LAMMPS Surface Energy Simulations Data File 10000 atoms 1 atom types -10.000000 10.000000 xlo xhi -10.000000 10.000000 ylo yhi -12.500000 12.500000 zlo zhi Masses 1 1.0 Atoms 1 1 1 0 6.803755 -2.112341 7.077481 2 2 1 0 5.968801 8.232947 -7.561216 3 3 1 0 -3.295545 5.364592 -5.555632 4 4 1 0 1.079400 -0.452059 3.221773 5 5 1 0 -2.704310 0.268018 11.305743 6 6 1 0 8.323902 2.714235 5.432424 7 7 1 0 -7.167949 2.139378 -12.092485 8 8 1 0 -5.142265 -7.255369 7.604419 9 9 1 0 -6.866418 -1.981112 -9.255239 10 10 1 0 -7.823824 9.978490 -7.043577 11 11 1 0 0.258648 6.782245 2.815996 12 12 1 0 -4.079368 2.751045 0.607179 13 13 1 0 -0.128340 9.455501 -5.187080 14 14 1 0 5.427155 0.534899 6.747846 15 15 1 0 -1.995428 7.830589 -5.417131 16 16 1 0 -2.950833 6.154490 10.475662 17 17 1 0 -8.604895 8.986541 0.649884 18 18 1 0 -8.278883 -6.155723 4.080673 19 19 1 0 7.804652 -3.022141 -10.895717 20 20 1 0 -9.599539 -0.845965 -10.922604 21 21 1 0 -5.234401 9.412682 10.055202 22 22 1 0 7.018395 -4.666685 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0 5.526396 4.191341 9.550468 1731 1731 1 0 0.928183 9.146365 -7.327680 1732 1732 1 0 -0.649405 -5.388379 -3.130907 1733 1733 1 0 -0.769135 -0.477690 -9.787867 1734 1734 1 0 -7.321691 -9.269543 -12.014157 1735 1735 1 0 -8.002572 -5.235590 1.319319 1736 1736 1 0 4.637296 8.095355 -6.682908 1737 1737 1 0 -7.730571 -8.345551 -3.998553 1738 1738 1 0 9.909803 2.582631 -5.065597 1739 1739 1 0 1.186539 -0.699838 5.411025 1740 1740 1 0 8.681813 8.531027 -7.686087 1741 1741 1 0 2.295650 7.844059 -3.198308 1742 1742 1 0 -2.641582 3.286693 -2.861849 1743 1743 1 0 9.968233 5.556122 -0.793789 1744 1744 1 0 -3.230609 5.465927 -10.065499 1745 1745 1 0 2.716913 9.513587 -10.128541 1746 1746 1 0 -7.565888 0.700127 1.496661 1747 1747 1 0 6.762931 -0.618060 -0.339555 1748 1748 1 0 -9.385938 0.233461 1.172115 1749 1749 1 0 -4.804350 1.473655 5.180569 1750 1750 1 0 4.541649 -6.230695 2.485642 1751 1751 1 0 -8.016998 -9.281371 8.129038 1752 1752 1 0 -6.434530 -1.922954 -0.262596 1753 1753 1 0 1.275990 -1.954721 -5.817442 1754 1754 1 0 -7.411440 -2.468417 -12.093050 1755 1755 1 0 -5.514273 -0.034305 1.282108 1756 1756 1 0 5.683056 -3.271374 -11.990468 1757 1757 1 0 6.349103 2.538338 -9.856573 1758 1758 1 0 0.493559 -2.920014 -5.144942 1759 1759 1 0 -7.517928 -0.937012 -4.246656 1760 1760 1 0 -1.224774 -6.095551 -9.093750 1761 1761 1 0 4.121273 -5.454591 9.424588 1762 1762 1 0 4.933245 -2.866031 -6.160933 1763 1763 1 0 -3.715509 -2.697247 -10.293033 1764 1764 