180 Lattice="9.450460106129999 0.0 0.0 0.0 9.450460106129999 0.0 0.0 0.0 31.5015336871" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1198.2188298784802 stress="46.56993362952497 -9.240884158112595e-09 0.0010221492781266393 -9.240884158112595e-09 46.56993365591262 -0.004882491192793482 0.0010221492781266393 -0.004882491192793482 0.0013774499236414214" pbc="T T F" Mo -0.00077075 0.01105665 0.02912647 -0.00000142 -0.00000323 0.00000153 Mo 1.57430553 1.58613257 1.59365005 -0.00000113 -0.00000321 0.00000084 Mo -0.00077177 0.01105458 3.15361378 -0.00000129 -0.00000290 0.00000106 Mo 1.57430397 1.58612918 4.73378351 -0.00000030 -0.00000374 0.00000144 Mo -0.00077372 0.01104984 6.30720766 0.00000147 -0.00000312 0.00000043 Mo 1.57430213 1.58612325 7.88284600 0.00000105 -0.00000210 0.00000106 Mo -0.00077516 0.01104275 9.45773068 0.00000048 -0.00000210 0.00000087 Mo 1.57430122 1.58611500 11.03287361 0.00000140 -0.00000128 -0.00000010 Mo -0.00077530 0.01103337 12.60792791 0.00000205 -0.00000197 0.00000031 Mo 1.57430207 1.58610458 14.18301358 0.00000279 -0.00000282 0.00000001 Mo -0.00077337 0.01102190 15.75808541 0.00000309 -0.00000188 0.00000053 Mo 1.57430512 1.58609234 17.33317109 0.00000226 -0.00000184 -0.00000017 Mo -0.00076934 0.01100924 18.90822548 0.00000169 0.00000012 -0.00000222 Mo 1.57430987 1.58607962 20.48336827 0.00000130 0.00000260 -0.00000026 Mo -0.00076413 0.01099710 22.05825289 0.00000056 0.00000251 0.00000049 Mo 1.57431524 1.58606853 23.63389132 -0.00000127 0.00000339 -0.00000153 Mo -0.00075898 0.01098735 25.20731538 -0.00000317 0.00000526 -0.00000100 Mo 1.57431981 1.58606036 26.78748511 -0.00000378 0.00000650 -0.00000091 Mo -0.00075551 0.01098147 28.34744886 -0.00000438 0.00000588 -0.00000141 Mo 1.57432195 1.58605684 29.91197239 -0.00000350 0.00000571 -0.00000106 Mo -0.00077075 3.16121001 0.02912647 -0.00000154 -0.00000303 0.00000145 Mo 1.57430554 4.73628595 1.59365002 -0.00000140 -0.00000366 0.00000141 Mo -0.00077176 3.16120792 3.15361379 -0.00000148 -0.00000225 0.00000089 Mo 1.57430397 4.73628249 4.73378356 -0.00000043 -0.00000225 0.00000039 Mo -0.00077365 3.16120318 6.30720764 -0.00000014 -0.00000251 0.00000090 Mo 1.57430214 4.73627667 7.88284598 0.00000099 -0.00000316 0.00000171 Mo -0.00077528 3.16119619 9.45773069 0.00000342 -0.00000368 0.00000081 Mo 1.57430118 4.73626845 11.03287361 0.00000227 -0.00000313 -0.00000004 Mo -0.00077532 3.16118674 12.60792792 0.00000239 -0.00000215 0.00000008 Mo 1.57430210 4.73625788 14.18301361 0.00000203 -0.00000120 -0.00000066 Mo -0.00077328 3.16117526 15.75808544 0.00000086 -0.00000150 -0.00000023 Mo 1.57430511 4.73624565 17.33317104 0.00000244 -0.00000032 0.00000117 Mo -0.00076932 3.16116254 18.90822540 0.00000129 0.00000164 -0.00000018 Mo 1.57430989 4.73623303 20.48336834 0.00000085 0.00000147 -0.00000203 Mo -0.00076411 3.16115048 22.05825296 -0.00000015 0.00000238 -0.00000139 Mo 1.57431523 4.73622189 23.63389126 -0.00000113 0.00000355 -0.00000026 Mo -0.00075907 3.16114077 25.20731535 -0.00000090 0.00000404 -0.00000036 Mo 1.57431979 4.73621380 26.78748512 -0.00000327 0.00000471 -0.00000114 Mo -0.00075562 3.16113488 28.34744886 -0.00000186 0.00000493 -0.00000142 Mo 1.57432194 4.73621023 29.91197239 -0.00000329 0.00000520 -0.00000115 Mo -0.00077074 6.31136338 0.02912648 -0.00000171 -0.00000313 