LAMMPS data file via write_data, version 3 Mar 2020, timestep = 0 3423 atoms 9 atom types 336 bonds 2 bond types 672 angles 3 angle types 0.0000000000000000e+00 6.3359999999999999e+01 xlo xhi 0.0000000000000000e+00 6.3979999999999997e+01 ylo yhi 0.0000000000000000e+00 1.0560000000000000e+01 zlo zhi Masses 1 15.9994 2 28.0855 3 1.00797 4 15.9994 5 15.9994 6 24.305 7 26.9815 8 15.9994 9 22.99 Pair Coeffs # lj/cut/coul/long 1 0.155416 3.16552 2 1.8402e-06 3.30196 3 0 0 4 0.155416 3.16552 5 0.155416 3.16552 6 9.03e-07 5.26433 7 1.3297e-06 4.27132 8 0.155416 3.16552 9 0.1301 2.35001 Bond Coeffs # harmonic 1 553.935 1 2 553.935 1 Angle Coeffs # harmonic 1 30 109.47 2 30 109.47 3 30 109.47 Atoms # full 1 1 1 -1.0500000000000000e+00 2.8035582539999999e+00 3.4458661600000001e-01 8.5593018749999992e+00 0 0 0 2 1 1 -1.0500000000000000e+00 1.4835582540000001e+00 2.6245861570000000e+00 8.5593018749999992e+00 0 0 0 3 1 1 -1.0500000000000000e+00 4.1235582539999998e+00 2.6245861570000000e+00 8.5593018749999992e+00 0 0 0 4 1 1 -1.0500000000000000e+00 1.6355825399999999e-01 4.9145866160000002e+00 8.5593018749999992e+00 0 0 0 5 1 1 -1.0500000000000000e+00 1.4835582540000001e+00 7.1945860210000001e+00 8.5593018749999992e+00 0 0 0 6 1 1 -1.0500000000000000e+00 4.1235582539999998e+00 7.1945860210000001e+00 8.5593018749999992e+00 0 0 0 7 1 2 2.1000000000000001e+00 2.8035582539999999e+00 1.8645868550000000e+00 8.0393015400000003e+00 0 0 0 8 1 2 2.1000000000000001e+00 1.6355825399999999e-01 3.3945863770000000e+00 8.0393015400000003e+00 0 0 0 9 1 2 2.1000000000000001e+00 1.6355825399999999e-01 6.4345865829999997e+00 8.0393015400000003e+00 0 0 0 10 1 2 2.1000000000000001e+00 2.8035582539999999e+00 7.9645866490000001e+00 8.0393015400000003e+00 0 0 0 11 1 3 4.2499999999999999e-01 1.0450585150000000e+00 3.4458661600000001e-01 6.7133017800000001e+00 0 0 0 12 1 4 -9.4999999999999996e-01 1.6355825399999999e-01 3.4458661600000001e-01 6.3393016639999997e+00 0 0 0 13 1 5 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6.3235584380000001e+00 3.2334586616000003e+01 4.2193018980000003e+00 0 0 0 1506 1 3 4.2499999999999999e-01 1.0722058206000000e+01 3.2334586616000003e+01 3.8453017830000000e+00 0 0 0 1507 1 5 -1.1808000000000001e+00 8.9635583590000003e+00 3.3854587127000002e+01 4.2193018980000003e+00 0 0 0 1508 1 1 -1.0500000000000000e+00 6.3235584380000001e+00 3.5384586104999997e+01 4.2193018980000003e+00 0 0 0 1513 1 2 2.1000000000000001e+00 8.9635583590000003e+00 3.3854587127000002e+01 2.5193017480000002e+00 0 0 0 1514 1 2 2.1000000000000001e+00 6.3235584380000001e+00 3.5384586104999997e+01 2.5193017480000002e+00 0 0 0 1517 1 1 -1.0500000000000000e+00 8.9635583590000003e+00 3.2334586616000003e+01 1.9993018250000001e+00 0 0 0 1518 1 1 -1.0500000000000000e+00 1.0283558359000001e+01 3.4624587210999998e+01 