# systems

unique_id: 2ad180c48ec6cdd6402e22816be57a87
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-272.xml.gz"}
calculator_parameters:
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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: 8e097beedc9d7718766115350b97d6d5
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-273.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": 12.74079567, "model_alpha": 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unique_id: 3e5f620f6061c97df9254993f50a67d7
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-274.xml.gz"}
calculator_parameters:
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unique_id: 3652c170cdfeb31c817e8d40ce9b9389
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-275.xml.gz"}
calculator_parameters:
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unique_id: 37fae5a7e8a27dd011db545a0609c848
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-276.xml.gz"}
calculator_parameters:
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unique_id: 5f027f171369fb31f7fab5d7afd2a151
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-277.xml.gz"}
calculator_parameters:
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unique_id: 2328b4bc8eba65951d809a7c10dc83d6
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-278.xml.gz"}
calculator_parameters:
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unique_id: 5e2f13b52fdad8aac9d87fc35dbe7cda
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-279.xml.gz"}
calculator_parameters:
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unique_id: 4d3805a1526f173a53cf82abd49d9339
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-28.xml.gz"}
calculator_parameters:
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unique_id: 3bddf226d4c9c0e1998139ffb214d8a4
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-280.xml.gz"}
calculator_parameters:
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unique_id: dbd45ad5ab340928598fe692e56914a5
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-281.xml.gz"}
calculator_parameters:
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unique_id: 86161c01877419718d09bd3daece648a
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-282.xml.gz"}
calculator_parameters:
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unique_id: 3334c2a9ffdd08be8ac40112ba062e35
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-283.xml.gz"}
calculator_parameters:
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unique_id: 57f59e8784303b3ce69491fd8ec4d554
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-284.xml.gz"}
calculator_parameters:
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unique_id: 48bbcb3690eb92bf98d7a599185bf273
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-285.xml.gz"}
calculator_parameters:
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unique_id: 9c51d88818498ec2157b0168ab9552c5
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-286.xml.gz"}
calculator_parameters:
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unique_id: af4ec9faa30c6224e41f8187d7e3c0bc
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-287.xml.gz"}
calculator_parameters:
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unique_id: 8e201f10787e52c61f9d01fadf17b5fc
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-288.xml.gz"}
calculator_parameters:
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unique_id: 1ce9652b4db05c7d4fcbb0586dd34500
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-289.xml.gz"}
calculator_parameters:
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unique_id: 2c52650cab9a166bdd37fc00ffc9e25d
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-29.xml.gz"}
calculator_parameters:
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unique_id: a302efe7809af4e1af54b43b97e7e379
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-290.xml.gz"}
calculator_parameters:
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unique_id: 46707af676533e634b5bc99dde489e98
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-291.xml.gz"}
calculator_parameters:
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unique_id: 3f27cbcc911ff3af9c6032f853e2f8dc
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-292.xml.gz"}
calculator_parameters:
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unique_id: 9a836775274dd0ef4936fa67e5402ba9
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-293.xml.gz"}
calculator_parameters:
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unique_id: d6e6e9820b0753d81733b172215d15bd
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-294.xml.gz"}
calculator_parameters:
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unique_id: b883f6612c5c59c553bb0aebdf1b74fb
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-295.xml.gz"}
calculator_parameters:
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unique_id: 5f16dee7c90ff48d628b3e8c5059a0ec
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-296.xml.gz"}
calculator_parameters:
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unique_id: 3fe485a7008bd8d000da80793f5db8f7
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-297.xml.gz"}
calculator_parameters:
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unique_id: a0ee4c29d2bba6be6582ae4f649cb7a6
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-298.xml.gz"}
calculator_parameters:
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unique_id: e4218ed1c37a0947d637db6a89373720
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-299.xml.gz"}
calculator_parameters:
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unique_id: 1195bdb45489b1fd3ae554e06b097a52
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-3.xml.gz"}
calculator_parameters:
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unique_id: 99cbbc34267140574f691d31649d9bcd
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-30.xml.gz"}
calculator_parameters:
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unique_id: b204c76d6a40caee5b5f080279bd7a89
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-300.xml.gz"}
calculator_parameters:
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unique_id: fd32cf841dc9f9d1d70e16e94d0dbc82
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-31.xml.gz"}
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unique_id: 6785146068da0b3c96822e8a3e4eae95
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-32.xml.gz"}
calculator_parameters:
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unique_id: 98d57a3880e1c8570d710cd3e0ebf6dd
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-33.xml.gz"}
calculator_parameters:
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unique_id: b52a86583dc27a4dc25848dbe0e7b24f
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-34.xml.gz"}
calculator_parameters:
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unique_id: 39c17ea92e5d30b0fa8dd9dfb01b8cfb
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-35.xml.gz"}
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unique_id: b14f4aa1a1cb28bce79dae718257c726
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-36.xml.gz"}
calculator_parameters:
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unique_id: 1a0d7706170a7f3cd14b15d23ace04a1
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-37.xml.gz"}
calculator_parameters:
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unique_id: 38797d5ec509281039b5b5d97593516a
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-38.xml.gz"}
calculator_parameters:
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unique_id: 26505a14584dbc2cf40232f92a3c6952
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-39.xml.gz"}
calculator_parameters:
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unique_id: b4593e38a3cc77fc0d3a431d0b732948
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-4.xml.gz"}
calculator_parameters:
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unique_id: b5826d8d9ee59d05a65a68a08433ad87
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-40.xml.gz"}
calculator_parameters:
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unique_id: 34930d07381903b6ddcfc17a2dd5b018
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-41.xml.gz"}
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unique_id: 748e5c6178f236b38349975d47252fbc
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-42.xml.gz"}
calculator_parameters:
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unique_id: 618478069c4bb17b09a17aa3e3ac66d1
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-43.xml.gz"}
calculator_parameters:
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unique_id: 70a01401427e6eb2b17eb844edeaef53
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-44.xml.gz"}
calculator_parameters:
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unique_id: 7449d6b990e6de733d103fd2a4dcf195
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-45.xml.gz"}
calculator_parameters:
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unique_id: ac3b0252ea2de9304eb6a87515e67fbe
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-46.xml.gz"}
calculator_parameters:
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unique_id: 6538fc53ab5ef599c273bcde26650caf
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-47.xml.gz"}
calculator_parameters:
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unique_id: defb82b71eca42ceb85f56e069b83796
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-48.xml.gz"}
calculator_parameters:
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unique_id: ca34b04186db235a39e7a832df7b9924
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-49.xml.gz"}
calculator_parameters:
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unique_id: 6d636fc04b67dbcf3fe53f33925a3185
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-5.xml.gz"}
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unique_id: 3a1a04e53df55c0023b8da72de8aa0c2
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-50.xml.gz"}
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unique_id: 1bbd64e5f81b1eebc819df29b436b5d9
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-6.xml.gz"}
calculator_parameters:
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unique_id: 8c74c88312ae6077ab0ca090c3c529cb
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-61.xml.gz"}
calculator_parameters:
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unique_id: cc8a32fe13b62da39d5716347eeb205c
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-7.xml.gz"}
calculator_parameters:
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unique_id: 3f0848d04d4f480e044a9176ab732e6e
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-72.xml.gz"}
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unique_id: 565e1ecf9422cf48646a46eac4ab69bc
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-8.xml.gz"}
calculator_parameters:
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unique_id: 4ad4769e7e87820a7c49e49458f22128
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-83.xml.gz"}
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unique_id: 87ee15c86821079d0882b909bbb9af32
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-9.xml.gz"}
calculator_parameters:
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