# systems

unique_id: 8daa1dda93628149e4120914c24ccf6e
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-217.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": 12.7184543, "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: 3004ab59dbb8c0e1f88912b7a4017a7e
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-218.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": 12.71025357, "model_alpha": 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unique_id: fcb68cf8dc82c17b11b8515b3fec345b
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-219.xml.gz"}
calculator_parameters:
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unique_id: 929cea3f23a3b5d069ce7d035c03644f
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-22.xml.gz"}
calculator_parameters:
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unique_id: 9e16f26d9a7452f40eb94e4934269f79
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-220.xml.gz"}
calculator_parameters:
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unique_id: b744630f618c56b19f4f2e776653d0a9
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-221.xml.gz"}
calculator_parameters:
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unique_id: 9f811ee9abdb02b7ed1d7c71472c4f62
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-222.xml.gz"}
calculator_parameters:
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unique_id: b247cea23a74a47badf1e5e109f87194
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-223.xml.gz"}
calculator_parameters:
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unique_id: 1b091f008bf1e9bfb14675b441311ef8
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-224.xml.gz"}
calculator_parameters:
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unique_id: c756466aa64368d86de8ab46d1ef21a7
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-225.xml.gz"}
calculator_parameters:
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unique_id: bbf3bd0e0b2095433ddab16c4295298d
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-226.xml.gz"}
calculator_parameters:
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unique_id: 17b6f39a8f8ba1b1bbc1c5b9c7c41cf9
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-227.xml.gz"}
calculator_parameters:
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unique_id: 44d390da6c6bb709f4944fc750b1fce3
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-228.xml.gz"}
calculator_parameters:
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unique_id: f8d34e057bb6b05dea4defa9d8c7bb24
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-229.xml.gz"}
calculator_parameters:
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unique_id: 5c3692615038032fdaafeb93af189c0d
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-23.xml.gz"}
calculator_parameters:
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unique_id: 3f0a6e5251e067ef045fa9b3f1a01265
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-230.xml.gz"}
calculator_parameters:
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unique_id: 1ea368f0cda6afdbc9c2c734e204c77f
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-231.xml.gz"}
calculator_parameters:
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unique_id: 56585a6c0bfe0f8ca783d6ebad463ae5
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-232.xml.gz"}
calculator_parameters:
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unique_id: 8566b18acbd51de2519dbd57a460b8bd
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-233.xml.gz"}
calculator_parameters:
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unique_id: 975a20261f10e60fdd6b366e336d7441
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-234.xml.gz"}
calculator_parameters:
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unique_id: 22ff777984e7b947dbf205ff826c36d1
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-235.xml.gz"}
calculator_parameters:
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unique_id: 8992a6c68bf2921ab47a2fa712098c79
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-236.xml.gz"}
calculator_parameters:
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unique_id: 3938516641c4ee3c200149c50cfa7c7e
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-237.xml.gz"}
calculator_parameters:
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unique_id: b95f8c7ed28b63193d9148dc373009d0
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-238.xml.gz"}
calculator_parameters:
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unique_id: e5a9826243c3bedcb09d6dca152e5d2b
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-239.xml.gz"}
calculator_parameters:
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unique_id: 420c3eedc520528c340514c59152724d
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-24.xml.gz"}
calculator_parameters:
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unique_id: 8955ca40eb615ad9b79e35704e9ee267
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-240.xml.gz"}
calculator_parameters:
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unique_id: c3dfdff2c65533b4154f319d756dd51d
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-241.xml.gz"}
calculator_parameters:
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unique_id: 2f51bb43003217c9b65e7177574f410b
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-242.xml.gz"}
calculator_parameters:
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unique_id: d59b9cd4ce957300faeedbe4cca1da4f
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-243.xml.gz"}
calculator_parameters:
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unique_id: 701235badff0546de153273e6fa1d62c
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-244.xml.gz"}
calculator_parameters:
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unique_id: 9c132ec47a03571fdc71ba2f8d1bda58
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-245.xml.gz"}
calculator_parameters:
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unique_id: ce05c09835af5dc538a3bdeac5fa6d37
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-246.xml.gz"}
calculator_parameters:
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unique_id: 68ae364fc7d2297417a00b6ffa63af47
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-247.xml.gz"}
calculator_parameters:
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unique_id: 5679ea856f567c7bd77a0d7f679ae985
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-248.xml.gz"}
calculator_parameters:
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unique_id: f637c9eee79bd2e629d668596ed39b5f
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-249.xml.gz"}
calculator_parameters:
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unique_id: 4d0bd0963e73b1034545974818790901
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-25.xml.gz"}
calculator_parameters:
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unique_id: cd364955785761d7fe01b4e5f73466c4
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-250.xml.gz"}
calculator_parameters:
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unique_id: 202dad0f8d30cd4d190df88ec4350a9e
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-251.xml.gz"}
calculator_parameters:
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unique_id: 4b7ac7e904574160f878280b793e9227
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-252.xml.gz"}
calculator_parameters:
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unique_id: d9247edadd65f899d74f5ca253bcfa5a
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-253.xml.gz"}
calculator_parameters:
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unique_id: 4c87a4ac89d36939399782467136b06e
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-254.xml.gz"}
calculator_parameters:
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unique_id: e0c8865cab5dca3a324b3ff62b7ae149
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-255.xml.gz"}
calculator_parameters:
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unique_id: ee22174c2ac05e0a0122159bccbe1fe0
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-256.xml.gz"}
calculator_parameters:
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unique_id: e9bd4f7b5ea8fd5609a4365fa4720430
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-257.xml.gz"}
calculator_parameters:
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unique_id: 13c83ddb0d5ff6bc22c41ccc70d72dff
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-258.xml.gz"}
calculator_parameters:
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unique_id: 15b3f6593a7b124d3e95e45b4f0d6dbf
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-259.xml.gz"}
calculator_parameters:
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unique_id: c80356bed57d546240c2ee34198d307a
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-26.xml.gz"}
calculator_parameters:
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unique_id: 3360f1f4faa6752d7a7a6d1dde2257eb
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-260.xml.gz"}
calculator_parameters:
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unique_id: 753368ae60fa93c3e265f94a509929d8
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-261.xml.gz"}
calculator_parameters:
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unique_id: 337517af26d10f1710794c33e31382aa
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-262.xml.gz"}
calculator_parameters:
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unique_id: 4a58387ff7d61728e9663400a8e6fe40
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-263.xml.gz"}
calculator_parameters:
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unique_id: 9a285bd1d328dc66904a9fdee31478c6
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-264.xml.gz"}
calculator_parameters:
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unique_id: ea04a3a7fbf302e5e278a1b124a77998
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-265.xml.gz"}
calculator_parameters:
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unique_id: 70910eb480f5f201cd40b44d95215c02
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-266.xml.gz"}
calculator_parameters:
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unique_id: 41769c2f8223cd0f240ee6c013b3803d
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-267.xml.gz"}
calculator_parameters:
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unique_id: eff47e066ecc32e656522940fc5da613
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-268.xml.gz"}
calculator_parameters:
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unique_id: 51e2ae39c847d25780cb3e465707a321
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-269.xml.gz"}
calculator_parameters:
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unique_id: fbeb505a1ef469a0099dbbf236b9bfd1
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-27.xml.gz"}
calculator_parameters:
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unique_id: 27a2c6a6a2169f89254f81635664a260
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-270.xml.gz"}
calculator_parameters:
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unique_id: 27d1663f6074cab633dbc011383e4b06
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-271.xml.gz"}
calculator_parameters:
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