180 Lattice="9.439676910638811 0.0 0.0 0.0 9.439676910638811 0.0 0.0 0.0 62.931179404258735" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1193.0576848320002 stress="0.0054959834363428085 2.539277474535931e-13 3.316665074654475e-07 2.539277474535931e-13 0.005495983427666676 -1.5178538753094501e-06 3.316665074654475e-07 -1.5178538753094501e-06 -2.852292487984627e-09" free_energy=-1193.0576848320002 pbc="T T F" Mo -0.00078289 0.01108742 15.73948900 0.00000105 -0.00000760 0.00000044 Mo 1.57249686 1.58436522 17.32540547 0.00000138 -0.00000745 -0.00000093 Mo -0.00078208 0.01108252 18.89791983 0.00000074 -0.00000696 0.00000078 Mo 1.57249819 1.58435757 20.45840809 0.00000064 -0.00000793 0.00000187 Mo -0.00078016 0.01107183 22.03360721 0.00000273 -0.00000515 -0.00000219 Mo 1.57250085 1.58434393 23.60619014 0.00000216 -0.00000409 -0.00000071 Mo -0.00077677 0.01105601 25.17988816 0.00000166 -0.00000449 0.00000073 Mo 1.57250488 1.58432621 26.75303903 0.00000115 -0.00000247 0.00000008 Mo -0.00077220 0.01103684 28.32636709 0.00000031 -0.00000103 -0.00000001 Mo 1.57250983 1.58430610 29.89962397 0.00000041 -0.00000003 -0.00000088 Mo -0.00076703 0.01101629 31.47291788 -0.00000112 0.00000024 0.00000107 Mo 1.57251500 1.58428556 33.04617475 -0.00000127 0.00000117 0.00000077 Mo -0.00076212 0.01099619 34.61950285 -0.00000097 0.00000320 -0.00000111 Mo 1.57251950 1.58426643 36.19265368 -0.00000149 0.00000394 0.00000018 Mo -0.00075818 0.01097852 37.76635174 -0.00000090 0.00000397 -0.00000003 Mo 1.57252279 1.58425062 39.33893470 -0.00000145 0.00000590 -0.00000025 Mo -0.00075554 0.01096494 40.91413372 -0.00000171 0.00000694 0.00000049 Mo 1.57252470 1.58423999 42.47462201 -0.00000141 0.00000630 0.00000004 Mo -0.00075427 0.01095729 44.04713642 -0.00000146 0.00000777 -0.00000018 Mo 1.57252546 1.58423511 45.63305285 -0.00000103 0.00000741 -0.00000003 Mo -0.00078289 3.15764639 15.73948901 0.00000106 -0.00000758 0.00000019 Mo 1.57249686 4.73092419 17.32540544 0.00000139 -0.00000769 0.00000040 Mo -0.00078208 3.15764146 18.89791986 0.00000072 -0.00000562 -0.00000057 Mo 1.57249819 4.73091649 20.45840812 0.00000060 -0.00000556 0.00000038 Mo -0.00078015 3.15763082 22.03360716 0.00000247 -0.00000567 0.00000012 Mo 1.57250085 4.73090292 23.60619014 0.00000204 -0.00000502 -0.00000090 Mo -0.00077676 3.15761497 25.17988817 0.00000130 -0.00000383 0.00000034 Mo 1.57250488 4.73088518 26.75303905 0.00000104 -0.00000261 -0.00000062 Mo -0.00077220 3.15759585 28.32636709 0.00000032 -0.00000252 -0.00000007 Mo 1.57250983 4.73086509 29.89962394 0.00000046 -0.00000053 0.00000072 Mo -0.00076704 3.15757524 31.47291791 -0.00000053 0.00000102 -0.00000015 Mo 1.57251499 4.73084453 33.04617475 -0.00000107 0.00000132 0.00000079 Mo -0.00076214 3.15755517 34.61950283 -0.00000028 0.00000307 -0.00000026 Mo 1.57251949 4.73082541 36.19265368 -0.00000134 0.00000362 -0.00000022 Mo -0.00075818 3.15753748 37.76635173 -0.00000087 0.00000486 0.00000056 Mo 1.57252279 4.73080960 39.33893472 -0.00000151 0.00000522 -0.00000128 Mo -0.00075553 3.15752394 40.91413373 -0.00000244 0.00000568 -0.00000021 Mo 1.57252470 4.73079892 42.47462201 -0.00000158 0.00000833 0.00000035 Mo -0.00075426 3.15751628 44.04713641 -0.00000199 0.00000694 -0.00000005 Mo 1.57252546 4.73079408 45.63305284 -0.00000106 0.00000749 0.00000044 Mo -0.00078289 6.30420535 