0.00000128 Mo 1.57430556 7.88643926 1.59365007 -0.00000195 -0.00000225 0.00000024 Mo -0.00077175 6.31136135 3.15361377 -0.00000165 -0.00000362 0.00000133 Mo 1.57430398 7.88643586 4.73378346 -0.00000044 -0.00000239 0.00000275 Mo -0.00077367 6.31135655 6.30720765 0.00000033 -0.00000251 0.00000064 Mo 1.57430212 7.88643002 7.88284605 0.00000137 -0.00000281 0.00000000 Mo -0.00077522 6.31134950 9.45773071 0.00000196 -0.00000228 0.00000030 Mo 1.57430116 7.88642183 11.03287360 0.00000293 -0.00000347 0.00000018 Mo -0.00077531 6.31134015 12.60792787 0.00000231 -0.00000320 0.00000118 Mo 1.57430208 7.88641128 14.18301357 0.00000236 -0.00000208 0.00000034 Mo -0.00077334 6.31132860 15.75808547 0.00000231 -0.00000072 -0.00000095 Mo 1.57430518 7.88639898 17.33317112 0.00000071 0.00000076 -0.00000081 Mo -0.00076934 6.31131598 18.90822540 0.00000173 0.00000006 -0.00000022 Mo 1.57430990 7.88638641 20.48336824 0.00000050 0.00000113 0.00000048 Mo -0.00076410 6.31130380 22.05825295 -0.00000030 0.00000354 -0.00000119 Mo 1.57431520 7.88637523 23.63389133 -0.00000019 0.00000426 -0.00000197 Mo -0.00075903 6.31129414 25.20731535 -0.00000207 0.00000404 -0.00000021 Mo 1.57431974 7.88636721 26.78748512 -0.00000197 0.00000369 -0.00000112 Mo -0.00075556 6.31128825 28.34744887 -0.00000328 0.00000492 -0.00000161 Mo 1.57432194 7.88636360 29.91197238 -0.00000311 0.00000527 -0.00000078 Mo 3.14938263 0.01105664 0.02912647 -0.00000182 -0.00000295 0.00000144 Mo 4.72445893 1.58613258 1.59365002 -0.00000189 -0.00000359 0.00000139 Mo 3.14938157 0.01105455 3.15361378 -0.00000059 -0.00000223 0.00000109 Mo 4.72445733 1.58612913 4.73378353 -0.00000004 -0.00000268 0.00000101 Mo 3.14937973 0.01104984 6.30720765 -0.00000045 -0.00000317 0.00000074 Mo 4.72445549 1.58612326 7.88284604 0.00000127 -0.00000221 0.00000030 Mo 3.14937816 0.01104280 9.45773071 0.00000178 -0.00000319 0.00000033 Mo 4.72445455 1.58611506 11.03287357 0.00000229 -0.00000263 0.00000092 Mo 3.14937801 0.01103340 12.60792788 0.00000340 -0.00000281 0.00000106 Mo 4.72445547 1.58610457 14.18301358 0.00000200 -0.00000251 0.00000012 Mo 3.14938005 0.01102185 15.75808546 0.00000169 -0.00000056 -0.00000059 Mo 4.72445851 1.58609229 17.33317111 0.00000167 -0.00000041 -0.00000058 Mo 3.14938404 0.01100918 18.90822544 0.00000143 0.00000146 -0.00000113 Mo 4.72446324 1.58607966 20.48336830 0.00000129 0.00000164 -0.00000106 Mo 3.14938931 0.01099711 22.05825289 -0.00000141 0.00000244 0.00000027 Mo 4.72446861 1.58606848 23.63389126 -0.00000124 0.00000441 -0.00000008 Mo 3.14939428 0.01098742 25.20731541 -0.00000054 0.00000352 -0.00000165 Mo 4.72447313 1.58606045 26.78748513 -0.00000248 0.00000429 -0.00000154 Mo 3.14939776 0.01098153 28.34744884 -0.00000206 0.00000464 -0.00000093 Mo 4.72447532 1.58605685 29.91197239 -0.00000336 0.00000555 -0.00000107 Mo 3.14938263 3.16121002 0.02912647 -0.00000182 -0.00000316 0.00000150 Mo 4.72445895 4.73628591 1.59365002 -0.00000250 -0.00000252 0.00000163 Mo 3.14938158 3.16120792 3.15361380 -0.00000067 -0.00000228 0.00000058 Mo 4.72445736 4.73628249 4.73378355 -0.00000077 -0.00000246 0.00000061 Mo 3.14937968 3.16120321 6.30720762 0.00000083 -0.00000311 0.00000150 Mo 4.72445548 4.73627667 7.88284603 0.00000172 -0.00000334 0.00000055 Mo 3.14937821 3.16119614 9.45773070 0.00000056 -0.00000253 0.00000046 Mo 4.72445454 