Datasets:
Formats:
parquet
Size:
1K - 10K
ArXiv:
Tags:
materials-science
crystal-structures
graph-ml
inverse-design
mobility
density-functional-theory
License:
| round_id,round_index,batch_id,material_id,channel,direction,carrier,mobility_cm2_vs,log10_mobility,E1_eV,C2D_J_m2,E1_fit_R2,C2D_fit_R2,rel_e1_sigma,rel_c2d_sigma,min_fit_r2,mass_status,mass_valid_for_mobility,mass_fit_R2,mass_rejection_reasons,mass_dynamic_band_switch,n_points,validation_status,validation_reason,trusted,rejection_reasons,relaxed_cif_path,relaxed_contcar_path,input_poscar_path,workdir,structure_hash | |
| loop_08,8,combined_rank01_20,loop08_rank11__eval_gen_loop_08_part004__sample_0498,electron_x,x,electron,1175.9919530728448,3.070404350015616,-1.2287236537093746,30.535529342940826,0.9757658266495767,0.9985686286410541,0.05956516168987288,0.015682863955535115,0.9757658266495767,accepted,True,0.9999980757409817,,False,9,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank11__eval_gen_loop_08_part004__sample_0498.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank11__eval_gen_loop_08_part004__sample_0498/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank11__eval_gen_loop_08_part004__sample_0498/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank11__eval_gen_loop_08_part004__sample_0498/mobility_calculation,d54e1507e2384bd30be589c8fe7fcb2edb51465f | |
| loop_08,8,combined_rank01_20,loop08_rank11__eval_gen_loop_08_part004__sample_0498,electron_y,y,electron,371.48793991851454,2.569944719275982,-2.127111295563407,23.231907754706352,0.9983070342847417,0.9975013065835635,0.015564784826195598,0.020625748099347627,0.9975013065835635,accepted,True,0.9999990023154466,,False,9,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank11__eval_gen_loop_08_part004__sample_0498.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank11__eval_gen_loop_08_part004__sample_0498/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank11__eval_gen_loop_08_part004__sample_0498/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank11__eval_gen_loop_08_part004__sample_0498/mobility_calculation,d54e1507e2384bd30be589c8fe7fcb2edb51465f | |
| loop_08,8,combined_rank01_20,loop08_rank15__eval_gen_loop_08_part011__sample_0925,hole_x,x,hole,211.6492564607304,2.325616747104529,-5.96769561357035,47.69052558733436,0.9985385992903393,0.9989747482594522,0.014459496884943647,0.01308645004695425,0.9985385992903393,accepted,True,0.9999948411580303,,False,9,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank15__eval_gen_loop_08_part011__sample_0925.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank15__eval_gen_loop_08_part011__sample_0925/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank15__eval_gen_loop_08_part011__sample_0925/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank15__eval_gen_loop_08_part011__sample_0925/mobility_calculation,bf6e805d69cc3df1be46109499852ef8cafaa5eb | |
| loop_08,8,combined_rank01_20,loop08_rank17__eval_gen_loop_08_part002__sample_0018,hole_x,x,hole,223.31280446248908,2.348913625659759,-6.848397375788777,49.03541278350712,0.9986389359478804,0.9991737271133501,0.013953593947417095,0.011741021079052947,0.9986389359478804,accepted,True,0.9999925218326082,,False,9,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank17__eval_gen_loop_08_part002__sample_0018.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank17__eval_gen_loop_08_part002__sample_0018/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank17__eval_gen_loop_08_part002__sample_0018/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank17__eval_gen_loop_08_part002__sample_0018/mobility_calculation,00b5210f83a98b6130500d4c959be6ceffd20136 | |
| loop_08,8,combined_rank01_20,loop08_rank17__eval_gen_loop_08_part002__sample_0018,hole_y,y,hole,6054.627104619269,3.782087400758494,-0.8275435934080427,83.89879622919901,0.9766951399447771,0.9983618155883475,0.08918327260138824,0.02873287308875553,0.9766951399447771,accepted,True,0.9999618819311322,,False,5,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank17__eval_gen_loop_08_part002__sample_0018.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank17__eval_gen_loop_08_part002__sample_0018/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank17__eval_gen_loop_08_part002__sample_0018/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank17__eval_gen_loop_08_part002__sample_0018/mobility_calculation,00b5210f83a98b6130500d4c959be6ceffd20136 | |
