180 Lattice="9.56458128243 0.0 0.0 0.0 9.56458128243 0.0 0.0 0.0 31.881937608100003" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1560.44008585 stress="0.0198726120463121 5.030154680062371e-12 4.5379132445939957e-07 5.030154680062371e-12 0.019872612049397956 -2.315512439859666e-06 4.5379132445939957e-07 -2.315512439859666e-06 -2.3576145571044256e-07" pbc="T T F" W -0.00078292 0.01106025 0.15434186 0.00000613 -0.00000418 -0.00000261 W 1.59331558 1.60515601 1.57173221 0.00000501 -0.00000605 0.00000098 W -0.00077914 0.01105723 3.20563198 0.00000360 -0.00000790 -0.00000105 W 1.59331999 1.60515136 4.78578847 0.00000224 -0.00000871 -0.00000146 W -0.00077420 0.01105025 6.38506622 0.00000079 -0.00000832 -0.00000011 W 1.59332546 1.60514165 7.97731598 -0.00000052 -0.00000649 -0.00000014 W -0.00076871 0.01103823 9.57207884 -0.00000160 -0.00000339 -0.00000027 W 1.59333062 1.60512804 11.16593564 -0.00000243 0.00000030 0.00000019 W -0.00076419 0.01102414 12.76011988 -0.00000301 0.00000375 0.00000036 W 1.59333428 1.60511460 14.35418159 -0.00000338 0.00000615 0.00000040 W -0.00076153 0.01101228 15.94830059 -0.00000356 0.00000701 0.00000055 W 1.59333586 1.60510484 17.54236235 -0.00000353 0.00000629 0.00000051 W -0.00076106 0.01100463 19.13654668 -0.00000325 0.00000446 0.00000050 W 1.59333527 1.60509888 20.73040360 -0.00000271 0.00000228 0.00000069 W -0.00076260 0.01099971 22.32516661 -0.00000188 0.00000056 0.00000031 W 1.59333301 1.60509439 23.91741652 -0.00000081 -0.00000007 -0.00000001 W -0.00076528 0.01099525 25.51669443 0.00000043 0.00000057 0.00000093 W 1.59333030 1.60509003 27.09685104 0.00000162 0.00000213 0.00000031 W -0.00076792 0.01099087 28.73075092 0.00000291 0.00000464 -0.00000175 W 1.59332792 1.60508592 30.14814132 0.00000394 0.00000697 0.00000140 W -0.00078292 3.19925401 0.15434186 0.00000612 -0.00000417 -0.00000256 W 1.59331558 4.79334977 1.57173220 0.00000501 -0.00000605 0.00000107 W -0.00077914 3.19925099 3.20563197 0.00000360 -0.00000791 -0.00000102 W 1.59331999 4.79334512 4.78578846 0.00000224 -0.00000870 -0.00000141 W -0.00077420 3.19924402 6.38506622 0.00000079 -0.00000833 -0.00000009 W 1.59332546 4.79333541 7.97731598 -0.00000052 -0.00000649 -0.00000011 W -0.00076871 3.19923199 9.57207884 -0.00000161 -0.00000340 -0.00000026 W 1.59333062 4.79332180 11.16593564 -0.00000243 0.00000030 0.00000020 W -0.00076419 3.19921790 12.76011988 -0.00000301 0.00000375 0.00000037 W 1.59333428 4.79330837 14.35418159 -0.00000338 0.00000615 0.00000041 W -0.00076153 3.19920604 15.94830059 -0.00000355 0.00000701 0.00000055 W 1.59333586 4.79329860 17.54236235 -0.00000352 0.00000629 0.00000052 W -0.00076106 3.19919839 19.13654668 -0.00000325 0.00000446 0.00000050 W 1.59333527 4.79329264 20.73040360 -0.00000271 0.00000228 0.00000070 W -0.00076260 3.19919347 22.32516661 -0.00000188 0.00000056 0.00000031 W 1.59333301 4.79328815 23.91741652 -0.00000081 -0.00000007 -0.00000000 W -0.00076528 3.19918901 25.51669443 0.00000043 0.00000057 0.00000093 W 1.59333030 4.79328379 27.09685104 0.00000162 0.00000213 0.00000033 W -0.00076792 3.19918463 28.73075092 0.00000291 0.00000464 -0.00000175 W 1.59332792 4.79327968 30.14814132 0.00000394 0.00000697 0.00000142 W -0.00078292 6.38744777 0.15434185 0.00000613 -0.00000418 -0.00000252 W 1.59331558 7.98154353 1.57173220 0.00000501 -0.00000604 0.00000103 W -0.00077914 6.38744475 3.20563196 0.00000360 -0.00000790 -0.00000098 W 1.59331999 7.98153888 4.78578846 0.00000224 -0.00000869 -0.00000143 W -0.00077420 6.38743777 6.38506621 0.00000079 -0.00000832 -0.00000007 W 1.59332546 7.98152917 7.97731598 -0.00000052 -0.00000648 -0.00000012 W -0.00076871 6.38742575 9.57207884 -0.00000161 -0.00000340 -0.00000025 W 1.59333062 7.98151556 11.16593564 -0.00000243 0.00000030 0.00000019 W -0.00076419 6.38741166 12.76011987 -0.00000301 0.00000375 0.00000038 W 1.59333428 7.98150213 14.35418159 -0.00000338 0.00000615 0.00000041 W -0.00076153 6.38739981 15.94830059 -0.00000355 0.00000701 0.00000056 W 1.59333586 7.98149236 17.54236235 -0.00000353 0.00000629 0.00000052 W -0.00076106 6.38739215 19.13654668 -0.00000325 0.00000446 0.00000051 W 1.59333527 7.98148640 20.73040360 -0.00000271 0.00000228 0.00000070 W -0.00076260 6.38738723 22.32516660 -0.00000188 0.00000056 0.00000031 W 1.59333301 7.98148191 23.91741652 -0.00000081 -0.00000007 -0.00000000 W -0.00076528 6.38738277 25.51669443 0.00000043 0.00000057 0.00000094 W 1.59333030 7.98147755 27.09685104 0.00000162 0.00000212 0.00000033 W -0.00076792 6.38737839 28.73075091 0.00000291 0.00000464 -0.00000172 W 1.59332792 7.98147344 30.14814132 0.00000394 0.00000697 0.00000142 W 3.18741084 0.01106025 0.15434186 0.00000613 -0.00000419 -0.00000257 W 4.78150934 1.60515601 1.57173221 0.00000501 -0.00000605 0.00000101 W 3.18741462 0.01105723 3.20563197 0.00000359 -0.00000790 -0.00000102 W 4.78151375 1.60515136 4.78578846 0.00000224 -0.00000870 -0.00000145 W 3.18741956 0.01105025 6.38506622 0.00000079 -0.00000832 -0.00000009 W 4.78151922 1.60514165 7.97731598 -0.00000051 -0.00000648 -0.00000013 W 3.18742505 0.01103823 9.57207884 -0.00000160 -0.00000339 -0.00000026 W 4.78152438 1.60512804 11.16593564 -0.00000243 0.00000030 0.00000019 W 3.18742957 0.01102414 12.76011988 -0.00000301 0.00000375 0.00000036 W 4.78152805 1.60511460 14.35418159 -0.00000338 0.00000615 0.00000041 W 3.18743223 0.01101228 15.94830059 -0.00000356 0.00000701 0.00000056 W 4.78152962 1.60510484 17.54236235 -0.00000353 0.00000629 0.00000051 W 3.18743270 0.01100463 19.13654668 -0.00000326 0.00000446 0.00000051 W 4.78152903 1.60509888 20.73040360 -0.00000271 0.00000228 0.00000068 W 3.18743117 0.01099971 22.32516661 -0.00000188 0.00000057 0.00000030 W 4.78152677 1.60509439 23.91741652 -0.00000081 -0.00000007 -0.00000003 W 3.18742848 0.01099525 25.51669443 0.00000043 0.00000057 0.00000092 W 4.78152406 1.60509003 27.09685105 0.00000162 0.00000213 0.00000029 W 3.18742584 0.01099087 28.73075092 0.00000291 0.00000464 -0.00000175 W 4.78152168 1.60508592 30.14814133 0.00000395 0.00000696 0.00000137 W 3.18741084 3.19925401 0.15434185 0.00000612 -0.00000418 -0.00000253 W 4.78150934 4.79334977 1.57173219 0.00000501 -0.00000605 0.00000110 W 3.18741462 3.19925099 3.20563196 0.00000359 -0.00000791 -0.00000099 W 4.78151375 4.79334512 4.78578845 0.00000225 -0.00000870 -0.00000140 W 3.18741956 3.19924402 6.38506622 0.00000079 -0.00000833 -0.00000007 W 4.78151922 4.79333541 7.97731597 -0.00000051 -0.00000649 -0.00000011 W 3.18742505 3.19923199 9.57207884 -0.00000160 -0.00000340 -0.00000025 W 