4.73626843 11.03287358 0.00000266 -0.00000280 0.00000054 Mo 3.14937805 3.16118677 12.60792793 0.00000234 -0.00000275 -0.00000014 Mo 4.72445544 4.73625792 14.18301354 0.00000257 -0.00000205 0.00000112 Mo 3.14937997 3.16117525 15.75808543 0.00000381 -0.00000126 0.00000005 Mo 4.72445854 4.73624563 17.33317117 0.00000106 0.00000021 -0.00000209 Mo 3.14938408 3.16116257 18.90822539 0.00000039 0.00000097 -0.00000010 Mo 4.72446331 4.73623301 20.48336824 -0.00000047 0.00000201 0.00000041 Mo 3.14938926 3.16115047 22.05825296 -0.00000015 0.00000261 -0.00000131 Mo 4.72446853 4.73622190 23.63389131 0.00000072 0.00000315 -0.00000141 Mo 3.14939434 3.16114077 25.20731538 -0.00000196 0.00000404 -0.00000092 Mo 4.72447312 4.73621380 26.78748508 -0.00000227 0.00000461 -0.00000015 Mo 3.14939780 3.16113485 28.34744884 -0.00000308 0.00000564 -0.00000099 Mo 4.72447530 4.73621023 29.91197242 -0.00000300 0.00000521 -0.00000178 Mo 3.14938262 6.31136339 0.02912649 -0.00000152 -0.00000327 0.00000101 Mo 4.72445887 7.88643929 1.59365003 -0.00000057 -0.00000301 0.00000137 Mo 3.14938154 6.31136137 3.15361375 0.00000025 -0.00000426 0.00000180 Mo 4.72445736 7.88643589 4.73378354 -0.00000076 -0.00000324 0.00000078 Mo 3.14937971 6.31135653 6.30720767 0.00000016 -0.00000187 0.00000020 Mo 4.72445550 7.88643001 7.88284601 0.00000103 -0.00000254 0.00000080 Mo 3.14937820 6.31134950 9.45773068 0.00000088 -0.00000234 0.00000111 Mo 4.72445456 7.88642179 11.03287357 0.00000194 -0.00000248 0.00000079 Mo 3.14937806 6.31134010 12.60792792 0.00000217 -0.00000175 0.00000010 Mo 4.72445547 7.88641126 14.18301361 0.00000182 -0.00000154 -0.00000064 Mo 3.14937999 6.31132866 15.75808544 0.00000319 -0.00000229 -0.00000033 Mo 4.72445846 7.88639906 17.33317107 0.00000307 -0.00000121 0.00000049 Mo 3.14938404 6.31131601 18.90822540 0.00000148 -0.00000063 -0.00000021 Mo 4.72446321 7.88638640 20.48336831 0.00000201 0.00000154 -0.00000150 Mo 3.14938927 6.31130381 22.05825295 -0.00000028 0.00000337 -0.00000111 Mo 4.72446866 7.88637525 23.63389127 -0.00000254 0.00000362 -0.00000028 Mo 3.14939435 6.31129407 25.20731537 -0.00000231 0.00000577 -0.00000072 Mo 4.72447318 7.88636711 26.78748512 -0.00000381 0.00000599 -0.00000131 Mo 3.14939780 6.31128823 28.34744885 -0.00000299 0.00000545 -0.00000123 Mo 4.72447533 7.88636359 29.91197239 -0.00000359 0.00000542 -0.00000111 Mo 6.29953599 0.01105665 0.02912647 -0.00000166 -0.00000332 0.00000144 Mo 7.87461226 1.58613257 1.59365002 -0.00000109 -0.00000334 0.00000145 Mo 6.29953496 0.01105458 3.15361379 -0.00000099 -0.00000300 0.00000069 Mo 7.87461072 1.58612912 4.73378355 -0.00000066 -0.00000223 0.00000063 Mo 6.29953308 0.01104980 6.30720762 -0.00000000 -0.00000218 0.00000133 Mo 7.87460888 1.58612329 7.88284600 0.00000073 -0.00000298 0.00000123 Mo 6.29953149 0.01104280 9.45773069 0.00000264 -0.00000310 0.00000066 Mo 7.87460790 1.58611509 11.03287360 0.00000266 -0.00000350 0.00000001 Mo 6.29953144 0.01103339 12.60792793 0.00000181 -0.00000247 -0.00000012 Mo 7.87460880 1.58610453 14.18301356 0.00000273 -0.00000168 0.00000039 Mo 6.29953340 0.01102187 15.75808544 0.00000231 -0.00000098 -0.00000032 Mo 7.87461187 1.58609226 17.33317111 0.00000202 0.00000018 -0.00000055 Mo 6.29953742 0.01100925 18.90822536 0.00000109 -0.00000017 0.00000062 Mo 7.87461668 1.58607962 20.48336828 -0.00000062 