| loop_08,8,combined_rank01_20,loop08_rank18__eval_gen_loop_08_part009__sample_0121,hole_x,x,hole,329.6972741240173,2.5181153564916774,-6.049903457822257,47.65931575015612,0.998044478618692,0.9997901110884324,0.025556167696022376,0.01024566100933452,0.998044478618692,accepted,True,0.9999948822123985,,False,5,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank18__eval_gen_loop_08_part009__sample_0121.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank18__eval_gen_loop_08_part009__sample_0121/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank18__eval_gen_loop_08_part009__sample_0121/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank18__eval_gen_loop_08_part009__sample_0121/mobility_calculation,c3eec6e50d749c0544768d6d7d4ed6c627e58663 | |
| loop_08,8,combined_rank01_20,loop08_rank20__eval_gen_loop_08_part002__sample_0318,electron_x,x,electron,150.39986558985967,2.177247448133228,2.3274765731546077,56.86138067005603,0.9243364131531447,0.9996275838721065,0.16518391104780908,0.013707810082941871,0.9243364131531447,accepted,True,0.9999952829469148,,False,5,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank20__eval_gen_loop_08_part002__sample_0318.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank20__eval_gen_loop_08_part002__sample_0318/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank20__eval_gen_loop_08_part002__sample_0318/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank20__eval_gen_loop_08_part002__sample_0318/mobility_calculation,78f8f816478b9d08a452a24f2ed7af038469f976 | |
| loop_08,8,combined_rank01_20,loop08_rank20__eval_gen_loop_08_part002__sample_0318,electron_y,y,electron,107.01564565590672,2.0294472760525117,-5.50057249353684,89.06212392040327,0.9436285598751593,0.9990933416426131,0.09238044402901494,0.01229843342696944,0.9436285598751593,accepted,True,0.9915660149239758,,False,9,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank20__eval_gen_loop_08_part002__sample_0318.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank20__eval_gen_loop_08_part002__sample_0318/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank20__eval_gen_loop_08_part002__sample_0318/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank20__eval_gen_loop_08_part002__sample_0318/mobility_calculation,78f8f816478b9d08a452a24f2ed7af038469f976 | |
| loop_08,8,combined_rank01_20,loop08_rank20__eval_gen_loop_08_part002__sample_0318,hole_x,x,hole,590.7884357859813,2.7714319857538436,-3.8288134629911594,56.86138067005603,0.9873097657062421,0.9996275838721065,0.06545567575952058,0.013707810082941871,0.9873097657062421,accepted,True,0.999997861897966,,False,5,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank20__eval_gen_loop_08_part002__sample_0318.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank20__eval_gen_loop_08_part002__sample_0318/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank20__eval_gen_loop_08_part002__sample_0318/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank20__eval_gen_loop_08_part002__sample_0318/mobility_calculation,78f8f816478b9d08a452a24f2ed7af038469f976 | |
| loop_08,8,combined_rank01_20,loop08_rank22__eval_gen_loop_08_part001__sample_0945,hole_x,x,hole,225.69742529144824,2.353526604766311,-6.574067306349966,49.43693959848761,0.9979472124246599,0.9996367546727667,0.026185301843479687,0.013495159351522628,0.9979472124246599,accepted,True,0.9986521337756962,,False,5,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank22__eval_gen_loop_08_part001__sample_0945.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank22__eval_gen_loop_08_part001__sample_0945/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank22__eval_gen_loop_08_part001__sample_0945/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank22__eval_gen_loop_08_part001__sample_0945/mobility_calculation,d7fb2ea1ef0c4eab10e580bcb33e73079ab4c6c0 | |
| loop_08,8,combined_rank01_20,loop08_rank23__eval_gen_loop_08_part121__sample_0179,electron_y,y,electron,19754.389444059172,4.295663611330871,0.9846742627915147,90.6051306675874,0.9873528057358338,0.9999994936727055,0.06534315412068134,0.0005086752960518044,0.9873528057358338,accepted,True,0.9999942695386712,,False,5,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank23__eval_gen_loop_08_part121__sample_0179.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank23__eval_gen_loop_08_part121__sample_0179/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank23__eval_gen_loop_08_part121__sample_0179/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank23__eval_gen_loop_08_part121__sample_0179/mobility_calculation,d1bd83cda73196218f1bf0d2352fe5bbf01fbf12 | |
