180 Lattice="9.442243538796903 0.0 0.0 0.0 9.442243538796903 0.0 0.0 0.0 62.94829025864602" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1212.394007559213 stress="0.006590924582079889 -4.848549916094797e-13 -1.3879437284947266e-07 -4.848549916094797e-13 0.006590924584993346 7.510904753281391e-07 -1.3879437284947266e-07 7.510904753281391e-07 -6.778906798452338e-08" pbc="T T F" Mo -0.00076309 0.01099819 15.77650689 -0.00000092 0.00000356 0.00000032 Mo 1.57294394 1.58470647 17.28836530 -0.00000241 0.00000421 -0.00000037 Mo -0.00076359 0.01100003 18.89527908 -0.00000156 0.00000558 -0.00000109 Mo 1.57294323 1.58470913 20.46510102 -0.00000064 0.00000164 -0.00000175 Mo -0.00076459 0.01100409 22.03899763 0.00000005 0.00000141 -0.00000022 Mo 1.57294201 1.58471409 23.61306118 0.00000023 0.00000120 0.00000080 Mo -0.00076603 0.01101008 25.18660091 0.00000017 -0.00000001 0.00000023 Mo 1.57294038 1.58472082 26.76035001 -0.00000031 0.00000004 0.00000037 Mo -0.00076782 0.01101717 28.33405293 -0.00000069 -0.00000004 -0.00000088 Mo 1.57293835 1.58472803 29.90775747 0.00000176 -0.00000008 0.00000072 Mo -0.00076981 0.01102425 31.48146748 0.00000134 -0.00000048 0.00000120 Mo 1.57293667 1.58473484 33.05517224 0.00000011 -0.00000251 -0.00000205 Mo -0.00077133 0.01103060 34.62887508 0.00000144 -0.00000316 -0.00000202 Mo 1.57293530 1.58474054 36.20262400 0.00000419 -0.00000250 0.00000134 Mo -0.00077218 0.01103580 37.77616367 0.00000335 -0.00000322 0.00000137 Mo 1.57293500 1.58474535 39.35022736 0.00000310 -0.00000439 -0.00000095 Mo -0.00077210 0.01104009 40.92412397 0.00000146 -0.00000488 -0.00000023 Mo 1.57293535 1.58474884 42.49394579 0.00000116 -0.00000104 0.00000123 Mo -0.00077168 0.01104259 44.10085954 -0.00000144 -0.00000325 0.00000080 Mo 1.57293595 1.58475185 45.61271793 -0.00000075 -0.00000403 0.00000031 Mo -0.00076301 3.15841276 15.77650686 -0.00000130 0.00000235 0.00000068 Mo 1.57294381 4.73212105 17.28836530 -0.00000027 0.00000276 -0.00000080 Mo -0.00076353 3.15841475 18.89527916 -0.00000249 0.00000164 -0.00000277 Mo 1.57294320 4.73212341 20.46510088 0.00000018 0.00000655 0.00000103 Mo -0.00076451 3.15841842 22.03899760 -0.00000133 0.00000514 0.00000028 Mo 1.57294205 4.73212842 23.61306129 -0.00000045 0.00000502 -0.00000152 Mo -0.00076595 3.15842451 25.18660087 -0.00000129 0.00000171 0.00000095 Mo 1.57294041 4.73213525 26.76034993 -0.00000110 0.00000155 0.00000198 Mo -0.00076786 3.15843162 28.33405289 0.00000029 0.00000132 -0.00000001 Mo 1.57293842 4.73214263 29.90775759 0.00000039 -0.00000198 -0.00000163 Mo -0.00076974 3.15843887 31.48146749 0.00000000 -0.00000270 0.00000109 Mo 1.57293665 4.73214940 33.05517214 0.00000064 -0.00000337 -0.00000002 Mo -0.00077125 3.15844497 34.62887514 -0.00000001 -0.00000044 -0.00000300 Mo 1.57293544 4.73215493 36.20262408 0.00000159 -0.00000008 -0.00000022 Mo -0.00077206 3.15845018 37.77616368 0.00000085 -0.00000065 0.00000104 Mo 1.57293511 4.73215970 39.35022728 0.00000106 -0.00000137 0.00000057 Mo -0.00077203 3.15845436 40.92412388 0.00000015 -0.00000015 0.00000164 Mo 1.57293549 4.73216345 42.49394575 -0.00000143 -0.00000303 0.00000201 Mo -0.00077177 3.15845704 44.10085958 0.00000049 -0.00000218 0.00000017 Mo 1.57293602 4.73216642 45.61271797 -0.00000127 -0.00000509 -0.00000055 Mo -0.00076311 6.30582724 15.77650694 -0.00000082 0.00000291 -0.00000091 Mo 1.57294384 7.87953547 17.28836529 -0.00000130 0.00000477 -0.00000049 Mo -0.00076360 6.30582912 18.89527898 -0.00000132 0.00000452 0.00000077 Mo 1.57294320 7.87953807 20.46510085 -0.00000018 0.00000346 0.00000152 Mo -0.00076462 6.30583298 22.03899761 0.00000082 0.00000430 0.00000007 Mo 1.57294206 7.87954305 23.61306121 -0.00000088 0.00000263 0.00000022 Mo -0.00076599 6.30583889 25.18660093 -0.00000054 0.00000434 -0.00000005 Mo 1.57294042 7.87954978 26.76035019 -0.00000144 0.00000111 -0.00000297 Mo -0.00076785 6.30584628 28.33405292 -0.00000010 -0.00000170 -0.00000062 Mo 1.57293850 7.87955709 29.90775746 -0.00000124 -0.00000081 0.00000082 Mo -0.00076981 6.30585332 31.48146761 0.00000109 -0.00000132 -0.00000148 Mo 1.57293668 7.87956371 33.05517213 0.00000004 0.00000065 0.00000001 Mo -0.00077131 6.30585955 34.62887486 0.00000098 -0.00000160 0.00000236 Mo 1.57293550 7.87956956 36.20262404 0.00000043 -0.00000226 0.00000053 Mo -0.00077203 6.30586471 37.77616382 0.00000041 -0.00000080 -0.00000150 Mo 1.57293509 7.87957413 39.35022728 0.00000141 0.00000058 0.00000069 Mo -0.00077203 6.30586893 40.92412385 0.00000024 -0.00000142 0.00000223 Mo 1.57293553 7.87957803 42.49394592 -0.00000225 -0.00000432 -0.00000115 Mo -0.00077175 6.30587164 44.10085962 0.00000031 -0.00000383 -0.00000040 Mo 1.57293602 7.87958094 45.61271789 -0.00000157 -0.00000516 0.00000104 Mo 3.14665144 0.01099825 15.77650692 -0.00000128 0.00000313 -0.00000079 Mo 4.72035836 1.58470640 17.28836529 -0.00000062 0.00000556 -0.00000043 Mo 3.14665096 0.01100011 18.89527896 -0.00000225 0.00000425 0.00000107 Mo 4.72035772 1.58470902 20.46510090 -0.00000013 0.00000390 0.00000082 Mo 3.14664996 0.01100404 22.03899762 -0.00000068 0.00000239 -0.00000015 Mo 4.72035656 1.58471397 23.61306131 -0.00000055 0.00000368 -0.00000177 Mo 3.14664861 0.01101006 25.18660095 -0.00000227 0.00000040 -0.00000060 Mo 4.72035494 1.58472076 26.76034994 -0.00000146 0.00000112 0.00000174 Mo 3.14664666 0.01101703 28.33405292 0.00000004 0.00000294 -0.00000046 Mo 4.72035298 1.58472804 29.90775759 -0.00000044 -0.00000008 -0.00000161 Mo 3.14664485 0.01102420 31.48146754 -0.00000158 0.00000052 -0.00000004 Mo 4.72035116 1.58473474 33.05517210 0.00000083 -0.00000059 0.00000064 Mo 3.14664317 0.01103049 34.62887497 0.00000160 -0.00000115 0.00000017 Mo 4.72034998 1.58474053 36.20262408 0.00000090 -0.00000226 -0.00000031 Mo 3.14664249 0.01103566 37.77616364 0.00000005 -0.00000038 0.00000189 Mo 4.72034971 1.58474526 39.35022728 -0.00000101 -0.00000252 0.00000045 Mo 3.14664243 0.01103997 40.92412407 0.00000113 -0.00000250 -0.00000205 Mo 4.72034989 1.58474897 42.49394577 0.00000050 -0.00000314 0.00000149 Mo 3.14664273 0.01104250 44.10085957 0.00000069 -0.00000136 0.00000071 Mo 4.72035047 1.58475196 45.61271793 -0.00000070 -0.00000485 -0.00000013 Mo 3.14665149 3.15841277 15.77650687 -0.00000115 0.00000285 0.00000032 Mo 4.72035835 4.73212103 17.28836523 -0.00000059 0.00000326 0.00000046 Mo 3.14665085 3.15841462 18.89527911 0.00000024 0.00000443 -0.00000173 Mo 4.72035774 4.73212348 20.46510101 -0.00000052 0.00000484 -0.00000151 Mo 3.14664990 3.15841849 22.03899757 0.00000089 0.00000391 0.00000081 Mo 4.72035658 4.73212855 23.61306118 -0.00000084 0.00000217 0.00000055 Mo 3.14664847 3.15842448 25.18660094 0.00000054 0.00000217 -0.00000055 Mo 