1 0 7.333202 -0.936731 -10.441750 1765 1765 1 0 1.934665 -8.975798 0.522542 1766 1766 1 0 -3.385613 -0.200571 5.403104 1767 1767 1 0 -0.660613 -6.079299 11.084865 1768 1768 1 0 -3.120942 8.853946 -4.997674 1769 1769 1 0 1.950310 4.112750 9.526947 1770 1770 1 0 -3.012741 -9.602759 -6.344612 1771 1771 1 0 -1.247167 -2.910643 9.548095 1772 1772 1 0 7.861095 -5.577440 -4.122818 1773 1773 1 0 -1.765717 -0.797505 -2.128158 1774 1774 1 0 -3.976141 -8.862839 -0.847904 1775 1775 1 0 6.441894 -2.248452 11.401382 1776 1776 1 0 0.764376 7.090936 -8.697742 1777 1777 1 0 -0.367732 -6.030007 -10.130310 1778 1778 1 0 5.634129 5.920304 7.510628 1779 1779 1 0 3.255687 -7.092437 8.007179 1780 1780 1 0 8.179997 1.660396 -8.131124 1781 1781 1 0 5.818473 -0.478508 -2.602924 1782 1782 1 0 -7.479781 -0.970812 2.235207 1783 1783 1 0 -1.221207 7.263471 -11.261674 1784 1784 1 0 7.076266 -6.712670 -9.840222 1785 1785 1 0 -3.602058 9.729223 -0.150787 1786 1786 1 0 -4.480953 0.493599 -3.787117 1787 1787 1 0 -1.439146 -9.874132 1.175374 1788 1788 1 0 0.456605 5.759996 -3.924245 1789 1789 1 0 -3.534892 -0.984317 -0.289792 1790 1790 1 0 -7.129149 -2.804320 -10.714296 1791 1791 1 0 -3.634049 -6.985847 1.187567 1792 1792 1 0 4.283612 -4.465628 12.474052 1793 1793 1 0 -3.928223 4.313165 9.053391 1794 1794 1 0 -2.937562 1.389431 -11.837445 1795 1795 1 0 -0.809740 7.787373 -12.175917 1796 1796 1 0 9.069630 -6.693580 0.941083 1797 1797 1 0 -3.960064 1.867273 1.098417 1798 1798 1 0 6.980236 -7.676121 -4.201587 1799 1799 1 0 3.609005 1.659837 -8.937384 1800 1800 1 0 5.037568 8.025788 -5.169692 1801 1801 1 0 -4.033136 8.381176 -5.360271 1802 1802 1 0 -6.260379 4.633874 6.110732 1803 1803 1 0 -6.001112 3.703504 10.243757 1804 1804 1 0 4.751754 9.743439 0.077850 1805 1805 1 0 -2.076368 4.173518 3.543727 1806 1806 1 0 0.773726 -0.788914 1.075962 1807 1807 1 0 6.637971 5.198709 -8.537289 1808 1808 1 0 -1.963409 -8.834428 -10.560819 1809 1809 1 0 0.849587 -1.885229 -10.463959 1810 1810 1 0 -4.261827 2.113659 6.665421 1811 1811 1 0 -6.066821 -3.134587 6.344719 1812 1812 1 0 -3.618383 -5.234880 2.954955 1813 1813 1 0 -9.608257 -6.537523 7.185711 1814 1814 1 0 1.252513 -9.899551 1.184097 1815 1815 1 0 4.422681 -1.862960 2.641062 1816 1816 1 0 5.974027 -8.114587 8.110001 1817 1817 1 0 -7.031013 2.735001 -6.746536 1818 1818 1 0 -5.402181 8.473173 8.395537 1819 1819 1 0 9.930157 -7.593648 -8.022696 1820 1820 1 0 -3.194618 -7.216573 -11.446420 1821 1821 1 0 9.169346 0.340188 4.414521 1822 1822 1 0 -4.293171 0.731931 