1.9993018250000001e+00 0 0 0 1519 1 1 -1.0500000000000000e+00 7.6435582020000004e+00 3.4624587210999998e+01 1.9993018250000001e+00 0 0 0 1524 1 1 -1.0500000000000000e+00 1.0723558254000000e+01 3.2334586616000003e+01 8.5593018749999992e+00 0 0 0 1525 1 1 -1.0500000000000000e+00 1.2043558254000001e+01 3.4614586021000001e+01 8.5593018749999992e+00 0 0 0 1526 1 1 -1.0500000000000000e+00 1.4683558253999999e+01 3.4614586021000001e+01 8.5593018749999992e+00 0 0 0 1529 1 2 2.1000000000000001e+00 1.0723558254000000e+01 3.3854586583000000e+01 8.0393015400000003e+00 0 0 0 1530 1 2 2.1000000000000001e+00 1.3363558254000001e+01 3.5384586648999999e+01 8.0393015400000003e+00 0 0 0 1535 1 3 4.2499999999999999e-01 1.4245058594000000e+01 3.2334586616000003e+01 6.7133017800000001e+00 0 0 0 1536 1 4 -9.4999999999999996e-01 1.3363558254000001e+01 3.2334586616000003e+01 6.3393016639999997e+00 0 0 0 1537 1 5 -1.1808000000000001e+00 1.0723558254000000e+01 3.3854587127000002e+01 6.3393016639999997e+00 0 0 0 1538 1 1 -1.0500000000000000e+00 1.3363558254000001e+01 3.5384586648999999e+01 6.3393016639999997e+00 0 0 0 1541 1 7 1.5750000000000000e+00 1.2483558149000000e+01 3.3854586583000000e+01 5.2793017820000001e+00 0 0 0 1542 1 7 1.5750000000000000e+00 1.5123558149000001e+01 3.5384586648999999e+01 5.2793017820000001e+00 0 0 0 1545 1 4 -9.4999999999999996e-01 1.1603558438000000e+01 3.2334586616000003e+01 4.2193018980000003e+00 0 0 0 1547 1 1 -1.0500000000000000e+00 1.4243558359000000e+01 3.3854587127000002e+01 4.2193018980000003e+00 0 0 0 1548 1 5 -1.1808000000000001e+00 1.1603558438000000e+01 3.5384586104999997e+01 4.2193018980000003e+00 0 0 0 1553 1 2 2.1000000000000001e+00 1.4243558359000000e+01 3.3854587127000002e+01 2.5193017480000002e+00 0 0 0 1554 1 2 2.1000000000000001e+00 1.1603558438000000e+01 3.5384586104999997e+01 2.5193017480000002e+00 0 0 0 1557 1 1 -1.0500000000000000e+00 1.4243558359000000e+01 3.2334586616000003e+01 1.9993018250000001e+00 0 0 0 1558 1 1 -1.0500000000000000e+00 1.5563558359000000e+01 3.4624587210999998e+01 1.9993018250000001e+00 0 0 0 1559 1 1 -1.0500000000000000e+00 1.2923558202000001e+01 3.4624587210999998e+01 1.9993018250000001e+00 0 0 0 1906 1 3 4.2499999999999999e-01 1.6205820600000001e-01 3.2334586616000003e+01 3.8453017830000000e+00 1 0 0 1921 1 1 -1.0500000000000000e+00 2.8035582539999999e+00 3.6904586616000003e+01 8.5593018749999992e+00 0 0 0 1922 1 1 -1.0500000000000000e+00 1.4835582540000001e+00 3.9184586156999998e+01 8.5593018749999992e+00 0 0 0 1923 1 1 -1.0500000000000000e+00 4.1235582539999998e+00 3.9184586156999998e+01 8.5593018749999992e+00 0 0 0 1927 1 2 2.1000000000000001e+00 2.8035582539999999e+00 3.8424586855000001e+01 8.0393015400000003e+00 0 0 0 1928 1 2 2.1000000000000001e+00 1.6355825399999999e-01 3.9954586376999998e+01 8.0393015400000003e+00 0 0 0 1931 1 3 