4.78152438 4.79332180 11.16593564 -0.00000243 0.00000030 0.00000021 W 3.18742957 3.19921790 12.76011987 -0.00000301 0.00000375 0.00000037 W 4.78152805 4.79330836 14.35418159 -0.00000338 0.00000615 0.00000042 W 3.18743223 3.19920604 15.94830059 -0.00000356 0.00000701 0.00000056 W 4.78152962 4.79329860 17.54236235 -0.00000352 0.00000630 0.00000052 W 3.18743270 3.19919839 19.13654668 -0.00000325 0.00000446 0.00000051 W 4.78152903 4.79329264 20.73040360 -0.00000271 0.00000228 0.00000069 W 3.18743117 3.19919347 22.32516661 -0.00000188 0.00000057 0.00000030 W 4.78152678 4.79328815 23.91741652 -0.00000081 -0.00000007 -0.00000002 W 3.18742848 3.19918901 25.51669443 0.00000043 0.00000057 0.00000093 W 4.78152406 4.79328379 27.09685104 0.00000162 0.00000213 0.00000030 W 3.18742584 3.19918463 28.73075092 0.00000291 0.00000464 -0.00000174 W 4.78152168 4.79327968 30.14814133 0.00000394 0.00000695 0.00000139 W 3.18741084 6.38744777 0.15434184 0.00000613 -0.00000419 -0.00000248 W 4.78150934 7.98154353 1.57173220 0.00000501 -0.00000604 0.00000105 W 3.18741462 6.38744475 3.20563196 0.00000359 -0.00000790 -0.00000095 W 4.78151375 7.98153888 4.78578846 0.00000225 -0.00000869 -0.00000142 W 3.18741956 6.38743777 6.38506621 0.00000079 -0.00000832 -0.00000005 W 4.78151922 7.98152917 7.97731598 -0.00000051 -0.00000648 -0.00000012 W 3.18742505 6.38742575 9.57207884 -0.00000160 -0.00000339 -0.00000024 W 4.78152438 7.98151556 11.16593564 -0.00000243 0.00000030 0.00000020 W 3.18742957 6.38741166 12.76011987 -0.00000301 0.00000375 0.00000038 W 4.78152805 7.98150213 14.35418159 -0.00000338 0.00000616 0.00000041 W 3.18743223 6.38739980 15.94830058 -0.00000356 0.00000701 0.00000056 W 4.78152962 7.98149236 17.54236235 -0.00000353 0.00000630 0.00000052 W 3.18743270 6.38739215 19.13654667 -0.00000326 0.00000446 0.00000051 W 4.78152903 7.98148640 20.73040360 -0.00000271 0.00000228 0.00000069 W 3.18743117 6.38738723 22.32516661 -0.00000188 0.00000056 0.00000031 W 4.78152678 7.98148191 23.91741652 -0.00000081 -0.00000007 -0.00000002 W 3.18742848 6.38738277 25.51669443 0.00000043 0.00000057 0.00000094 W 4.78152406 7.98147755 27.09685104 0.00000162 0.00000213 0.00000030 W 3.18742584 6.38737839 28.73075091 0.00000291 0.00000464 -0.00000172 W 4.78152168 7.98147344 30.14814133 0.00000394 0.00000696 0.00000139 W 6.37560460 0.01106025 0.15434186 0.00000612 -0.00000418 -0.00000258 W 7.96970310 1.60515601 1.57173222 0.00000501 -0.00000605 0.00000097 W 6.37560838 0.01105723 3.20563197 0.00000360 -0.00000790 -0.00000103 W 7.96970751 1.60515136 4.78578847 0.00000225 -0.00000871 -0.00000148 W 6.37561332 0.01105025 6.38506622 0.00000080 -0.00000832 -0.00000010 W 7.96971298 1.60514165 7.97731598 -0.00000051 -0.00000649 -0.00000015 W 6.37561881 0.01103823 9.57207884 -0.00000160 -0.00000339 -0.00000026 W 7.96971814 1.60512804 11.16593564 -0.00000243 0.00000030 0.00000019 W 6.37562333 0.01102414 12.76011988 -0.00000301 0.00000375 0.00000037 W 7.96972181 1.60511460 14.35418159 -0.00000338 0.00000615 0.00000040 W 6.37562599 0.01101228 15.94830059 -0.00000356 0.00000701 0.00000055 W 7.96972338 1.60510484 17.54236235 -0.00000352 0.00000629 0.00000051 W 6.37562646 0.01100463 19.13654668 -0.00000325 0.00000446 0.00000050 W 7.96972279 1.60509888 20.73040360 -0.00000271 0.00000227 0.00000068 W 6.37562493 0.01099971 22.32516661 -0.00000188 0.00000056 0.00000029 W 7.96972054 1.60509439 23.91741652 -0.00000081 -0.00000007 -0.00000003 W 6.37562224 0.01099525 25.51669443 0.00000043 0.00000057 0.00000090 W 7.96971782 1.60509003 27.09685105 0.00000162 0.00000213 0.00000029 W 6.37561960 0.01099087 28.73075092 0.00000291 0.00000464 -0.00000178 W 7.96971544 1.60508592 30.14814133 0.00000394 0.00000696 0.00000137 W 6.37560460 3.19925401 0.15434185 0.00000612 -0.00000417 -0.00000253 W 7.96970310 4.79334977 1.57173220 0.00000501 -0.00000605 0.00000106 W 6.37560838 3.19925099 3.20563197 0.00000360 -0.00000791 -0.00000100 W 7.96970751 4.79334512 4.78578846 0.00000225 -0.00000870 -0.00000142 W 6.37561332 3.19924402 6.38506622 0.00000080 -0.00000833 -0.00000008 W 7.96971298 4.79333541 7.97731598 -0.00000051 -0.00000649 -0.00000012 W 6.37561881 3.19923199 9.57207884 -0.00000160 -0.00000340 -0.00000025 W 7.96971814 4.79332180 11.16593564 -0.00000243 0.00000030 0.00000020 W 6.37562333 3.19921790 12.76011987 -0.00000301 0.00000375 0.00000037 W 7.96972181 4.79330836 14.35418159 -0.00000338 0.00000615 0.00000041 W 6.37562599 3.19920604 15.94830059 -0.00000356 0.00000701 0.00000056 W 7.96972338 4.79329860 17.54236235 -0.00000352 0.00000629 0.00000052 W 6.37562646 3.19919839 19.13654668 -0.00000325 0.00000446 0.00000050 W 7.96972279 4.79329264 20.73040360 -0.00000271 0.00000227 0.00000069 W 6.37562493 3.19919347 22.32516661 -0.00000188 0.00000056 0.00000029 W 7.96972054 4.79328815 23.91741652 -0.00000081 -0.00000007 -0.00000002 W 6.37562224 3.19918901 25.51669443 0.00000043 0.00000058 0.00000091 W 7.96971782 4.79328379 27.09685104 0.00000162 0.00000213 0.00000031 W 6.37561960 3.19918463 28.73075092 0.00000291 0.00000464 -0.00000177 W 7.96971544 4.79327968 30.14814133 0.00000394 0.00000696 0.00000139 W 6.37560460 6.38744777 0.15434184 0.00000613 -0.00000418 -0.00000249 W 7.96970310 7.98154353 1.57173221 0.00000501 -0.00000604 0.00000102 W 6.37560838 6.38744475 3.20563196 0.00000360 -0.00000790 -0.00000096 W 7.96970751 7.98153888 4.78578846 0.00000225 -0.00000869 -0.00000145 W 6.37561332 6.38743777 6.38506621 0.00000080 -0.00000832 -0.00000006 W 7.96971298 7.98152917 7.97731598 -0.00000051 -0.00000648 -0.00000013 W 6.37561881 6.38742575 9.57207884 -0.00000160 -0.00000339 -0.00000024 W 7.96971814 7.98151556 11.16593564 -0.00000243 0.00000030 0.00000019 W 6.37562333 6.38741166 12.76011987 -0.00000301 0.00000376 0.00000038 W 7.96972181 7.98150213 14.35418159 -0.00000338 0.00000616 0.00000041 W 6.37562599 6.38739980 15.94830059 -0.00000356 0.00000701 0.00000056 W 7.96972338 7.98149236 17.54236235 -0.00000352 0.00000629 0.00000051 W 6.37562646 6.38739215 19.13654668 -0.00000325 0.00000446 0.00000051 W 7.96972279 7.98148640 20.73040360 -0.00000271 0.00000227 0.00000069 W 6.37562493 6.38738723 22.32516661 -0.00000188 0.00000056 0.00000030 W 7.96972054 7.98148191 23.91741652 -0.00000081 -0.00000007 -0.00000002 W 6.37562224 6.38738277 25.51669443 0.00000043 0.00000057 0.00000092 W 7.96971782 7.98147755 27.09685104 0.00000162 0.00000213 0.00000031 W 6.37561960 6.38737839 28.73075092 0.00000291 0.00000464 -0.00000175 W 7.96971544 7.98147344 30.14814133 0.00000394 0.00000696 0.00000139