Tools for SRIM SR output
Project description
This library to treat output file from Stopping power calculation program of SRIM (http://www.srim.org/)
About this program
SRIM is one of the most famous program to simulate the atomic collision to various materials. This package supports the data format transfomation the output from SR.exe or SRModule in SRIM2013 to other modern formats, especially for JSON.
Install
pip install srim_srout
parser library and supporting script (cf. srim-srout-parse.py) are installed.
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
RUN
In order to translate the file from SR.exe (i.e. input.txt) to JSON format (output.json):
srim-srout-parse input.txt output.json
where, input.txt and output.json are following;
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
]
],
}
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