4.2499999999999999e-01 1.0450585150000000e+00 3.6904586616000003e+01 6.7133017800000001e+00 0 0 0 1932 1 4 -9.4999999999999996e-01 1.6355825399999999e-01 3.6904586616000003e+01 6.3393016639999997e+00 0 0 0 1933 1 5 -1.1808000000000001e+00 2.8035582539999999e+00 3.8424586855000001e+01 6.3393016639999997e+00 0 0 0 1934 1 1 -1.0500000000000000e+00 1.6355825399999999e-01 3.9954586376999998e+01 6.3393016639999997e+00 0 0 0 1939 1 6 1.3597999999999999e+00 4.5635581490000003e+00 3.8424586855000001e+01 5.2793017820000001e+00 0 0 0 1940 1 7 1.5750000000000000e+00 1.9235581490000000e+00 3.9954586376999998e+01 5.2793017820000001e+00 0 0 0 1943 1 1 -1.0500000000000000e+00 1.0435584380000000e+00 3.8424586855000001e+01 4.2193018980000003e+00 0 0 0 1944 1 5 -1.1808000000000001e+00 3.6835583590000001e+00 3.9954586376999998e+01 4.2193018980000003e+00 0 0 0 1949 1 8 -1.0808000000000000e+00 3.6835583590000001e+00 3.6904586616000003e+01 4.2193018980000003e+00 0 0 0 1950 1 3 4.2499999999999999e-01 2.8020581770000001e+00 3.6904586616000003e+01 3.8453017830000000e+00 0 0 0 1951 1 2 2.1000000000000001e+00 1.0435584380000000e+00 3.8424586855000001e+01 2.5193017480000002e+00 0 0 0 1952 1 2 2.1000000000000001e+00 3.6835583590000001e+00 3.9954586376999998e+01 2.5193017480000002e+00 0 0 0 1955 1 1 -1.0500000000000000e+00 5.0035583590000003e+00 3.9194587210999998e+01 1.9993018250000001e+00 0 0 0 1956 1 1 -1.0500000000000000e+00 2.3635583590000002e+00 3.9194587210999998e+01 1.9993018250000001e+00 0 0 0 1960 1 1 -1.0500000000000000e+00 1.0435584380000000e+00 3.6904586616000003e+01 1.9993018250000001e+00 0 0 0 1961 1 1 -1.0500000000000000e+00 8.0835582539999997e+00 3.6904586616000003e+01 8.5593018749999992e+00 0 0 0 1962 1 1 -1.0500000000000000e+00 6.7635582540000003e+00 3.9184586156999998e+01 8.5593018749999992e+00 0 0 0 1963 1 1 -1.0500000000000000e+00 9.4035582540000000e+00 3.9184586156999998e+01 8.5593018749999992e+00 0 0 0 1967 1 2 2.1000000000000001e+00 8.0835582539999997e+00 3.8424586855000001e+01 8.0393015400000003e+00 0 0 0 1968 1 2 2.1000000000000001e+00 5.4435582540000000e+00 3.9954586376999998e+01 8.0393015400000003e+00 0 0 0 1971 1 3 4.2499999999999999e-01 6.3250585150000003e+00 3.6904586616000003e+01 6.7133017800000001e+00 0 0 0 1972 1 8 -1.0808000000000000e+00 5.4435582540000000e+00 3.6904586616000003e+01 6.3393016639999997e+00 0 0 0 1973 1 1 -1.0500000000000000e+00 8.0835582539999997e+00 3.8424586855000001e+01 6.3393016639999997e+00 0 0 0 1974 1 5 -1.1808000000000001e+00 5.4435582540000000e+00 3.9954586376999998e+01 6.3393016639999997e+00 0 0 0 1979 1 7 1.5750000000000000e+00 9.8435581489999997e+00 3.8424586855000001e+01 5.2793017820000001e+00 0 0 0 1980 1 7 1.5750000000000000e+00 7.2035581490000000e+00 3.9954586376999998e+01 5.2793017820000001e+00 0 0 0 1983 1 5 -1.1808000000000001e+00 6.3235584380000001e+00 