175a0b982e469f8db4666fce
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-121.xml.gz"}
calculator_parameters:
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unique_id: 36750bee2a9ed2509512679e8fb90cf1
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-122.xml.gz"}
calculator_parameters:
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unique_id: 4da707ee9305d4691576496efd31f958
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-123.xml.gz"}
calculator_parameters:
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unique_id: a8f47b55f6c321867f91f789829dc281
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-124.xml.gz"}
calculator_parameters:
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unique_id: c73a4cf708c4bf9e282a074fbc700ad4
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-125.xml.gz"}
calculator_parameters:
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unique_id: 85a3948d8b8761932bfb8968e54fb3a6
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-126.xml.gz"}
calculator_parameters:
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unique_id: ed177b1176ddb96fd2f409bd297bd756
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-127.xml.gz"}
calculator_parameters:
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unique_id: a3fbcad3e42e22cc4bef9a6732d74bf4
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-128.xml.gz"}
calculator_parameters:
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unique_id: 36f2a3e3c5a2ffc119c9487546d3a9a1
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-129.xml.gz"}
calculator_parameters:
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unique_id: cca81b9d35b851411bdfa1bbf40f9fa6
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-13.xml.gz"}
calculator_parameters:
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unique_id: 815090d16c8c03eb26db9221951b8862
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-130.xml.gz"}
calculator_parameters:
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unique_id: 694b0952af7c72f4703e63157997f4e0
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-131.xml.gz"}
calculator_parameters:
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unique_id: 6d7fd56aeb614c1970b134be4af72b9e
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-132.xml.gz"}
calculator_parameters:
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unique_id: ffd90e10e73ae3594924a6c1e9e26975
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-133.xml.gz"}
calculator_parameters:
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unique_id: bd4461dbdecf9939c69f9a811f99ea43
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-134.xml.gz"}
calculator_parameters:
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unique_id: 7e63be350720fad17a450e98626a7946
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-135.xml.gz"}
calculator_parameters:
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unique_id: 6046ca8338d8f33b30f8464ffa47bbb4
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-136.xml.gz"}
calculator_parameters:
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unique_id: 899891dae4bd37b7ae347bbe769ed8cf
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-137.xml.gz"}
calculator_parameters:
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unique_id: fdcac2bd904586e059d09467a9cba003
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-138.xml.gz"}
calculator_parameters:
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unique_id: e2863e2788226c14e00314b6590a9b9e
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-139.xml.gz"}
calculator_parameters:
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unique_id: 4018fa9e7b6eccab640db31c8c91a1a4
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-14.xml.gz"}
calculator_parameters:
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unique_id: 85a98f495cea5a38ca8fb50a6c95daec
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-140.xml.gz"}
calculator_parameters:
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unique_id: a62fe3402c13b196a95f217248cd505f
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-141.xml.gz"}
calculator_parameters:
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unique_id: 28a6d1a88e63b2416321bbc340d6fcff
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-142.xml.gz"}
calculator_parameters:
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unique_id: c455d02821fb19dc120bc61de19ba1fd
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-143.xml.gz"}
calculator_parameters:
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unique_id: 141796bf3c657a13e7f6cdb018721fbd
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-144.xml.gz"}
calculator_parameters:
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unique_id: 3ea1ad84248b4add5ee02a7a8768ca0d
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-145.xml.gz"}
calculator_parameters:
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unique_id: a83beb3b3430593eb103ebec7916945c
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-146.xml.gz"}
calculator_parameters:
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unique_id: c4794897e84bfc30fac113a9f4799326
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-147.xml.gz"}
calculator_parameters:
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unique_id: 50791f5b379cb8e24ca28ca20062c816
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-148.xml.gz"}
calculator_parameters:
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unique_id: ef342457fd2f1ec4303d40ed88a756ab
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-149.xml.gz"}
calculator_parameters:
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unique_id: fab0711a64ed84ec3c0b4f3b9c7bed98
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-15.xml.gz"}
calculator_parameters:
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unique_id: e81e840778c4f72110714cac0d181c40
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-150.xml.gz"}
calculator_parameters:
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unique_id: 469bbb9f1b601e2d75496cd758bfdd38
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-151.xml.gz"}
calculator_parameters:
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unique_id: b7bfb6285feff96bd1b5950a065a9742
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-152.xml.gz"}
calculator_parameters:
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unique_id: be455f47f6fdda35d264b9028a16a868
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-153.xml.gz"}
calculator_parameters:
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unique_id: 3d74828441d848cadb3908f5c17e2780
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-154.xml.gz"}
calculator_parameters:
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unique_id: 5d4fd7f022f82599a0ac1230ea73786c
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-155.xml.gz"}
calculator_parameters:
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unique_id: ceecd7a9f1c8a9e9074e3bc017f35f77
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-156.xml.gz"}
calculator_parameters:
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unique_id: 7a709c1469ab58891e8f9bef1ddf32b6
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-157.xml.gz"}
calculator_parameters:
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unique_id: 52ccd4183b2f5da08db05e10bc180c5d
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-158.xml.gz"}
calculator_parameters:
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unique_id: b44f2520cc8ac40545116416d2fb0f07
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-159.xml.gz"}
calculator_parameters:
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unique_id: c9ade3694cd45cde4a77b35102eb7cc2
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-16.xml.gz"}
calculator_parameters:
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unique_id: 28e686181ff4df395cc4206369b9d4fd
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-160.xml.gz"}
calculator_parameters:
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unique_id: 3905d7cbd0248ac609984bcc9476211c
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-161.xml.gz"}
calculator_parameters:
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