srim sr输出工具
srim_srout的Python项目详细描述
此库处理停止功率计算程序的输出文件 srim的（http://www.srim.org/）
关于此程序
srim是最著名的模拟原子与各种材料碰撞的程序之一。 此包支持数据格式转换srim2013中sr.exe或srmodule的输出 其他现代格式，尤其是json格式。
安装
pip install srim_srout
安装了解析器库和支持脚本（cf.srim srout parse.py）。
C:\Users\aoki\work\srim_srout>srim-srout-parse -h usage: srim-srout-parse-script.py [-h] [--verbose] [input] [output] positional arguments: input input file to parse default is sys.stdin output JSON output stream default is sys.stdout optional arguments: -h, --help show this help message and exit --verbose, -v dump including raw input string data
运行
为了将文件从sr.exe（即input.txt）转换为json格式（output.json）：
srim-srout-parse input.txt output.json
其中，input.txt和output.json如下；
input.txt:
==================================================================
SRIM version ---> SRIM-2013.00
Calc. date ---> February 22, 2016
==================================================================
Disk File Name = SRIM Outputs\Hydrogen in 1_3 Propanediol.txt
Ion = Hydrogen [1] , Mass = 1.008 amu
Target Density = 1.0597E+00 g/cm3 = 1.0903E+23 atoms/cm3
======= Target Composition ========
Atom Atom Atomic Mass
Name Numb Percent Percent
---- ---- ------- -------
H 1 061.54 010.60
C 6 023.08 047.36
O 8 015.38 042.04
====================================
Bragg Correction = -5.43%
Stopping Units = MeV / (mg/cm2)
See bottom of Table for other Stopping units
Ion dE/dx dE/dx Projected Longitudinal Lateral
Energy Elec. Nuclear Range Straggling Straggling
-------------- ---------- ---------- ---------- ---------- ----------
10.00 keV 4.945E-01 8.762E-03 2247 A 544 A 576 A
11.00 keV 5.163E-01 8.188E-03 2416 A 559 A 599 A
12.00 keV 5.369E-01 7.692E-03 2579 A 573 A 620 A
:
(skip)
:
8.00 MeV 5.620E-02 3.285E-05 754.39 um 33.18 um 20.29 um
9.00 MeV 5.110E-02 2.954E-05 930.22 um 41.82 um 24.82 um
10.00 MeV 4.691E-02 2.686E-05 1.12 mm 50.28 um 29.77 um
-----------------------------------------------------------
Multiply Stopping by for Stopping Units
------------------- ------------------
1.0597E+01 eV / Angstrom
1.0597E+02 keV / micron
1.0597E+02 MeV / mm
1.0000E+00 keV / (ug/cm2)
1.0000E+00 MeV / (mg/cm2)
1.0000E+03 keV / (mg/cm2)
9.7192E+00 eV / (1E15 atoms/cm2)
4.3191E+00 L.S.S. reduced units
==================================================================
(a) 1984,1989,1992,1998,2008 by J.P. Biersack and J.F. Ziegler
output.json:
{
"filetype": "sr.exe"
"projectile_amu": 1.008,
"projectile_z": 1,
"projectile_name": "Hydrogen",
"density_mass": 1.0597,
"density_atom": 1.0903e+23,
"bragg_corr": -5.43,
"stopping_units": "MeV/(mg/cm2)",
"target_composition": [
[
"H",
1.0,
61.54,
10.6
],
[
"C",
6.0,
23.08,
47.36
],
[
"O",
8.0,
15.38,
42.04
]
],
"tbl_data": [
[
10.0,
0.4945,
0.008762,
2247.0,
544.0,
576.0
],
[
11.0,
0.5163,
0.008188,
2416.0,
559.0,
599.0
],
# (skip)
[
12.0,
0.5369,
0.007692,
2579.0,
573.0,
620.0
],
[
13.0,
0.5563,
0.00726,
2737.0,
585.0,
640.0
],
[
14.0,
0.5746,
0.006878,
2891.0,
596.0,
659.0
],
[
15.0,
0.592,
0.006539,
3041.0,
607.0,
676.0
],
[
16.0,
0.6085,
0.006235,
3188.0,
616.0,
692.0
],
[
17.0,
0.6241,
0.005961,
3331.0,
625.0,
707.0
],
[
18.0,
0.639,
0.005712,
3472.0,
633.0,
722.0
],
[
20.0,
0.6666,
0.005279,
3745.0,
649.0,
749.0
],
[
22.5,
0.6976,
0.004829,
4074.0,
666.0,
779.0
],
[
25.0,
0.7251,
0.004456,
4391.0,
681.0,
806.0
],
[
27.5,
0.7495,
0.004142,
4698.0,
694.0,
831.0
],
[
30.0,
0.7713,
0.003873,
4997.0,
706.0,
854.0
],
[
32.5,
0.7907,
0.00364,
5289.0,
717.0,
875.0
],
[
35.0,
0.808,
0.003436,
5575.0,
728.0,
895.0
],
[
37.5,
0.8233,
0.003255,
5856.0,
737.0,
913.0
],
[
40.0,
0.8369,
0.003094,
6133.0,
746.0,
931.0
],
[
45.0,
