| Item | Value |
|---|---|
| Workdir | D:_COE |
| 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 |
python cif_inf_reader.py .\cif\InGaZnO4.cif.
├── 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| 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 |
該当なし。
該当なし。
該当なし。
新規・更新された画像ファイルはありません。
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。
========================================================================
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(no output)| Item | Value |
|---|---|
| Python | 3.12.10 |
| Platform | Windows-11-10.0.26200-SP0 |
| Script | make_run_report.py |