| loop_08,8,combined_rank01_20,loop08_rank23__eval_gen_loop_08_part121__sample_0179,hole_y,y,hole,1626.5292999095414,3.2112618909651967,-0.32986573720030904,90.6051306675874,0.9867455517082432,0.9999994936727055,0.0669138935230461,0.0005086752960518044,0.9867455517082432,accepted,True,0.9999996712004823,,False,5,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank23__eval_gen_loop_08_part121__sample_0179.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank23__eval_gen_loop_08_part121__sample_0179/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank23__eval_gen_loop_08_part121__sample_0179/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank23__eval_gen_loop_08_part121__sample_0179/mobility_calculation,d1bd83cda73196218f1bf0d2352fe5bbf01fbf12 | |
| loop_08,8,combined_rank01_20,loop08_rank24__eval_gen_loop_08_part129__sample_0653,electron_y,y,electron,1295.901790872035,3.112572090038839,-0.7206986263859296,18.18710577621935,0.9396707513208877,0.9969906758282987,0.09576956289067273,0.022436949619786362,0.9396707513208877,accepted,True,0.9999995389674864,,False,9,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank24__eval_gen_loop_08_part129__sample_0653.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank24__eval_gen_loop_08_part129__sample_0653/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank24__eval_gen_loop_08_part129__sample_0653/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank24__eval_gen_loop_08_part129__sample_0653/mobility_calculation,d6de8246769160c82203d514a177accbe841e9d8 | |
| loop_08,8,combined_rank01_20,loop08_rank24__eval_gen_loop_08_part129__sample_0653,hole_x,x,hole,499.57267503727627,2.698598675888911,-0.653182920841803,27.31559320437082,0.9885493061244608,0.9932854520067469,0.040678720402860746,0.033684601442965555,0.9885493061244608,accepted,True,0.9999999907571735,,False,9,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank24__eval_gen_loop_08_part129__sample_0653.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank24__eval_gen_loop_08_part129__sample_0653/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank24__eval_gen_loop_08_part129__sample_0653/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank24__eval_gen_loop_08_part129__sample_0653/mobility_calculation,d6de8246769160c82203d514a177accbe841e9d8 | |
| loop_08,8,combined_rank01_20,loop08_rank25__eval_gen_loop_08_part007__sample_0685,hole_x,x,hole,316.95988300296074,2.5010042978866163,-4.665159410751393,41.677769416477446,0.9965374833083551,0.9997781245501405,0.03403208496720732,0.0106147602749228,0.9965374833083551,accepted,True,0.9999946660517632,,False,5,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank25__eval_gen_loop_08_part007__sample_0685.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank25__eval_gen_loop_08_part007__sample_0685/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank25__eval_gen_loop_08_part007__sample_0685/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank25__eval_gen_loop_08_part007__sample_0685/mobility_calculation,67ce275c6fe4c1287497df557bb873b378106ee9 | |
| loop_08,8,combined_rank01_20,loop08_rank27__eval_gen_loop_08_part002__sample_0282,hole_x,x,hole,195.7667358837905,2.2917388996765533,-6.058089597348396,46.90905201573848,0.9986668313333749,0.9991854347993133,0.021094616423442434,0.021332619180063697,0.9986668313333749,accepted,True,0.9999950360480463,,False,5,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank27__eval_gen_loop_08_part002__sample_0282.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank27__eval_gen_loop_08_part002__sample_0282/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank27__eval_gen_loop_08_part002__sample_0282/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank27__eval_gen_loop_08_part002__sample_0282/mobility_calculation,9511f5384133a7fe98033f6799c16fd32dc7c39e | |