3.8424586855000001e+01 4.2193018980000003e+00 0 0 0 1984 1 1 -1.0500000000000000e+00 8.9635583590000003e+00 3.9954586376999998e+01 4.2193018980000003e+00 0 0 0 1989 1 8 -1.0808000000000000e+00 8.9635583590000003e+00 3.6904586616000003e+01 4.2193018980000003e+00 0 0 0 1990 1 3 4.2499999999999999e-01 8.0820581770000004e+00 3.6904586616000003e+01 3.8453017830000000e+00 0 0 0 1991 1 2 2.1000000000000001e+00 6.3235584380000001e+00 3.8424586855000001e+01 2.5193017480000002e+00 0 0 0 1992 1 2 2.1000000000000001e+00 8.9635583590000003e+00 3.9954586376999998e+01 2.5193017480000002e+00 0 0 0 1995 1 1 -1.0500000000000000e+00 1.0283558359000001e+01 3.9194587210999998e+01 1.9993018250000001e+00 0 0 0 1996 1 1 -1.0500000000000000e+00 7.6435583590000000e+00 3.9194587210999998e+01 1.9993018250000001e+00 0 0 0 2000 1 1 -1.0500000000000000e+00 6.3235584380000001e+00 3.6904586616000003e+01 1.9993018250000001e+00 0 0 0 2001 1 1 -1.0500000000000000e+00 1.3363558254000001e+01 3.6904586616000003e+01 8.5593018749999992e+00 0 0 0 2002 1 1 -1.0500000000000000e+00 1.2043558254000001e+01 3.9184586156999998e+01 8.5593018749999992e+00 0 0 0 2003 1 1 -1.0500000000000000e+00 1.4683558253999999e+01 3.9184586156999998e+01 8.5593018749999992e+00 0 0 0 2007 1 2 2.1000000000000001e+00 1.3363558254000001e+01 3.8424586855000001e+01 8.0393015400000003e+00 0 0 0 2008 1 2 2.1000000000000001e+00 1.0723558254000000e+01 3.9954586376999998e+01 8.0393015400000003e+00 0 0 0 2011 1 3 4.2499999999999999e-01 1.1605058515000000e+01 3.6904586616000003e+01 6.7133017800000001e+00 0 0 0 2012 1 8 -1.0808000000000000e+00 1.0723558254000000e+01 3.6904586616000003e+01 6.3393016639999997e+00 0 0 0 2013 1 5 -1.1808000000000001e+00 1.3363558254000001e+01 3.8424586855000001e+01 6.3393016639999997e+00 0 0 0 2014 1 1 -1.0500000000000000e+00 1.0723558254000000e+01 3.9954586376999998e+01 6.3393016639999997e+00 0 0 0 2019 1 6 1.3597999999999999e+00 1.5123558149000001e+01 3.8424586855000001e+01 5.2793017820000001e+00 0 0 0 2020 1 7 1.5750000000000000e+00 1.2483558149000000e+01 3.9954586376999998e+01 5.2793017820000001e+00 0 0 0 2023 1 1 -1.0500000000000000e+00 1.1603558438000000e+01 3.8424586855000001e+01 4.2193018980000003e+00 0 0 0 2024 1 5 -1.1808000000000001e+00 1.4243558359000000e+01 3.9954586376999998e+01 4.2193018980000003e+00 0 0 0 2029 1 8 -1.0808000000000000e+00 1.4243558359000000e+01 3.6904586616000003e+01 4.2193018980000003e+00 0 0 0 2030 1 3 4.2499999999999999e-01 1.3362058177000000e+01 3.6904586616000003e+01 3.8453017830000000e+00 0 0 0 2031 1 2 2.1000000000000001e+00 1.1603558438000000e+01 3.8424586855000001e+01 2.5193017480000002e+00 0 0 0 2032 1 2 2.1000000000000001e+00 1.4243558359000000e+01 3.9954586376999998e+01 2.5193017480000002e+00 0 0 0 2035 1 1 -1.0500000000000000e+00 1.5563558359000000e+01 3.9194587210999998e+01 