# Execution Report ## Summary | Item | Value | |---|---| | Workdir | D:\git\tkProg\tkprog_COE\crystal\tkcif | | Started at | 2026-05-29T10:58:46+09:00 | | Finished at | 2026-05-29T10:58:48+09:00 | | Return code | 0 | | Timed out | False | | Files before | 10 | | Files after | 10 | | Created files | 0 | | Modified files | 0 | | Deleted files | 0 | ## Command ```bash python cif_inf_reader.py .\cif\InGaZnO4.cif ``` ## Files before execution ```text . ├── InGaZnO4.cif ├── SnSb2Se4_Pnnm.cif ├── SrTiO3.cif ├── cif_inf_reader.py ├── README_tkcif_reader.md ├── report.html ├── report.md ├── test_make_report.bat ├── tkcif_normalize.py ├── tkcif_reader.py ``` ### Files before execution links | File | Size | Modified time | |---|---:|---| | [cif/InGaZnO4.cif]() | 3.77 KB | 2025-11-08T16:08:34+09:00 | | [cif/SnSb2Se4_Pnnm.cif]() | 4.45 KB | 2025-10-16T14:01:03+09:00 | | [cif/SrTiO3.cif]() | 1.47 KB | 2023-10-24T13:47:17+09:00 | | [cif_inf_reader.py]() | 5.44 KB | 2026-05-29T10:38:39+09:00 | | [README_tkcif_reader.md]() | 2.21 KB | 2026-05-29T10:38:39+09:00 | | [report.html]() | 12.77 KB | 2026-05-29T10:57:26+09:00 | | [report.md]() | 2.30 KB | 2026-05-29T10:57:26+09:00 | | [test_make_report.bat]() | 444 B | 2026-05-29T10:58:45+09:00 | | [tkcif_normalize.py]() | 21.92 KB | 2026-05-29T10:38:39+09:00 | | [tkcif_reader.py]() | 23.74 KB | 2026-05-29T10:38:39+09:00 | ## File changes ### Created files 該当なし。 ### Modified files 該当なし。 ### Deleted files 該当なし。 ## Generated / Modified images 新規・更新された画像ファイルはありません。 ## Warning / Error scan 新規・更新された log/out/txt および stderr から、指定パターンに一致する行は見つかりませんでした。 ## stdout ```text ======================================================================== CIF reader ======================================================================== Path : cif\InGaZnO4.cif Backend : pymatgen Normalized : False ======================================================================== pymatgen Structure ======================================================================== Formula : Zn12 In12 Ga12 O48 Reduced formula : ZnInGaO4 Number of sites : 84 Volume [A^3] : 1105.241046 Density [g/cm^3] : 5.660183438 Lattice parameters a, b, c [A] : 10.22196917, 10.21030696, 10.58969958 alpha, beta, gamma [deg]: 90, 90, 90 Space group estimated by pymatgen/spglib Symbol : P1 Number : 1 Crystal system : triclinic Atomic sites # species frac_x frac_y frac_z 0 Zn 0.8634380 0.2165640 0.9400100 1 Zn 0.3855460 0.2164570 0.8597390 2 Zn 0.7907950 0.7603760 0.1286740 3 Zn 0.1143970 0.2959820 0.1690060 4 Zn 0.9625590 0.0194680 0.1914730 5 Zn 0.3838450 0.3038360 0.5240290 6 Zn 0.1776920 0.7558950 0.0589380 7 Zn 0.2629000 0.5214740 0.1758930 8 Zn 0.3148590 0.8309590 0.3617150 9 Zn 0.3198510 0.6065260 0.5475630 10 Zn 0.0818590 0.0640240 