0.8595,
0.002819,
6676.0,
764.0,
964.0
],
[
50.0,
0.8766,
0.002593,
7208.0,
780.0,
994.0
],
[
55.0,
0.8892,
0.002403,
7732.0,
795.0,
1022.0
],
[
60.0,
0.8979,
0.002241,
8251.0,
809.0,
1048.0
],
[
65.0,
0.9031,
0.002101,
8766.0,
822.0,
1073.0
],
[
70.0,
0.9054,
0.001979,
9280.0,
834.0,
1097.0
],
[
80.0,
0.903,
0.001775,
10300.0,
863.0,
1142.0
],
[
90.0,
0.8934,
0.001613,
11299.999999999998,
891.0,
1185.0
],
[
100.0,
0.8787,
0.001479,
12400.0,
918.0,
1227.0
],
[
110.0,
0.8608,
0.001368,
13500.0,
945.0,
1267.0
],
[
120.0,
0.8407,
0.001273,
14600.0,
971.0,
1308.0
],
[
130.0,
0.8196,
0.001191,
15700.0,
998.0,
1348.0
],
[
140.0,
0.7981,
0.00112,
16900.0,
1025.0,
1388.0
],
[
150.0,
0.7766,
0.001057,
18100.0,
1052.0,
1428.0
],
[
160.0,
0.7554,
0.001002,
19300.0,
1079.0,
1469.0
],
[
170.0,
0.7349,
0.0009524,
20500.0,
1108.0,
1511.0
],
[
180.0,
0.715,
0.0009079,
21800.0,
1136.0,
1553.0
],
[
200.0,
0.6777,
0.000831,
24500.0,
1225.0,
1641.0
],
[
225.0,
0.6357,
0.0007524,
28100.0,
1359.0,
1755.0
],
[
250.0,
0.5985,
0.0006883,
31900.0,
1495.0,
1876.0
],
[
275.0,
0.5657,
0.0006348,
35900.0,
1634.0,
2003.0
],
[
300.0,
0.5367,
0.0005896,
40199.99999999999,
1777.0,
2138.0
],
[
325.0,
0.5109,
0.0005507,
44700.0,
1922.0,
2279.0
],
[
350.0,
0.4878,
0.0005169,
49400.00000000001,
2071.0,
2428.0
],
[
375.0,
0.4671,
0.0004873,
54300.0,
2223.0,
2583.0
],
[
400.0,
0.4484,
0.0004611,
59400.00000000001,
2378.0,
2746.0
],
[
450.0,
0.416,
0.0004167,
70300.0,
2906.0,
3091.0
],
[
500.0,
0.3888,
0.0003806,
82000.0,
3418.0,
3462.0
],
[
550.0,
0.3656,
0.0003505,
94500.0,
3922.0,
3857.0
],
[
600.0,
0.3457,
0.0003251,
107700.0,
4424.0,
4276.0
],
[
650.0,
0.3284,
0.0003034,
121700.0,
4926.0,
4717.0
],
[
700.0,
0.3132,
0.0002845,
136400.0,
5429.0,
5179.0
],
[
800.0,
0.2878,
0.0002533,
167700.0,
7160.0,
6163.0
],
[
900.0,
0.2676,
0.0002286,
201600.0,
8771.0,
7219.0
],
[
1000.0,
0.2513,
0.0002085,
237900.0,
10300.0,
8340.0
],
[
1100.0,
0.2416,
0.0001918,
276100.0,
11800.0,
9509.0
],
[
1200.0,
0.2323,
0.0001777,
315800.0,
13200.0,
10700.0
],
[
1300.0,
0.2214,
0.0001657,
357299.99999999994,
14700.0,
12000.0
],
[
1400.0,
0.2115,
0.0001552,
400800.0,
16100.000000000002,
13200.0
],
[
1500.0,
0.2025,
0.0001461,
446300.0,
17500.0,
14600.0
],
[
1600.0,
0.1942,
0.000138,
493700.0,
18900.0,
16000.0
],
[
1700.0,
0.1864,
0.0001308,
543200.0,
20400.0,
17400.0
],
[
1800.0,
0.1792,
0.0001244,
594700.0,
21900.0,
18900.0
],
[
2000.0,
0.1662,
0.0001133,
703900.0,
27200.000000000004,
22000.0
],
[
2250.0,
0.1523,
0.0001021,
851900.0,
34800.0,
26100.0
],
[
2500.0,
0.1406,
9.298e-05,
1012800.0,
42100.0,
30600.0
],
[
2750.0,
0.1307,
8.543e-05,
1186500.0,
49200.0,
35300.0
],
[
3000.0,
0.1222,
7.907e-05,
1372700.0,
56400.0,
40400.0
],
[
3250.0,
0.1149,
7.363e-05,
1571399.9999999998,
63600.0,
45800.0
],
[
3500.0,
0.1084,
6.893e-05,
1782400.0,
70900.0,
51500.0
],
[
3750.0,
0.1027,
6.481e-05,
2005500.0,
78300.0,
57500.0
],
[
4000.0,
0.09766,
6.118e-05,
2240600.0,
85800.0,
63800.0
],
[
4500.0,
0.089,
5.507e-05,
2745899.9999999995,
112899.99999999999,
77300.0
],
[
5000.0,
0.08188,
5.011e-05,
3297700.0,
138700.0,
91900.0
],
[
5500.0,
0.0759,
4.601e-05,
3895200.0,
163900.0,
107700.0
],
[
6000.0,
0.07081,
4.255e-05,
4537700.0,
188900.0,
124600.00000000001
],
[
6500.0,
0.06642,
3.96e-05,
5224600.0,
214200.00000000003,
142500.0
],
[
7000.0,
0.06258,
3.705e-05,
5955200.0,
239600.0,
161600.0
],
[
8000.0,
0.0562,
3.285e-05,
7543900.0,
331800.0,
202900.0
],
[
9000.0,
0.0511,
2.954e-05,
9302200.0,
418200.0,
248200.0
],
[
10000.0,
0.04691,
2.686e-05,
11200000.000000002,
502800.0,
297700.0
]
],
}
欢迎加入QQ群-->： 979659372