1.9993018250000001e+00 0 0 0 2036 1 1 -1.0500000000000000e+00 1.2923558358999999e+01 3.9194587210999998e+01 1.9993018250000001e+00 0 0 0 2040 1 1 -1.0500000000000000e+00 1.1603558438000000e+01 3.6904586616000003e+01 1.9993018250000001e+00 0 0 0 1924 1 1 -1.0500000000000000e+00 1.6355825399999999e-01 4.1474586616000003e+01 8.5593018749999992e+00 0 0 0 1925 1 1 -1.0500000000000000e+00 1.4835582540000001e+00 4.3754586021000001e+01 8.5593018749999992e+00 0 0 0 1926 1 1 -1.0500000000000000e+00 4.1235582539999998e+00 4.3754586021000001e+01 8.5593018749999992e+00 0 0 0 1929 1 2 2.1000000000000001e+00 1.6355825399999999e-01 4.2994586583000000e+01 8.0393015400000003e+00 0 0 0 1930 1 2 2.1000000000000001e+00 2.8035582539999999e+00 4.4524586649000000e+01 8.0393015400000003e+00 0 0 0 1935 1 3 4.2499999999999999e-01 3.6850585940000000e+00 4.1474586616000003e+01 6.7133017800000001e+00 0 0 0 1936 1 4 -9.4999999999999996e-01 2.8035582539999999e+00 4.1474586616000003e+01 6.3393016639999997e+00 0 0 0 1937 1 1 -1.0500000000000000e+00 1.6355825399999999e-01 4.2994587127000003e+01 6.3393016639999997e+00 0 0 0 1938 1 1 -1.0500000000000000e+00 2.8035582539999999e+00 4.4524586649000000e+01 6.3393016639999997e+00 0 0 0 1941 1 7 1.5750000000000000e+00 1.9235581490000000e+00 4.2994586583000000e+01 5.2793017820000001e+00 0 0 0 1942 1 7 1.5750000000000000e+00 4.5635581490000003e+00 4.4524586649000000e+01 5.2793017820000001e+00 0 0 0 1945 1 4 -9.4999999999999996e-01 1.0435584380000000e+00 4.1474586616000003e+01 4.2193018980000003e+00 0 0 0 1946 1 3 4.2499999999999999e-01 5.4420582059999996e+00 4.1474586616000003e+01 3.8453017830000000e+00 0 0 0 1947 1 1 -1.0500000000000000e+00 3.6835583590000001e+00 4.2994587127000003e+01 4.2193018980000003e+00 0 0 0 1948 1 1 -1.0500000000000000e+00 1.0435584380000000e+00 4.4524586104999997e+01 4.2193018980000003e+00 0 0 0 1953 1 2 2.1000000000000001e+00 3.6835583590000001e+00 4.2994587127000003e+01 2.5193017480000002e+00 0 0 0 1954 1 2 2.1000000000000001e+00 1.0435584380000000e+00 4.4524586104999997e+01 2.5193017480000002e+00 0 0 0 1957 1 1 -1.0500000000000000e+00 3.6835583590000001e+00 4.1474586616000003e+01 1.9993018250000001e+00 0 0 0 1958 1 1 -1.0500000000000000e+00 5.0035583590000003e+00 4.3764587210999998e+01 1.9993018250000001e+00 0 0 0 1959 1 1 -1.0500000000000000e+00 2.3635582020000001e+00 4.3764587210999998e+01 1.9993018250000001e+00 0 0 0 1964 1 1 -1.0500000000000000e+00 5.4435582540000000e+00 4.1474586616000003e+01 8.5593018749999992e+00 0 0 0 1965 1 1 -1.0500000000000000e+00 6.7635582540000003e+00 4.3754586021000001e+01 8.5593018749999992e+00 0 0 0 1966 1 1 -1.0500000000000000e+00 9.4035582540000000e+00 4.3754586021000001e+01 8.5593018749999992e+00 0 0 0 1969 1 2 2.1000000000000001e+00 5.4435582540000000e+00 4.2994586583000000e+01 8.0393015400000003e+00 0 0 0 1970 1 2 