0.4417750 11 Zn 0.1232410 0.1558520 0.7315840 12 In 0.2078690 0.4916520 0.8045240 13 In 0.9506760 0.5256880 0.9885850 14 In 0.6332870 0.0318950 0.9593220 15 In 0.3188600 0.8414630 0.7964450 16 In 0.5973090 0.0356370 0.3140410 17 In 0.6005510 0.3479220 0.7550230 18 In 0.3197300 0.0245420 0.0857260 19 In 0.8209590 0.3085420 0.2355590 20 In 0.7801230 0.0615670 0.6727410 21 In 0.7225700 0.7088240 0.8285310 22 In 0.9603140 0.9117160 0.9087150 23 In 0.0569390 0.6763210 0.3246960 24 Ga 0.5604180 0.5822800 0.3167550 25 Ga 0.5836910 0.7904170 0.5406780 26 Ga 0.3647910 0.0280150 0.6004770 27 Ga 0.8353360 0.8748180 0.4120080 28 Ga 0.0851630 0.3739150 0.4474120 29 Ga 0.4984500 0.7813620 0.0939950 30 Ga 0.4716640 0.2794110 0.2007610 31 Ga 0.5956720 0.4685310 0.0271950 32 Ga 0.6560760 0.3153370 0.4680810 33 Ga 0.8050370 0.5925860 0.4948920 34 Ga 0.0728860 0.8431960 0.6075010 35 Ga 0.9296770 0.3343840 0.6606700 36 O 0.2905220 0.2273100 0.1418890 37 O 0.9273270 0.7217330 0.4771220 38 O 0.5325650 0.1024660 0.1299120 39 O 0.6261260 0.8221130 0.9884550 40 O 0.4932510 0.2313730 0.3739340 41 O 0.7010030 0.4583110 0.3772200 42 O 0.2776190 0.0139610 0.4403140 43 O 0.6426110 0.3396680 0.1298700 44 O 0.7102050 0.5109960 0.9004970 45 O 0.0151240 0.2178230 0.2955380 46 O 0.1158150 0.9488370 0.0635480 47 O 0.2258540 0.7113070 0.2285820 48 O 0.4313040 0.4609130 0.2353080 49 O 0.0886630 0.8203150 0.7802600 50 O 0.9431290 0.1670020 0.7805960 51 O 0.4087180 0.0336140 0.9021390 52 O 0.8896260 0.7303880 0.9570560 53 O 0.8506950 0.0583450 0.0396220 54 O 0.7581930 0.2711510 0.6225500 55 O 0.3104900 0.6375560 0.7357370 56 O 0.2136180 0.9884040 0.6826090 57 O 0.9406430 0.9688900 0.5632590 58 O 0.3440600 0.8073430 0.9940760 59 O 0.4722270 0.3905210 0.9069800 60 O 0.2204940 0.2937080 0.8216360 61 O 0.0023190 0.9099720 0.3256520 62 O 0.0618610 0.2333120 0.5609210 63 O 0.6871530 0.7099780 0.3965450 64 O 0.9130090 0.6254480 0.1762530 65 O 0.7682680 0.9183610 0.8047920 66 O 0.7428800 0.1858380 0.3537940 67 O 0.2388500 0.4299700 0.5429180 68 O 0.9266230 0.4498910 0.5205390 69 O 0.5751510 0.6261090 0.1400530 70 O 0.1856830 0.7477380 0.4954090 71 O 0.4468730 0.6848320 0.4368990 72 O 0.4605860 0.8779370 0.6500390 73 O 0.4359100 0.1878900 0.6621970 74 O 0.1198110 0.4632030 0.2992170 75 O 0.4426730 0.9000780 0.2315730 76 O 0.6707150 0.9560200 0.5062460 77 O 0.9911520 0.4581160 0.7931030 78 O 0.1626370 0.5602490 0.0046650 79 O 0.6831210 0.1823940 0.8465820 80 O 0.5398310 0.4123260 0.5820750 81 O 0.7506030 0.9035280 0.2523770 82 O 0.9388320 0.3415070 0.0740680 83 O 0.7009930 0.6741160 0.6333100 ``` ## stderr ```text (no output) ``` ## Environment | Item | Value | |---|---| | Python | 3.12.10 | | Platform | Windows-11-10.0.26200-SP0 | | Script | make_run_report.py |