15.73948902 0.00000109 -0.00000739 -0.00000016 Mo 1.57249686 7.87748314 17.32540547 0.00000138 -0.00000678 -0.00000095 Mo -0.00078209 6.30420049 18.89791983 0.00000093 -0.00000811 0.00000054 Mo 1.57249820 7.87747546 20.45840810 0.00000051 -0.00000552 0.00000126 Mo -0.00078016 6.30418979 22.03360718 0.00000273 -0.00000593 -0.00000085 Mo 1.57250086 7.87746189 23.60619011 0.00000186 -0.00000501 0.00000034 Mo -0.00077676 6.30417392 25.17988816 0.00000142 -0.00000290 0.00000087 Mo 1.57250488 7.87744416 26.75303906 0.00000093 -0.00000304 -0.00000117 Mo -0.00077219 6.30415479 28.32636709 0.00000012 -0.00000135 -0.00000007 Mo 1.57250983 7.87742407 29.89962395 0.00000059 -0.00000105 0.00000023 Mo -0.00076703 6.30413423 31.47291792 -0.00000100 0.00000043 -0.00000053 Mo 1.57251498 7.87740347 33.04617477 -0.00000075 0.00000249 0.00000012 Mo -0.00076213 6.30411416 34.61950283 -0.00000067 0.00000191 -0.00000022 Mo 1.57251949 7.87738438 36.19265365 -0.00000113 0.00000370 0.00000125 Mo -0.00075818 6.30409644 37.76635173 -0.00000079 0.00000531 0.00000020 Mo 1.57252280 7.87736857 39.33893473 -0.00000164 0.00000562 -0.00000178 Mo -0.00075554 6.30408289 40.91413369 -0.00000191 0.00000636 0.00000159 Mo 1.57252471 7.87735794 42.47462201 -0.00000189 0.00000600 0.00000012 Mo -0.00075427 6.30407525 44.04713644 -0.00000164 0.00000713 -0.00000129 Mo 1.57252546 7.87735304 45.63305283 -0.00000112 0.00000758 0.00000054 Mo 3.14577608 0.01108742 15.73948900 0.00000118 -0.00000760 0.00000049 Mo 4.71905585 1.58436522 17.32540544 0.00000040 -0.00000748 0.00000008 Mo 3.14577685 0.01108252 18.89791985 0.00000250 -0.00000691 -0.00000026 Mo 4.71905714 1.58435757 20.45840813 0.00000186 -0.00000790 0.00000002 Mo 3.14577885 0.01107183 22.03360719 0.00000077 -0.00000492 -0.00000084 Mo 4.71905982 1.58434393 23.60619013 0.00000220 -0.00000392 -0.00000048 Mo 3.14578222 0.01105600 25.17988818 0.00000071 -0.00000417 0.00000022 Mo 4.71906385 1.58432620 26.75303901 0.00000096 -0.00000235 0.00000121 Mo 3.14578675 0.01103684 28.32636708 0.00000123 -0.00000098 0.00000030 Mo 4.71906882 1.58430611 29.89962398 -0.00000034 -0.00000021 -0.00000108 Mo 3.14579191 0.01101630 31.47291789 0.00000029 -0.00000016 0.00000054 Mo 4.71907395 1.58428557 33.04617477 -0.00000073 0.00000075 0.00000024 Mo 3.14579685 0.01099621 34.61950284 -0.00000097 0.00000269 -0.00000074 Mo 4.71907845 1.58426644 36.19265370 -0.00000067 0.00000371 -0.00000081 Mo 3.14580083 0.01097853 37.76635174 -0.00000263 0.00000387 -0.00000009 Mo 4.71908176 1.58425061 39.33893465 -0.00000143 0.00000616 0.00000182 Mo 3.14580341 0.01096493 40.91413372 -0.00000078 0.00000736 0.00000016 Mo 4.71908369 1.58423998 42.47462202 -0.00000235 0.00000679 -0.00000042 Mo 3.14580469 0.01095729 44.04713641 -0.00000095 0.00000810 0.00000016 Mo 4.71908443 1.58423510 45.63305286 -0.00000112 0.00000750 -0.00000048 Mo 3.14577608 3.15764639 15.73948901 0.00000117 -0.00000757 0.00000024 Mo 4.71905585 4.73092419 17.32540541 0.00000054 -0.00000781 0.00000141 Mo 3.14577685 3.15764146 18.89791988 0.00000248 -0.00000563 -0.00000161 Mo 4.71905713 4.73091650 20.45840816 0.00000200 -0.00000570 -0.00000147 Mo 3.14577885 3.15763082 22.03360713 0.00000088 -0.00000575 0.00000146 Mo 4.71905982 4.73090292 23.60619014 0.00000206 -0.00000494 -0.00000067 Mo 3.14578222 3.15761497 25.17988818 0.00000090 -0.00000396 -0.00000016 Mo 4.71906386 4.73088517 26.75303902 0.00000070 -0.00000236 0.00000051 Mo 3.14578675 3.15759585 28.32636708 0.00000121 -0.00000256 0.00000024 Mo 4.71906882 4.73086508 29.89962394 -0.00000038 -0.00000036 0.00000052 Mo 3.14579192 3.15757524 31.47291792 -0.00000004 0.00000117 -0.00000068 Mo 4.71907395 4.73084453 33.04617477 -0.00000049 0.00000128 0.00000026 Mo 3.14579685 3.15755516 34.61950282 -0.00000135 0.00000328 0.00000011 Mo 4.71907844 4.73082542 36.19265371 -0.00000042 0.00000345 -0.00000121 Mo 3.14580083 3.15753747 37.76635173 -0.00000262 0.00000491 0.00000049 Mo 4.71908176 4.73080961 39.33893468 -0.00000149 0.00000508 0.00000079 Mo 3.14580340 3.15752394 40.91413374 -0.00000032 0.00000553 -0.00000053 Mo 4.71908370 4.73079892 42.47462202 -0.00000260 0.00000827 -0.00000011 Mo 3.14580468 3.15751628 44.04713641 -0.00000063 0.00000681 0.00000029 Mo 4.71908443 4.73079408 45.63305285 -0.00000117 0.00000749 -0.00000002 Mo 3.14577608 6.30420535 15.73948901 0.00000114 -0.00000739 -0.00000011 Mo 4.71905585 7.87748314 17.32540544 0.00000052 -0.00000662 0.00000006 Mo 3.14577685 6.30420049 18.89791986 0.00000231 -0.00000816 -0.00000050 Mo 4.71905713 7.87747546 20.45840814 0.00000213 -0.00000542 -0.00000059 Mo 3.14577885 6.30418980 22.03360716 0.00000084 -0.00000608 0.00000049 Mo 4.71905981 7.87746190 23.60619011 0.00000242 -0.00000527 0.00000057 Mo 3.14578221 6.30417392 25.17988817 0.00000109 -0.00000308 0.00000037 Mo 4.71906385 7.87744417 26.75303904 0.00000094 -0.00000341 -0.00000005 Mo 3.14578675 6.30415479 28.32636708 0.00000145 -0.00000135 0.00000024 Mo 4.71906883 7.87742407 29.89962395 -0.00000070 -0.00000104 0.00000003 Mo 3.14579192 6.30413422 31.47291793 0.00000003 0.00000069 -0.00000106 Mo 4.71907396 7.87740346 33.04617478 -0.00000122 0.00000293 -0.00000041 Mo 3.14579686 6.30411416 34.61950282 -0.00000147 0.00000221 0.00000015 Mo 4.71907845 7.87738437 36.19265367 -0.00000086 0.00000409 0.00000026 Mo 3.14580083 6.30409644 37.76635173 -0.00000279 0.00000536 0.00000014 Mo 4.71908175 7.87736857 39.33893469 -0.00000110 0.00000550 0.00000029 Mo 3.14580340 6.30408290 40.91413370 -0.00000042 0.00000609 0.00000126 Mo 4.71908368 7.87735795 42.47462202 -0.00000181 0.00000557 -0.00000034 Mo 3.14580468 6.30407525 44.04713643 -0.00000065 0.00000692 -0.00000095 Mo 4.71908443 7.87735305 45.63305284 -0.00000102 0.00000750 0.00000008 Mo 6.29233505 0.01108742 15.73948901 0.00000126 -0.00000763 -0.00000012 Mo 7.86561478 1.58436522 17.32540546 0.00000195 -0.00000747 -0.00000050 Mo 6.29233585 0.01108253 18.89791982 0.00000088 -0.00000712 0.00000103 Mo 7.86561610 1.58435757 20.45840813 0.00000199 -0.00000781 0.00000017 Mo 6.29233781 0.01107184 22.03360718 0.00000123 -0.00000519 -0.00000064 Mo 7.86561883 1.58434392 23.60619011 0.00000030 -0.00000374 0.00000030 Mo 6.29234117 0.01105601 25.17988820 0.00000184 -0.00000430 -0.00000073 Mo 7.86562282 1.58432620 26.75303902 0.00000123 -0.00000223 0.00000065 Mo 6.29234574 0.01103684 28.32636709 0.00000060 -0.00000079 -0.00000018 Mo 7.86562777 1.58430611 29.89962397 0.00000062 -0.00000034 -0.00000075 Mo 6.29235089 0.01101629 31.47291788 -0.00000001 0.00000031 0.00000122 Mo 7.86563291 1.58428557 33.04617478 -0.00000026 0.00000043 -0.00000037 Mo 6.29235583 0.01099620 34.61950282 -0.00000151 0.00000308 0.00000013 Mo 7.86563745 1.58426644 36.19265368 -0.00000212 0.00000351 -0.00000002 Mo 6.29235976 0.01097853 37.76635175 -0.00000116 0.00000380 -0.00000067 Mo 7.86564074 1.58425061 39.33893467 -0.00000182 0.00000629 0.00000102 Mo 6.29236240 0.01096494 40.91413375 -0.00000193 0.00000683 -0.00000101 Mo 7.86564261 1.58423998 42.47462201 -0.00000026 0.00000709 0.00000002 Mo 6.29236366 0.01095729 44.04713639 -0.00000119 0.00000775 0.00000104 Mo 7.86564340 1.58423510 45.63305286 -0.00000120 0.00000755 -0.00000048 Mo 6.29233505 3.15764639 15.73948902 0.00000126 -0.00000753 -0.00000037 Mo 7.86561479 4.73092419 17.32540543 0.00000180 -0.00000781 0.00000083 Mo 6.29233585 3.15764146 18.89791985 0.00000092 -0.00000544 -0.00000031 Mo 7.86561611 4.73091650 20.45840816 0.00000188 -0.00000583 -0.00000132 Mo 6.29233781 3.15763082 22.03360713 0.00000138 -0.00000574 0.00000166 Mo 7.86561882 4.73090292 23.60619012 0.00000056 -0.00000524 0.00000011 Mo 6.29234116 3.15761497 25.17988820 0.00000201 -0.00000420 -0.00000111 Mo 7.86562281 4.73088518 26.75303904 0.00000160 -0.00000259 -0.00000005 Mo 6.29234574 3.15759585 28.32636709 0.00000060 -0.00000275 -0.00000024 Mo 7.86562777 4.73086508 29.89962394 0.00000061 -0.00000017 0.00000084 Mo 6.29235090 3.15757524 31.47291790 -0.00000027 0.00000128 -0.00000001 Mo 7.86563292 4.73084451 33.04617478 -0.00000071 0.00000181 -0.00000035 Mo 6.29235584 3.15755516 34.61950280 -0.00000182 0.00000357 0.00000098 Mo 7.86563746 4.73082541 36.19265369 -0.00000251 0.00000381 -0.00000042 Mo 6.29235977 3.15753747 37.76635174 -0.00000120 0.00000502 -0.00000008 Mo 7.86564074 4.73080961 39.33893469 -0.00000171 0.00000489 -0.00000001 Mo 6.29236240 3.15752394 40.91413376 -0.00000165 0.00000532 -0.00000171 Mo 7.86564260 4.73079893 42.47462201 0.00000017 0.00000779 0.00000033 Mo 6.29236366 3.15751629 44.04713639 -0.00000098 0.00000664 0.00000118 Mo 7.86564340 4.73079408 45.63305285 -0.00000111 0.00000740 -0.00000001 Mo 6.29233505 6.30420535 15.73948903 0.00000126 -0.00000740 -0.00000072 Mo 7.86561479 7.87748314 17.32540546 0.00000184 -0.00000664 -0.00000051 Mo 6.29233585 6.30420049 18.89791983 0.00000088 -0.00000813 0.00000079 Mo 7.86561611 7.87747546 20.45840814 0.00000185 -0.00000538 -0.00000044 Mo 6.29233782 6.30418979 22.03360715 0.00000115 -0.00000582 0.00000069 Mo 7.86561883 7.87746189 23.60619009 0.00000039 -0.00000515 0.00000135 Mo 6.29234117 6.30417391 25.17988819 0.00000170 -0.00000272 -0.00000058 Mo 7.86562281 7.87744417 26.75303905 0.00000147 -0.00000330 -0.00000061 Mo 6.29234574 6.30415479 28.32636709 0.00000056 -0.00000136 -0.00000024 Mo 7.86562776 7.87742407 29.89962395 0.00000079 -0.00000109 0.00000036 Mo 6.29235089 6.30413423 31.47291791 0.00000013 0.00000010 -0.00000039 Mo 7.86563291 7.87740346 33.04617479 -0.00000029 0.00000273 -0.00000102 Mo 6.29235582 6.30411417 34.61950280 -0.00000131 0.00000153 0.00000102 Mo 7.86563745 7.87738437 36.19265366 -0.00000229 0.00000394 0.00000105 Mo 6.29235976 6.30409644 37.76635175 -0.00000110 0.00000532 -0.00000043 Mo 7.86564074 7.87736857 39.33893470 -0.00000197 0.00000556 -0.00000051 Mo 6.29236241 6.30408288 40.91413373 -0.00000208 0.00000682 0.00000008 Mo 7.86564262 7.87735795 42.47462201 -0.00000032 0.00000575 0.00000010 Mo 6.29236366 6.30407524 44.04713642 -0.00000131 0.00000745 -0.00000007 Mo 7.86564340 7.87735304 45.63305284 -0.00000120 0.00000753 0.00000008