2.1000000000000001e+00 8.0835582539999997e+00 4.4524586649000000e+01 8.0393015400000003e+00 0 0 0 1975 1 3 4.2499999999999999e-01 8.9650585940000003e+00 4.1474586616000003e+01 6.7133017800000001e+00 0 0 0 1976 1 4 -9.4999999999999996e-01 8.0835582539999997e+00 4.1474586616000003e+01 6.3393016639999997e+00 0 0 0 1977 1 1 -1.0500000000000000e+00 5.4435582540000000e+00 4.2994587127000003e+01 6.3393016639999997e+00 0 0 0 1978 1 5 -1.1808000000000001e+00 8.0835582539999997e+00 4.4524586649000000e+01 6.3393016639999997e+00 0 0 0 1981 1 7 1.5750000000000000e+00 7.2035581490000000e+00 4.2994586583000000e+01 5.2793017820000001e+00 0 0 0 1982 1 6 1.3597999999999999e+00 9.8435581489999997e+00 4.4524586649000000e+01 5.2793017820000001e+00 0 0 0 1985 1 4 -9.4999999999999996e-01 6.3235584380000001e+00 4.1474586616000003e+01 4.2193018980000003e+00 0 0 0 1986 1 3 4.2499999999999999e-01 1.0722058206000000e+01 4.1474586616000003e+01 3.8453017830000000e+00 0 0 0 1987 1 5 -1.1808000000000001e+00 8.9635583590000003e+00 4.2994587127000003e+01 4.2193018980000003e+00 0 0 0 1988 1 1 -1.0500000000000000e+00 6.3235584380000001e+00 4.4524586104999997e+01 4.2193018980000003e+00 0 0 0 1993 1 2 2.1000000000000001e+00 8.9635583590000003e+00 4.2994587127000003e+01 2.5193017480000002e+00 0 0 0 1994 1 2 2.1000000000000001e+00 6.3235584380000001e+00 4.4524586104999997e+01 2.5193017480000002e+00 0 0 0 1997 1 1 -1.0500000000000000e+00 8.9635583590000003e+00 4.1474586616000003e+01 1.9993018250000001e+00 0 0 0 1998 1 1 -1.0500000000000000e+00 1.0283558359000001e+01 4.3764587210999998e+01 1.9993018250000001e+00 0 0 0 1999 1 1 -1.0500000000000000e+00 7.6435582020000004e+00 4.3764587210999998e+01 1.9993018250000001e+00 0 0 0 2004 1 1 -1.0500000000000000e+00 1.0723558254000000e+01 4.1474586616000003e+01 8.5593018749999992e+00 0 0 0 2005 1 1 -1.0500000000000000e+00 1.2043558254000001e+01 4.3754586021000001e+01 8.5593018749999992e+00 0 0 0 2006 1 1 -1.0500000000000000e+00 1.4683558253999999e+01 4.3754586021000001e+01 8.5593018749999992e+00 0 0 0 2009 1 2 2.1000000000000001e+00 1.0723558254000000e+01 4.2994586583000000e+01 8.0393015400000003e+00 0 0 0 2010 1 2 2.1000000000000001e+00 1.3363558254000001e+01 4.4524586649000000e+01 8.0393015400000003e+00 0 0 0 2015 1 3 4.2499999999999999e-01 1.4245058594000000e+01 4.1474586616000003e+01 6.7133017800000001e+00 0 0 0 2016 1 4 -9.4999999999999996e-01 1.3363558254000001e+01 4.1474586616000003e+01 6.3393016639999997e+00 0 0 0 2017 1 5 -1.1808000000000001e+00 1.0723558254000000e+01 4.2994587127000003e+01 6.3393016639999997e+00 0 0 0 2018 1 1 -1.0500000000000000e+00 1.3363558254000001e+01 4.4524586649000000e+01 6.3393016639999997e+00 0 0 0 2021 1 7 1.5750000000000000e+00 1.2483558149000000e+01 4.2994586583000000e+01 5.2793017820000001e+00 0 0 0 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