# systems

unique_id: 62ded189d7942886771db1daeddde42b
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-162.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: 3af55b45632c09330cce95b4bf61a57c
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-163.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": 13.10479439, "model_alpha": 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unique_id: e4614999c95dea773b32190ecb59fa7c
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-164.xml.gz"}
calculator_parameters:
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unique_id: ca311a7283462cdbfd8b7d84924a575a
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-165.xml.gz"}
calculator_parameters:
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unique_id: b618032c5eba14aee8ddf98130f315ea
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-166.xml.gz"}
calculator_parameters:
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unique_id: df2f107b829b5eaa96b8e424ca52e087
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-167.xml.gz"}
calculator_parameters:
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unique_id: 8599842bbb9bd41346f6c37ba2ebebb9
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-168.xml.gz"}
calculator_parameters:
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unique_id: d233d01dba90b56d50a9dcf1933453a2
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-169.xml.gz"}
calculator_parameters:
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unique_id: 41c457d97a4cfdde6cb20ffe1091c1b4
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-17.xml.gz"}
calculator_parameters:
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unique_id: 42695cd8cbcf4db89fe1a8606f6d262b
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-170.xml.gz"}
calculator_parameters:
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unique_id: a5cbc20673b74cce0ce593b3ae4aae58
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-171.xml.gz"}
calculator_parameters:
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unique_id: adcaf769f075f81264fe62e7f7d1ad11
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-172.xml.gz"}
calculator_parameters:
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unique_id: c69e84ba2c6747abc83d0aa5908b172c
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-173.xml.gz"}
calculator_parameters:
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unique_id: f9ffe8415b4b0aeb04789c90eca128e0
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-174.xml.gz"}
calculator_parameters:
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unique_id: c405c50c9acad169765132a0373d20b7
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-175.xml.gz"}
calculator_parameters:
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unique_id: 61ef186bb82c7db67ec854a2edb3e59d
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-176.xml.gz"}
calculator_parameters:
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unique_id: 90d7dd143735c0cef6cd9ad3a166f2dd
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-177.xml.gz"}
calculator_parameters:
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unique_id: 59d97f5d2628c7e21ec7d133d113e1ce
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-178.xml.gz"}
calculator_parameters:
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unique_id: bcd988ac890f096515eaa21b138fb4bf
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-179.xml.gz"}
calculator_parameters:
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unique_id: 82fd4e603451311bc97553d4fd0632a0
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-18.xml.gz"}
calculator_parameters:
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unique_id: 3dee8c278ddbeac370b3d230d102331a
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-180.xml.gz"}
calculator_parameters:
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unique_id: 449ecd99469ef6943b7808dbb5621d61
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-181.xml.gz"}
calculator_parameters:
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unique_id: 5c3cf431a079b3ea2db711bd176b759a
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-182.xml.gz"}
calculator_parameters:
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unique_id: aea0b09eaf4d494bb70e542262b98888
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-183.xml.gz"}
calculator_parameters:
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unique_id: 5085ce9e8a5f128afb2af5a281a24a3c
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-184.xml.gz"}
calculator_parameters:
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unique_id: f7823af61def76dbac397423dcb30bbe
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-185.xml.gz"}
calculator_parameters:
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unique_id: 20a43ef948ea0f9568dc6c080e7dcd14
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-186.xml.gz"}
calculator_parameters:
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unique_id: e741b40cff1643e9c8f00b69ac74c548
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-187.xml.gz"}
calculator_parameters:
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unique_id: c3d71291b849ca6556d79625fe0b01d8
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-188.xml.gz"}
calculator_parameters:
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unique_id: d3a651a762a572fb995b187ff0efd43b
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-189.xml.gz"}
calculator_parameters:
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unique_id: 1a2afec7778f89b928005cb3d7d57a10
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-19.xml.gz"}
calculator_parameters:
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unique_id: fa4759a0f93436a8cf793c0bc781099e
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-190.xml.gz"}
calculator_parameters:
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unique_id: 3f5db9d0352c34b997970b9297690ac7
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-191.xml.gz"}
calculator_parameters:
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unique_id: d863c944c51df4836a3e1d5307e3ba80
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-192.xml.gz"}
calculator_parameters:
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unique_id: bcc24602031e39c6a442282e29bda4c4
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-193.xml.gz"}
calculator_parameters:
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unique_id: 6cc26016bd38e763afc8204475b6322f
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-194.xml.gz"}
calculator_parameters:
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unique_id: d2095a7b211874002ed179e2a72157f8
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-195.xml.gz"}
calculator_parameters:
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unique_id: bf134d65cf26706255738d38f6ac78b8
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-196.xml.gz"}
calculator_parameters:
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unique_id: 20d057468271a36828b7958760ed8e73
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-197.xml.gz"}
calculator_parameters:
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unique_id: f612e11e0ce6373f949254effa291ba7
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-198.xml.gz"}
calculator_parameters:
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unique_id: 9992cce3a69e4db6c7cbad582c04ea67
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-199.xml.gz"}
calculator_parameters:
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unique_id: 37ba8f0c973e26e8ad5924f60249aee7
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-2.xml.gz"}
calculator_parameters:
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unique_id: c02ce26dea9f741f83ceda9b2629d3ee
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-20.xml.gz"}
calculator_parameters:
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unique_id: 3b2174742ea84ac0bacff43099bd10d1
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-200.xml.gz"}
calculator_parameters:
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unique_id: 2f8f3d23c43d8d9f728d4cb15e771da6
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-201.xml.gz"}
calculator_parameters:
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unique_id: 41ff189a69a9d4df91c8859782a21049
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-202.xml.gz"}
calculator_parameters:
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unique_id: c8f80df9b23e1323c5b037c5b3e48aa1
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-203.xml.gz"}
calculator_parameters:
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unique_id: 2343d1072aef8039f46fa827278bea03
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-204.xml.gz"}
calculator_parameters:
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unique_id: 2fae5f1328f990ba8827146d727db1ee
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-205.xml.gz"}
calculator_parameters:
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unique_id: 75334458554482c710882f11d70c6c01
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-206.xml.gz"}
calculator_parameters:
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unique_id: ee6f33eb3e371f43785ced48b86d7a7f
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-207.xml.gz"}
calculator_parameters:
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unique_id: a7d959880fe500938b5964fe26bd125f
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-208.xml.gz"}
calculator_parameters:
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unique_id: d5b6654506821767be2df5bc3be0ebeb
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-209.xml.gz"}
calculator_parameters:
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unique_id: aff620a37bb006844afd7a2675b444dc
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-21.xml.gz"}
calculator_parameters:
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unique_id: 516750c28e19d96f80dd745308e8a964
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-210.xml.gz"}
calculator_parameters:
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unique_id: 2be338a338b175a2a5a1471c2329dde5
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-211.xml.gz"}
calculator_parameters:
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unique_id: 6bd01535b2e392b6c66072ee42bdb95f
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-212.xml.gz"}
calculator_parameters:
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unique_id: 2f7a467f3f0d7b8a57b12789e4de03ea
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-213.xml.gz"}
calculator_parameters:
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unique_id: baf1cfe1a70db68611b87e53adba1557
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-214.xml.gz"}
calculator_parameters:
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unique_id: ce3a0b784d5dd6f2843ad1c49d6e30aa
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-215.xml.gz"}
calculator_parameters:
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unique_id: 7e6ec4f1eca51fc424bad692dd5806cb
username: x_magra
calculator: vasp
key_value_pairs: {"filename": "run_MAPI-SCAN-rescaled-md-structure-from-CX-216.xml.gz"}
calculator_parameters:
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