8.742617 1823 1823 1 0 -8.544602 -8.015556 8.868178 1824 1824 1 0 2.402674 6.407125 -5.960523 1825 1825 1 0 -5.484476 2.381152 -3.603756 1826 1826 1 0 -8.996476 5.350139 12.314995 1827 1827 1 0 -7.677275 9.878115 -11.585599 1828 1828 1 0 -8.017687 -8.310571 12.395948 1829 1829 1 0 6.356793 -3.434396 -11.263903 1830 1830 1 0 0.445430 -9.576324 11.725558 1831 1831 1 0 5.677012 -5.060801 2.201998 1832 1832 1 0 -7.205992 -4.057277 -3.610328 1833 1833 1 0 -7.353996 1.549017 -3.675380 1834 1834 1 0 -9.028828 3.871742 -3.827737 1835 1835 1 0 -8.297306 9.776311 -10.222678 1836 1836 1 0 8.836025 -8.241375 -8.110892 1837 1837 1 0 8.752784 -5.416197 -7.037423 1838 1838 1 0 -0.990270 -9.059403 1.169582 1839 1839 1 0 2.971929 -5.263085 11.725428 1840 1840 1 0 2.352375 -9.586073 -7.100573 1841 1841 1 0 -5.886026 -6.792065 0.327830 1842 1842 1 0 1.225711 -4.146061 -10.235897 1843 1843 1 0 8.285408 -3.174889 7.103781 1844 1844 1 0 -4.776782 -1.472195 6.824170 1845 1845 1 0 0.556362 -3.883387 -10.247796 1846 1846 1 0 4.926423 5.126344 -9.072050 1847 1847 1 0 -4.137911 -4.875049 8.792305 1848 1848 1 0 -5.181245 8.096880 -10.286551 1849 1849 1 0 -5.800902 0.449256 -9.769142 1850 1850 1 0 -1.481361 4.563229 -5.759223 1851 1851 1 0 8.780904 -4.211060 1.558200 1852 1852 1 0 -9.407814 -5.925652 10.089588 1853 1853 1 0 1.734548 6.342641 4.954133 1854 1854 1 0 -1.047491 -3.100997 -12.400102 1855 1855 1 0 0.754272 -8.174574 6.507829 1856 1856 1 0 0.530477 2.506270 10.535118 1857 1857 1 0 2.301235 6.705368 -1.403314 1858 1858 1 0 4.485922 -4.775992 -8.199278 1859 1859 1 0 1.125103 -5.402903 4.129833 1860 1860 1 0 -0.803226 -9.127692 -9.248210 1861 1861 1 0 5.796250 2.606856 11.180093 1862 1862 1 0 -0.240445 -8.440637 -5.196155 1863 1863 1 0 -0.160525 2.313635 -2.914372 1864 1864 1 0 -4.954263 -4.189733 6.695022 1865 1865 1 0 -4.623049 6.340744 -2.672141 1866 1866 1 0 -6.194955 -1.358020 -6.790431 1867 1867 1 0 2.682394 -6.872098 -0.260422 1868 1868 1 0 8.656357 -6.671676 11.582472 1869 1869 1 0 -8.742211 9.124574 2.341041 1870 1870 1 0 -9.798138 -1.115870 4.290246 1871 1871 1 0 3.713441 -6.230659 1.945125 1872 1872 1 0 6.931745 2.951337 8.173530 1873 1873 1 0 -8.500600 -4.366269 12.083406 1874 1874 1 0 1.291062 -8.243298 -9.158536 1875 1875 1 0 -4.912366 -2.890807 8.505900 1876 1876 1 0 -6.518696 -4.234451 -12.333694 1877 1877 1 0 -7.252719 -2.976663 11.572022 1878 1878 1 0 4.620113 -2.774800 -2.322815 1879 1879 1 0 -1.947690 3.270139 -3.918310 1880 1880 1 0 3.798141 -3.016421 0.793366 1881 1881 