4.72035490 4.73213526 26.76035011 -0.00000059 0.00000143 -0.00000151 Mo 3.14664670 3.15843175 28.33405282 -0.00000065 -0.00000118 0.00000156 Mo 4.72035299 4.73214266 29.90775744 -0.00000093 -0.00000252 0.00000123 Mo 3.14664475 3.15843884 31.48146763 0.00000040 -0.00000200 -0.00000179 Mo 4.72035109 4.73214929 33.05517218 0.00000206 -0.00000131 -0.00000066 Mo 3.14664316 3.15844506 34.62887497 0.00000190 -0.00000205 0.00000021 Mo 4.72034998 4.73215493 36.20262402 0.00000114 -0.00000001 0.00000072 Mo 3.14664240 3.15845028 37.77616375 0.00000183 -0.00000261 -0.00000025 Mo 4.72034956 4.73215963 39.35022734 0.00000247 0.00000020 -0.00000069 Mo 3.14664245 3.15845450 40.92412388 0.00000084 -0.00000295 0.00000159 Mo 4.72035001 4.73216357 42.49394585 -0.00000157 -0.00000494 0.00000014 Mo 3.14664280 3.15845712 44.10085960 -0.00000060 -0.00000331 0.00000011 Mo 4.72035055 4.73216653 45.61271789 -0.00000160 -0.00000599 0.00000099 Mo 3.14665139 6.30582733 15.77650698 -0.00000046 0.00000212 -0.00000102 Mo 4.72035832 7.87953556 17.28836528 -0.00000060 0.00000294 -0.00000047 Mo 3.14665081 6.30582921 18.89527895 0.00000051 0.00000284 0.00000134 Mo 4.72035779 7.87953808 20.46510089 -0.00000176 0.00000309 0.00000072 Mo 3.14665006 6.30583297 22.03899766 -0.00000251 0.00000449 -0.00000087 Mo 4.72035661 7.87954302 23.61306120 -0.00000170 0.00000311 0.00000046 Mo 3.14664852 6.30583894 25.18660095 -0.00000039 0.00000343 -0.00000052 Mo 4.72035488 7.87954984 26.76035017 -0.00000014 0.00000008 -0.00000245 Mo 3.14664673 6.30584631 28.33405294 -0.00000136 -0.00000222 -0.00000090 Mo 4.72035287 7.87955707 29.90775749 0.00000156 -0.00000037 0.00000022 Mo 3.14664467 6.30585340 31.48146755 0.00000172 -0.00000301 -0.00000022 Mo 4.72035111 7.87956391 33.05517204 0.00000166 -0.00000327 0.00000175 Mo 3.14664312 6.30585957 34.62887491 0.00000273 -0.00000199 0.00000126 Mo 4.72034988 7.87956957 36.20262409 0.00000297 -0.00000256 -0.00000065 Mo 3.14664236 6.30586476 37.77616373 0.00000286 -0.00000172 0.00000004 Mo 4.72034964 7.87957432 39.35022725 0.00000064 -0.00000303 0.00000130 Mo 3.14664246 6.30586893 40.92412401 0.00000074 -0.00000110 -0.00000083 Mo 4.72034986 7.87957787 42.49394596 0.00000125 -0.00000071 -0.00000204 Mo 3.14664287 6.30587170 44.10085954 -0.00000195 -0.00000481 0.00000102 Mo 4.72035049 7.87958097 45.61271786 -0.00000073 -0.00000452 0.00000161 Mo 6.29406589 0.01099817 15.77650696 -0.00000013 0.00000347 -0.00000092 Mo 7.86777284 1.58470644 17.28836520 0.00000018 0.00000441 0.00000083 Mo 6.29406529 0.01100005 18.89527899 0.00000132 0.00000523 0.00000059 Mo 7.86777232 1.58470906 20.46510108 -0.00000193 0.00000303 -0.00000282 Mo 6.29406454 0.01100395 22.03899763 -0.00000191 0.00000423 -0.00000033 Mo 7.86777115 1.58471402 23.61306120 -0.00000210 0.00000256 0.00000043 Mo 6.29406300 0.01101007 25.18660098 0.00000006 0.00000034 -0.00000102 Mo 7.86776936 1.58472078 26.76035000 0.00000038 0.00000059 0.00000050 Mo 6.29406116 0.01101713 28.33405284 0.00000021 0.00000084 0.00000106 Mo 7.86776750 1.58472808 29.90775747 -0.00000068 -0.00000097 0.00000061 Mo 6.29405918 0.01102426 31.48146761 0.00000212 -0.00000068 -0.00000147 Mo 7.86776561 1.58473470 33.05517220 0.00000204 0.00000017 -0.00000122 Mo 6.29405773 0.01103055 34.62887489 0.00000087 -0.00000241 0.00000157 Mo 7.86776458 1.58474051 36.20262409 -0.00000071 -0.00000185 -0.00000059 Mo 6.29405696 0.01103578 37.77616382 0.00000075 -0.00000270 -0.00000155 Mo 7.86776412 1.58474517 39.35022731 0.00000120 -0.00000070 -0.00000000 Mo 6.29405703 0.01104004 40.92412386 -0.00000073 -0.00000370 0.00000220 Mo 7.86776449 1.58474896 42.49394574 -0.00000132 -0.00000315 0.00000227 Mo 6.29405727 0.01104254 44.10085958 0.00000017 -0.00000184 0.00000013 Mo 7.86776501 1.58475194 45.61271798 -0.00000120 -0.00000505 -0.00000039 Mo 6.29406599 3.15841271 15.77650689 -0.00000091 0.00000310 0.00000037 Mo 7.86777292 4.73212103 17.28836528 -0.00000163 0.00000266 -0.00000016 Mo 6.29406541 3.15841459 18.89527908 -0.00000061 0.00000451 -0.00000103 Mo 7.86777235 4.73212348 20.46510098 -0.00000250 0.00000471 -0.00000086 Mo 6.29406457 3.15841850 22.03899761 -0.00000235 0.00000334 0.00000020 Mo 7.86777112 4.73212849 23.61306124 -0.00000140 0.00000339 -0.00000031 Mo 6.29406308 3.15842444 25.18660098 -0.00000135 0.00000297 -0.00000137 Mo 7.86776936 4.73213525 26.76034999 0.00000033 0.00000165 0.00000078 Mo 6.29406117 3.15843176 28.33405284 -0.00000003 -0.00000144 0.00000086 Mo 7.86776738 4.73214264 29.90775754 0.00000148 -0.00000206 -0.00000073 Mo 6.29405920 3.15843881 31.48146751 0.00000155 -0.00000144 0.00000062 Mo 7.86776568 4.73214948 33.05517213 0.00000041 -0.00000489 0.00000030 Mo 6.29405767 3.15844504 34.62887507 0.00000198 -0.00000178 -0.00000167 Mo 7.86776447 4.73215494 36.20262406 0.00000145 -0.00000009 0.00000011 Mo 6.29405693 3.15845017 37.77616369 0.00000139 -0.00000010 0.00000081 Mo 7.86776422 4.73215972 39.35022729 -0.00000053 -0.00000135 0.00000025 Mo 6.29405696 3.15845447 40.92412395 0.00000081 -0.00000194 0.00000019 Mo 7.86776428 4.73216347 42.49394585 0.00000314 -0.00000308 -0.00000003 Mo 6.29405731 3.15845723 44.10085957 -0.00000050 -0.00000519 0.00000053 Mo 7.86776500 4.73216646 45.61271789 -0.00000042 -0.00000519 0.00000074 Mo 6.29406593 6.30582724 15.77650693 -0.00000088 0.00000258 -0.00000053 Mo 7.86777281 7.87953542 17.28836526 -0.00000017 0.00000510 -0.00000012 Mo 6.29406544 6.30582923 18.89527898 -0.00000167 0.00000214 0.00000068 Mo 7.86777225 7.87953802 20.46510096 -0.00000064 0.00000419 -0.00000053 Mo 6.29406450 6.30583300 22.03899768 -0.00000113 0.00000345 -0.00000114 Mo 7.86777105 7.87954302 23.61306117 0.00000005 0.00000304 0.00000120 Mo 6.29406308 6.30583896 25.18660091 -0.00000125 0.00000273 0.00000042 Mo 7.86776937 7.87954982 26.76035011 0.00000023 0.00000043 -0.00000144 Mo 6.29406111 6.30584620 28.33405296 0.00000122 0.00000005 -0.00000141 Mo 7.86776743 7.87955705 29.90775752 0.00000055 0.00000008 -0.00000046 Mo 6.29405931 6.30585337 31.48146749 -0.00000066 -0.00000239 0.00000082 Mo 7.86776564 7.87956377 33.05517209 0.00000139 -0.00000047 0.00000087 Mo 6.29405777 6.30585951 34.62887493 0.00000014 -0.00000096 0.00000088 Mo 7.86776451 7.87956958 36.20262407 0.00000083 -0.00000287 -0.00000021 Mo 6.29405699 6.30586476 37.77616370 0.00000058 -0.00000195 0.00000074 Mo 7.86776414 7.87957431 39.35022728 0.00000103 -0.00000322 0.00000070 Mo 6.29405698 6.30586893 40.92412410 0.00000065 -0.00000109 -0.00000254 Mo 7.86776437 7.87957794 42.49394586 0.00000118 -0.00000238 -0.00000004 Mo 6.29405724 6.30587161 44.10085954 0.00000095 -0.00000273 0.00000113 Mo 7.86776501 7.87958095 45.61271793 -0.00000081 -0.00000466 0.00000036