The formatted text form of the Stanjan thermo file carries the extension ".dat", and follows very closely the original format of the JANAF tables. The entropy and enthalpy of a species are given at a set of 60 temperatures. Each species requires 13 rows of data, formatted as follows: Line 1: Columns 1-8 (A8) Chemical species name Columns 9-18 (10X) Not used, typically contains date or reference Columns 19-28 (F10.5) Molal mass (g/mol) Columns 29-38 (F10.3) Heat of formation (kcal/mol) at 298.15 K Columns 39-40 (I2) Minimum T/100 range of validity Columns 41-48 (F8.3) Density parameter: 0 for gases, density for condensed species (g/cm^3) Columns 49-78: 6(I3,2A) 6 integer-character pairs giving atom numbers and names Columns 79-80 (I2) Maximum T/100 range of validity Lines 2 through 7: Columns 1-80: 10(F8.3) Entropy (cal/mol) at 200, 298.15, 300, 400, ... 6000 K Lines 8 through 13: Columns 1-80: 10(F8.3) Enthalpy (kcal/mol) at 200, 298.15, 300, 400, ... 6000 K An example for the CH species follows: CH 121286 13.00000 141.999 3 .000 1C 1H 0 0 0 0 50 40.959 43.717 43.760 45.768 47.335 48.626 49.730 50.703 51.581 52.389 53.142 53.848 54.513 55.143 55.741 56.310 56.854 57.374 57.872 58.349 58.808 59.250 59.675 60.086 60.481 60.864 61.233 61.591 61.937 62.272 62.597 62.913 63.219 63.516 63.806 64.087 64.361 64.628 64.888 65.141 65.389 65.631 65.867 66.098 66.324 66.545 66.762 66.974 67.182 67.387 67.588 67.786 67.980 68.171 68.360 68.545 68.728 68.909 69.087 69.264 -.678 .000 .013 .711 1.413 2.121 2.838 3.566 4.312 5.079 5.869 6.680 7.512 8.362 9.229 10.111 11.008 11.917 12.838 13.770 14.711 15.660 16.617 17.581 18.550 19.525 20.504 21.487 22.473 23.463 24.454 25.448 26.443 27.440 28.438 29.437 30.436 31.437 32.438 33.439 34.442 35.445 36.448 37.453 38.458 39.465 40.472 41.482 42.492 43.505 44.520 45.538 46.558 47.581 48.608 49.639 50.673 51.712 52.755 53.803 This format has some distinct disadvantages: 1. The use of tabulated data is inefficient, relative to polynomial fits. 2. The fixed format floating point data fields do not provide the maximum precision for the given field width. For instance, " .001" only gives three significant figures, whereas "1111.111" gives 8 significant figures. Fortunately, the Fortran read statements are not finicky about the actual format, and will read scientific notation numbers, so "1.111E-3" can be used to get three extra figures. 3. Since tabulated values are inherently limited to the temperature range 200 - 6000 K, data outside this range can not be represented or used. Most problems fall within this range, so this is not normally a severe limitation. On the other hand, since the file space is allocated for the entire range, data that could be used to increase precision over a narrower range is wasted on irrelevant temperatures. Of course, this format has the advantage of being almost identical to the original JANAF format, which is easier to enter and edit than polynomial fits.