1 0 -0.210093 4.484181 10.457565 1882 1882 1 0 -0.543368 -4.224757 -12.346557 1883 1883 1 0 -1.065476 4.344182 3.746870 1884 1884 1 0 -0.932432 7.091463 -12.473958 1885 1885 1 0 -1.674814 1.711577 -3.442458 1886 1886 1 0 6.466933 9.763885 -11.854785 1887 1887 1 0 -6.667715 3.562027 -3.125311 1888 1888 1 0 3.966979 8.916267 -8.059015 1889 1889 1 0 -3.519716 -8.042742 1.277189 1890 1890 1 0 -5.153664 1.413890 8.496243 1891 1891 1 0 -5.030910 -6.456306 -2.925161 1892 1892 1 0 2.201037 2.478218 -9.994934 1893 1893 1 0 -4.801466 -8.454214 11.369395 1894 1894 1 0 -4.780632 -0.129028 1.008865 1895 1895 1 0 2.465401 -3.662094 0.713724 1896 1896 1 0 2.981573 -0.329808 -7.333743 1897 1897 1 0 -9.518676 -6.362830 -8.688408 1898 1898 1 0 -9.428318 -6.134583 8.967354 1899 1899 1 0 1.593432 -1.288247 -1.765284 1900 1900 1 0 -1.609574 3.680844 2.664334 1901 1901 1 0 6.050297 -4.118118 -6.737895 1902 1902 1 0 8.054351 1.080415 -4.805663 1903 1903 1 0 7.149866 6.299783 7.533052 1904 1904 1 0 -2.043042 -1.234816 -9.544564 1905 1905 1 0 8.527937 -8.253242 2.543175 1906 1906 1 0 -4.289783 -3.737806 3.821054 1907 1907 1 0 -9.073158 -3.166124 8.652825 1908 1908 1 0 8.100724 8.427307 -5.457482 1909 1909 1 0 -3.311503 -3.182266 11.643572 1910 1910 1 0 8.819963 -7.131969 -6.004075 1911 1911 1 0 -6.570353 -9.077619 7.846445 1912 1912 1 0 -0.414882 8.072248 3.221174 1913 1913 1 0 -4.388440 -3.970795 -10.822347 1914 1914 1 0 -9.989552 -2.781914 -5.853797 1915 1915 1 0 5.682159 2.928302 1.973945 1916 1916 1 0 -1.260998 3.855144 10.516291 1917 1917 1 0 -4.338737 1.955868 8.550425 1918 1918 1 0 1.295277 8.644365 -7.927408 1919 1919 1 0 0.610135 7.464328 -4.342369 1920 1920 1 0 5.806875 -9.106024 -3.189392 1921 1921 1 0 2.084030 0.479094 -5.599084 1922 1922 1 0 -5.339031 6.090654 1.937424 1923 1923 1 0 -3.996909 -5.933438 7.633852 1924 1924 1 0 -0.908028 -5.922989 -8.343542 1925 1925 1 0 4.408934 9.759171 7.816836 1926 1926 1 0 -4.011909 -1.501827 0.135766 1927 1927 1 0 -5.598877 4.159436 -9.919398 1928 1928 1 0 -8.758537 -4.545288 -11.613942 1929 1929 1 0 -5.100463 6.064848 10.216469 1930 1930 1 0 1.425642 1.871723 11.333938 1931 1931 1 0 8.874128 -6.044248 -0.567195 1932 1932 1 0 -5.605139 -1.383279 -5.453877 1933 1933 1 0 5.944799 4.619813 -0.370675 1934 1934 1 0 5.377047 8.120719 4.424552 1935 1935 1 0 1.630516 -5.891189 -9.952731 1936 1936 1 0 -8.260870 -1.490066 7.746564 1937 1937 1 0 -6.196389 -0.248603 -10.435045 1938 1938 1 0 -5.487543 4.650934 9.646015 1939 1939 1 0 -7.314368 -3.923424 -0.514333 1940 1940 1 0 -8.247217 -5.049296 4.430358 1941 1941 1 0 1.299027 -0.654435 -9.798740 1942 1942 1 0 6.935925 -4.709636 8.476027 1943 1943 1 0 -3.360614 7.342244 -11.884243 1944 1944 1 0 3.959500 -5.650192 -9.097330 1945 1945 1 0 5.997315 -3.911062 1.540087 1946 1946 1 0 2.194566 -0.107450 -11.270667 1947 1947 1 0 3.846530 4.405007 7.043001 1948 1948 1 0 -8.848125 8.843422 -4.172900 1949 1949 1 0 4.696162 0.142449 7.509056 1950 1950 1 0 6.857169 -2.921626 -10.877989 1951 1951 1 0 3.637990 3.717760 10.799818 1952 1952 1 0 4.130596 4.137617 1.698932 1953 1953 1 0 2.743921 -1.902883 7.136193 1954 1954 1 0 5.466057 -5.905568 -10.252635 1955 1955 1 0 -3.301874 6.288998 2.113052 1956 1956 1 0 -2.318407 0.135528 -4.880690 1957 1957 1 0 -6.684007 -8.301131 -8.517390 1958 1958 1 0 1.688650 7.546906 2.714947 1959 1959 1 0 -2.366642 -7.827341 -3.617865 1960 1960 1 0 8.992502 4.916580 6.503531 1961 1961 1 0 4.701457 0.382637 11.621571 1962 1962 1 0 6.499349 7.080764 6.982818 1963 1963 1 0 -1.810210 -5.237644 -5.347772 1964 1964 1 0 4.285239 -1.921650 -3.224187 1965 1965 1 0 7.471327 3.105320 0.339243 1966 1966 1 0 9.500835 -5.206030 -2.727126 1967 1967 1 0 0.996925 -1.890771 -3.307904 1968 1968 1 0 -3.800251 -7.189314 9.670392 1969 1969 1 0 -4.502995 9.310035 6.021346 1970 1970 1 0 -8.916739 -2.500175 11.974292 1971 1971 1 0 2.315388 0.430019 10.058670 1972 1972 1 0 4.537761 -8.646855 11.912881 1973 1973 1 0 -5.197801 -4.755640 -1.691213 1974 1974 1 0 7.239296 6.241284 8.445324 1975 1975 1 0 -7.670714 -2.061960 11.096224 1976 1976 1 0 7.146363 -0.978699 -4.528994 1977 1977 1 0 -5.616422 0.052037 -3.227176 1978 1978 1 0 -4.853320 4.549126 -4.780643 1979 1979 1 0 0.703752 -3.135487 8.256881 1980 1980 1 0 -1.249312 -8.597725 9.948312 1981 1981 1 0 -1.719008 -3.795526 -8.496238 1982 1982 1 0 3.251226 0.366030 -0.220788 1983 1983 1 0 8.505011 -5.761813 5.838767 1984 1984 1 0 4.085139 3.768445 11.590219 1985 1985 1 0 -9.739376 -5.527803 -4.829140 1986 1986 1 0 6.866128 3.222884 -3.076297 1987 1987 1 0 4.824778 -8.496123 4.679296 1988 1988 1 0 7.472082 2.116181 -5.970062 1989 1989 1 0 -0.819219 7.495612 -8.622036 1990 1990 1 0 -7.303536 -7.332498 7.452905 1991 1991 1 0 -2.580487 6.752641 -0.336539 1992 1992 1 0 -3.308312 7.013265 5.253707 1993 1993 1 0 2.828375 3.879393 -3.217688 1994 1994 1 0 -9.632662 -1.295829 -1.337843 1995 1995 1 0 4.110775 -3.268042 -3.297969 1996 1996 1 0 1.297982 -5.795960 11.847256 1997 1997 1 0 6.521933 -6.438549 -6.443486 1998 1998 1 0 8.517165 