H2O-md-1.cell 2.65 KB
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#   Step   Time [fs]       Ax [Angstrom]       Ay [Angstrom]       Az [Angstrom]       Bx [Angstrom]       By [Angstrom]       Bz [Angstrom]       Cx [Angstrom]       Cy [Angstrom]       Cz [Angstrom]      Volume [Angstrom^3]
       0       0.000        6.0000000000        0.0000000000        0.0000000000        0.0000000000        6.0000000000        0.0000000000        0.0000000000        0.0000000000        6.0000000000           216.0000000000
       1       0.500        5.9995865891       -0.0006884817       -0.0010127508       -0.0006884817        6.0022063627       -0.0015429583       -0.0010127508       -0.0015429583        6.0008306670           216.0944304520
       2       1.000        5.9991635661       -0.0013715242       -0.0020124634       -0.0013715223        6.0044280501       -0.0030858637       -0.0020124619       -0.0030858693        6.0016525349           216.1887100692
       3       1.500        5.9987354326       -0.0020507044       -0.0030038816       -0.0020506975        6.0066631407       -0.0046293928       -0.0030038779       -0.0046294135        6.0024678974           216.2830142465
       4       2.000        5.9983081311       -0.0027276709       -0.0039930111       -0.0027276548        6.0089096419       -0.0061742363       -0.0039930078       -0.0061742825        6.0032801692           216.3776082058
       5       2.500        5.9978882711       -0.0034040416       -0.0049866158       -0.0034040111        6.0111656733       -0.0077211182       -0.0049866223       -0.0077211991        6.0040935434           216.4728134845
       6       3.000        5.9974821459       -0.0040812622       -0.0059914363       -0.0040812103        6.0134296600       -0.0092707652       -0.0059914716       -0.0092708864        6.0049124772           216.5689609536
       7       3.500        5.9970947973       -0.0047604264       -0.0070132193       -0.0047603435        6.0157005634       -0.0108238027       -0.0070133129       -0.0108239647        6.0057410535           216.6663424164
       8       4.000        5.9967291987       -0.0054420965       -0.0080557344       -0.0054419694        6.0179781365       -0.0123805881       -0.0080559250       -0.0123807875        6.0065823171           216.7651664221
       9       4.500        5.9963856760       -0.0061261768       -0.0091200506       -0.0061259871        6.0202631442       -0.0139410237       -0.0091203831       -0.0139412562        6.0074377769           216.8655273092
      10       5.000        5.9960617905       -0.0068118798       -0.0102043036       -0.0068116027        6.0225574669       -0.0155044063       -0.0102048226       -0.0155046726        6.0083072343           216.9673985082