0.00000239 -0.00000071 Mo 6.29954261 0.01099709 22.05825300 0.00000029 0.00000288 -0.00000240 Mo 7.87462195 1.58606852 23.63389128 -0.00000065 0.00000358 -0.00000062 Mo 6.29954770 0.01098736 25.20731533 -0.00000190 0.00000514 0.00000026 Mo 7.87462646 1.58606051 26.78748513 -0.00000153 0.00000280 -0.00000139 Mo 6.29955116 0.01098150 28.34744886 -0.00000277 0.00000535 -0.00000157 Mo 7.87462868 1.58605687 29.91197238 -0.00000322 0.00000508 -0.00000099 Mo 6.29953599 3.16121002 0.02912651 -0.00000154 -0.00000326 0.00000053 Mo 7.87461222 4.73628592 1.59365003 -0.00000021 -0.00000290 0.00000129 Mo 6.29953495 3.16120797 3.15361374 -0.00000072 -0.00000355 0.00000205 Mo 7.87461069 4.73628252 4.73378352 0.00000020 -0.00000314 0.00000139 Mo 6.29953307 3.16120319 6.30720763 0.00000033 -0.00000261 0.00000108 Mo 7.87460890 4.73627663 7.88284607 0.00000035 -0.00000219 -0.00000048 Mo 6.29953156 3.16119615 9.45773071 0.00000091 -0.00000275 0.00000030 Mo 7.87460796 4.73626841 11.03287353 0.00000142 -0.00000219 0.00000192 Mo 6.29953141 3.16118672 12.60792792 0.00000253 -0.00000169 -0.00000000 Mo 7.87460880 4.73625792 14.18301361 0.00000292 -0.00000216 -0.00000061 Mo 6.29953339 3.16117525 15.75808543 0.00000241 -0.00000125 -0.00000001 Mo 7.87461185 4.73624569 17.33317111 0.00000246 -0.00000130 -0.00000057 Mo 6.29953737 3.16116265 18.90822541 0.00000252 -0.00000095 -0.00000042 Mo 7.87461659 4.73623304 20.48336827 0.00000159 0.00000124 -0.00000041 Mo 6.29954264 3.16115044 22.05825291 -0.00000026 0.00000328 -0.00000014 Mo 7.87462204 4.73622186 23.63389129 -0.00000276 0.00000425 -0.00000085 Mo 6.29954774 3.16114073 25.20731544 -0.00000276 0.00000488 -0.00000248 Mo 7.87462649 4.73621373 26.78748511 -0.00000225 0.00000634 -0.00000110 Mo 6.29955122 3.16113483 28.34744881 -0.00000426 0.00000626 -0.00000021 Mo 7.87462870 4.73621021 29.91197239 -0.00000379 0.00000564 -0.00000117 Mo 6.29953599 6.31136337 0.02912648 -0.00000166 -0.00000280 0.00000121 Mo 7.87461228 7.88643929 1.59365003 -0.00000160 -0.00000287 0.00000136 Mo 6.29953498 6.31136129 3.15361379 -0.00000147 -0.00000222 0.00000093 Mo 7.87461069 7.88643588 4.73378355 0.00000020 -0.00000301 0.00000048 Mo 6.29953306 6.31135659 6.30720762 0.00000053 -0.00000336 0.00000150 Mo 7.87460889 7.88643002 7.88284598 0.00000066 -0.00000290 0.00000176 Mo 6.29953152 6.31134950 9.45773070 0.00000205 -0.00000221 0.00000054 Mo 7.87460795 7.88642178 11.03287362 0.00000148 -0.00000219 -0.00000049 Mo 6.29953140 6.31134016 12.60792794 0.00000278 -0.00000316 -0.00000046 Mo 7.87460878 7.88641129 14.18301357 0.00000334 -0.00000225 0.00000020 Mo 6.29953343 6.31132864 15.75808541 0.00000158 -0.00000189 0.00000042 Mo 7.87461186 7.88639902 17.33317108 0.00000217 -0.00000028 0.00000007 Mo 6.29953743 6.31131586 18.90822542 0.00000099 0.00000292 -0.00000069 Mo 7.87461668 7.88638640 20.48336829 -0.00000054 0.00000157 -0.00000083 Mo 6.29954262 6.31130385 22.05825292 0.00000002 0.00000226 -0.00000034 Mo 7.87462194 7.88637526 23.63389130 -0.00000043 0.00000337 -0.00000113 Mo 6.29954768 6.31129417 25.20731541 -0.00000123 0.00000331 -0.00000186 Mo 7.87462648 7.88636712 26.78748511 -0.00000202 0.00000575 -0.00000093 Mo 6.29955116 6.31128828 28.34744882 -0.00000293 0.00000412 -0.00000058 Mo 7.87462868 7.88636359 29.91197239 -0.00000337 0.00000546 -0.00000111