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34 lines
2.3 KiB
Plaintext
34 lines
2.3 KiB
Plaintext
# test file of column data
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Step Temperature E_pair E_bond E_total Pressure Volume
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0 1.0019297 0 0 0.68645902 0.47826346 733.92473
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1000 1 -0.3541344 0 0.3310025 1.471929 788.80874
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2000 1 -0.40581755 0 0.27931935 1.3444013 815.07966
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3000 1 -0.53487842 0 0.15025847 1.5881028 838.85908
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4000 1 -0.56788721 0 0.11724969 1.5870075 867.65296
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5000 1 -0.49969634 0 0.18544056 1.3461368 897.39498
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6000 1 -0.46128743 0 0.22384946 1.2535238 916.0006
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7000 1 -0.44495472 0 0.24018217 1.2604379 923.45772
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8000 1 -0.43113095 0 0.25400595 1.3020687 922.74025
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# comment in middle of data
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9000 1 -0.37283611 0 0.31230079 1.0383053 926.35044
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10000 1 -0.41317676 0 0.27196014 1.0430468 923.77242
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11000 1 -0.39163654 0 0.29350036 1.1417985 924.17464
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12000 1 -0.40243311 0 0.28270378 1.1857218 926.0797
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13000 1 -0.39552697 0 0.28960993 1.0909948 930.73504
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14000 1 -0.38651967 0 0.29861723 1.019887 932.46408
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15000 1 -0.36137982 0 0.32375708 1.0862526 934.52524
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16000 1 -0.38895837 0 0.29617853 1.0782077 937.54986
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17000 1 -0.36593408 0 0.31920282 1.0433347 937.86368
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18000 1 -0.36862138 0 0.31651552 1.0541325 936.44677
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19000 1 -0.34653171 0 0.33860519 1.0383193 936.06753
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20000 1 -0.4198566 0 0.26528029 1.1931375 929.06482
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21000 1 -0.37716741 0 0.30796949 1.0620287 933.67326
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22000 1 -0.39545011 0 0.28968679 1.0645021 933.58553
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23000 1 -0.36365319 0 0.3214837 1.049493 933.6992
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24000 1 -0.35620009 0 0.3289368 1.0211735 935.87224
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25000 1 -0.39356635 0 0.29157055 0.99663982 935.394
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end of data
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