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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
    ]
  ],
}

Project details


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