0.883659 9.701988 1999 1999 1 0 -1.752065 7.575347 5.968569 2000 2000 1 0 -7.549100 0.403723 -1.682189 2001 2001 1 0 -0.123250 0.771061 9.198024 2002 2002 1 0 -4.354095 2.701751 2.319835 2003 2003 1 0 0.491117 -5.186337 -6.752375 2004 2004 1 0 1.173387 -7.417212 -1.462588 2005 2005 1 0 2.182336 -8.900045 12.141986 2006 2006 1 0 -5.281219 1.798788 -2.884176 2007 2007 1 0 3.373029 -8.324462 10.579650 2008 2008 1 0 0.731449 -9.517987 -8.318054 2009 2009 1 0 4.821826 -3.349886 11.906719 2010 2010 1 0 -6.883757 2.296019 2.783908 2011 2011 1 0 4.972111 -7.212864 8.800988 2012 2012 1 0 9.570211 5.619077 8.835920 2013 2013 1 0 -5.064006 -3.207538 12.064406 2014 2014 1 0 3.479512 -1.081276 0.124210 2015 2015 1 0 0.768447 3.637506 -10.127305 2016 2016 1 0 8.461105 -2.989465 -8.032883 2017 2017 1 0 -9.729618 2.563810 0.882275 2018 2018 1 0 9.795757 5.680052 -8.747701 2019 2019 1 0 -0.936326 0.222374 -10.739936 2020 2020 1 0 -3.867589 5.158368 -2.249358 2021 2021 1 0 -4.216064 -1.075709 -3.530860 2022 2022 1 0 -3.464585 -7.596198 7.617545 2023 2023 1 0 6.634784 3.172250 -0.335573 2024 2024 1 0 8.532939 1.633356 8.427596 2025 2025 1 0 6.868161 -1.375679 -9.090096 2026 2026 1 0 9.870000 -9.352795 4.225108 2027 2027 1 0 -4.341025 -0.289121 -7.996923 2028 2028 1 0 5.267540 -8.372774 -2.893599 2029 2029 1 0 -7.557148 -1.837359 0.111154 2030 2030 1 0 8.536888 -5.202576 -8.423534 2031 2031 1 0 -1.731570 -6.669636 6.118159 2032 2032 1 0 -4.989493 -4.563003 -8.184114 2033 2033 1 0 9.494568 1.599337 2.851589 2034 2034 1 0 -3.457561 -1.532502 -11.368010 2035 2035 1 0 -7.349551 3.996474 1.579595 2036 2036 1 0 -3.747090 -8.936501 -3.616293 2037 2037 1 0 -4.986260 6.331039 -1.582260 2038 2038 1 0 -7.212217 7.310781 -10.382179 2039 2039 1 0 -3.951044 -4.420790 -6.219224 2040 2040 1 0 -9.056517 0.589718 0.577022 2041 2041 1 0 6.677463 6.626724 0.660565 2042 2042 1 0 7.583055 -4.102913 11.082439 2043 2043 1 0 9.135852 -1.452464 3.578031 2044 2044 1 0 -6.862483 5.300828 -4.572954 2045 2045 1 0 -9.681989 -3.310542 3.243563 2046 2046 1 0 -7.621034 -6.633079 -0.973032 2047 2047 1 0 -5.364204 0.485356 10.583302 2048 2048 1 0 8.561721 -2.008152 10.351033 2049 2049 1 0 -1.181314 4.232534 0.992338 2050 2050 1 0 7.849543 7.370051 -4.881626 2051 2051 1 0 1.217440 4.755198 12.242661 2052 2052 1 0 -9.560986 -2.337383 -11.569869 2053 2053 1 0 5.557675 9.435987 -11.462584 2054 2054 1 0 9.223872 -5.928216 1.644111 2055 2055 1 0 7.690515 -7.366495 11.633921 2056 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