| loop_08,8,combined_rank01_20,loop08_rank27__eval_gen_loop_08_part002__sample_0282,hole_y,y,hole,4088.4949023829013,3.6115634606014284,-0.7165878143880575,83.7359537696975,0.9959669684311746,0.9959217007788106,0.036739459547990315,0.0454776787733922,0.9959217007788106,accepted,True,0.999969693285166,,False,5,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank27__eval_gen_loop_08_part002__sample_0282.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank27__eval_gen_loop_08_part002__sample_0282/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank27__eval_gen_loop_08_part002__sample_0282/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank27__eval_gen_loop_08_part002__sample_0282/mobility_calculation,9511f5384133a7fe98033f6799c16fd32dc7c39e | |
| loop_08,8,combined_rank01_20,loop08_rank29__eval_gen_loop_08_part051__sample_0270,electron_x,x,electron,212.85889449848358,2.3280918022740367,-3.2626766887620366,37.50237846442176,0.9920372987347903,0.9958961086821693,0.03386235831722196,0.03273975195482006,0.9920372987347903,accepted,True,0.999999363712198,,False,9,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank29__eval_gen_loop_08_part051__sample_0270.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank29__eval_gen_loop_08_part051__sample_0270/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank29__eval_gen_loop_08_part051__sample_0270/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank29__eval_gen_loop_08_part051__sample_0270/mobility_calculation,12f092b28569b4353482ad72de059e218282e0e7 | |
| loop_08,8,combined_rank01_20,loop08_rank29__eval_gen_loop_08_part051__sample_0270,electron_y,y,electron,239.49911383932297,2.379303910838665,-3.0684691625341554,37.28753369990664,0.9936109497456606,0.9978098396787581,0.030308254829617153,0.023840329745079963,0.9936109497456606,accepted,True,0.9999996631658754,,False,9,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank29__eval_gen_loop_08_part051__sample_0270.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank29__eval_gen_loop_08_part051__sample_0270/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank29__eval_gen_loop_08_part051__sample_0270/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank29__eval_gen_loop_08_part051__sample_0270/mobility_calculation,12f092b28569b4353482ad72de059e218282e0e7 | |
| loop_08,8,combined_rank01_20,loop08_rank30__eval_gen_loop_08_part001__sample_0927,hole_x,x,hole,288.4318935582977,2.460043281118632,-5.046124507370325,49.475973387683524,0.9960165438510087,0.9997356047246754,0.03651204784745146,0.011502844796759663,0.9960165438510087,accepted,True,0.9999950539035191,,False,5,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank30__eval_gen_loop_08_part001__sample_0927.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank30__eval_gen_loop_08_part001__sample_0927/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank30__eval_gen_loop_08_part001__sample_0927/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank30__eval_gen_loop_08_part001__sample_0927/mobility_calculation,fcc35a2f24e6b9077980bc7ad5f84fdca61fb482 | |
| loop_08,8,combined_rank01_20,loop08_rank31__eval_gen_loop_08_part244__sample_0843,hole_x,x,hole,298.2140276927516,2.4745280683801187,-5.093288122974063,65.78262469311258,0.9972702215376351,0.9998812457696373,0.030206236495424935,0.007706502502089556,0.9972702215376351,accepted,True,0.9999969023922612,,False,5,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank31__eval_gen_loop_08_part244__sample_0843.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank31__eval_gen_loop_08_part244__sample_0843/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank31__eval_gen_loop_08_part244__sample_0843/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank31__eval_gen_loop_08_part244__sample_0843/mobility_calculation,327f0f9d1949ffda0f989588486813fc784fc3da | |
| loop_08,8,combined_rank01_20,loop08_rank31__eval_gen_loop_08_part244__sample_0843,hole_y,y,hole,1053.8148672309817,3.022764321311006,-1.9180014391955365,97.87850419788535,0.9381553494472624,0.9991731310117538,0.09704307787206702,0.011797421534609605,0.9381553494472624,accepted,True,0.9999716486626744,,False,9,accepted,channel_within_validation_window,True,,/home/wkli/invdesmobility/runs/loop_09__closed_loop_round/01_trusted_feedback/trusted_relaxed_cif/loop08_rank31__eval_gen_loop_08_part244__sample_0843.cif,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank31__eval_gen_loop_08_part244__sample_0843/mobility_calculation/01_relax/CONTCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank31__eval_gen_loop_08_part244__sample_0843/POSCAR,/home/wkli/agent/loop05_bg0p2_split_20/combined_rank01_20/loop08_rank31__eval_gen_loop_08_part244__sample_0843/mobility_calculation,327f0f9d1949ffda0f989588486813fc784fc3da | |