504 Lattice="25.991410617358312 0.0 0.0 0.0 18.378702700138092 0.0 0.0 0.0 121.29324954767212" Properties=species:S:1:pos:R:3:forces:R:3 energy=-767.0702791234925 stress="-0.0003980831528726394 -5.755579219071758e-14 2.652496289013016e-07 -5.755579219071758e-14 0.00048542272396595744 2.9022948678246697e-10 2.652496289013016e-07 2.9022948678246697e-10 1.5782377284760496e-08" pbc="T T F" Sr 0.04769113 0.00654069 29.78615138 0.00000887 -0.00000004 0.00000011 Sr 4.37953304 0.00654007 29.78591144 0.00000879 0.00000006 0.00000013 Sr 2.21351951 3.07379905 32.33764321 0.00000912 -0.00000002 0.00000019 Sr 6.54512245 3.07213861 32.33900147 0.00000858 0.00000013 0.00000006 Sr 4.37913937 0.00654045 34.58167972 0.00000832 0.00000024 0.00000027 Sr 8.71129018 0.00654056 34.58299110 0.00000922 -0.00000034 0.00000003 Sr 6.54562153 3.06851631 36.79443991 0.00000733 0.00000006 0.00000026 Sr 10.87751795 3.06855336 36.79483601 0.00000976 -0.00000037 0.00000033 Sr 8.70820681 0.00654068 38.96955563 0.00000820 -0.00000046 0.00000009 Sr 13.03996371 0.00654025 38.96955346 0.00000697 0.00000101 -0.00000009 Sr 10.86678791 3.06943770 41.14307070 0.00000784 0.00000014 -0.00000031 Sr 15.19859567 3.06928765 41.14293603 0.00000387 0.00000066 -0.00000048 Sr 13.02151361 0.00654042 43.31134030 0.00000282 0.00000041 0.00000041 Sr 17.35332984 0.00654079 43.31117781 0.00000454 -0.00000131 0.00000060 Sr 15.17294460 3.06966383 45.47940917 -0.00000152 -0.00000033 0.00000087 Sr 19.50484897 3.06951887 45.47938372 0.00000285 -0.00000061 -0.00000002 Sr 17.32377036 0.00654072 47.64693297 -0.00000170 -0.00000029 -0.00000037 Sr 21.65571097 0.00654026 47.64695359 -0.00000251 0.00000065 -0.00000044 Sr 19.47458986 3.06964141 49.81455760 -0.00000287 0.00000016 0.00000024 Sr 23.80650866 3.06962781 49.81456918 -0.00000491 0.00000007 0.00000077 Sr 21.62536189 0.00654008 51.98201023 -0.00000564 0.00000025 0.00000013 Sr -0.03413091 0.00653948 51.98201091 -0.00000545 0.00000044 -0.00000011 Sr 23.77658652 3.06965980 54.14958507 -0.00000567 0.00000027 -0.00000087 Sr 2.11707870 3.06966117 54.14957870 -0.00000709 0.00000056 -0.00000065 Sr -0.06031472 0.00653803 56.31673397 -0.00000699 0.00000004 0.00000056 Sr 4.27158588 0.00653984 56.31672268 -0.00000575 -0.00000083 0.00000053 Sr 2.09856344 3.06966047 58.48341967 -0.00000879 -0.00000020 0.00000068 Sr 6.43046336 3.06965729 58.48342148 -0.00000494 -0.00000059 -0.00000045 Sr 4.26462705 0.00653844 60.65033094 -0.00000605 -0.00000068 -0.00000042 Sr 8.59653037 0.00654146 60.65033229 -0.00000795 0.00000039 0.00000022 Sr 6.43787893 3.06965676 62.81703077 -0.00000455 -0.00000031 0.00000039 Sr 10.76978182 3.06965580 62.81703574 -0.00000886 0.00000015 0.00000122 Sr 8.61549876 0.00653345 64.98418057 -0.00000756 0.00000099 -0.00000051 Sr 12.94739801 0.00653103 64.98418114 -0.00000649 0.00000003 -0.00000052 Sr 10.79640896 3.06965706 67.15177046 -0.00000785 0.00000055 -0.00000091 Sr 15.12829136 3.06965746 67.15177145 -0.00000591 0.00000028 -0.00000043 Sr 12.97775104 0.00648969 69.31919338 -0.00000591 -0.00000051 0.00000082 Sr 17.30963600 0.00651611 69.31919888 -0.00000600 -0.00000018 0.00000023 Sr 15.15905347 3.06965806 71.48679272 -0.00000556 -0.00000027 0.00000015 Sr 19.49092213 3.06965830 71.48681592 -0.00000439 -0.00000049 -0.00000014 Sr 17.34028198 0.00653499 73.65433814 -0.00000239 -0.00000035 -0.00000040 Sr 21.67218768 0.00667984 73.65436391 -0.00000379 0.00000038 0.00000009 Sr 19.52083468 3.06965816 75.82256868 0.00000097 -0.00000005 -0.00000010 Sr 23.85282021 3.06965799 75.82263577 -0.00000231 0.00000056 0.00000024 Sr 21.69814667 0.00722342 77.99097346 0.00000069 0.00000067 -0.00000018 Sr 0.03873024 0.00738398 77.99100192 0.00000163 -0.00000071 -0.00000019 Sr 23.87147935 3.06965810 80.16514344 0.00000088 0.00000004 -0.00000023 Sr 2.21221316 3.06965818 80.16514063 0.00000447 -0.00000036 -0.00000010 Sr 0.04966509 0.00813743 82.33995062 0.00000402 -0.00000045 -0.00000005 Sr 4.38159379 0.00792789 82.33982689 0.00000342 0.00000064 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-0.00000004 Sr 8.70808951 6.13206842 38.96989220 0.00000764 0.00000103 0.00000056 Sr 13.04006456 6.13207549 38.96989358 0.00000755 -0.00000144 0.00000063 Sr 10.86676915 9.19589201 41.14284565 0.00000413 -0.00000078 0.00000022 Sr 15.19886057 9.19589188 41.14311523 0.00000794 0.00000009 -0.00000005 Sr 13.02161929 6.13275954 43.31115755 0.00000317 -0.00000140 -0.00000052 Sr 17.35356351 6.13254399 43.31123807 0.00000388 0.00000175 -0.00000053 Sr 15.17309059 9.19589167 45.47935402 0.00000270 0.00000071 0.00000031 Sr 19.50498599 9.19589202 45.47940426 -0.00000119 -0.00000048 0.00000053 Sr 17.32387249 6.13275927 47.64690874 -0.00000189 0.00000150 0.00000054 Sr 21.65575496 6.13269648 47.64689820 -0.00000201 -0.00000077 0.00000001 Sr 19.47463610 9.19589194 49.81453296 -0.00000539 -0.00000015 -0.00000051 Sr 23.80650383 9.19589228 49.81450894 -0.00000316 0.00000054 -0.00000092 Sr 21.62537250 6.13276839 51.98197087 -0.00000553 -0.00000094 0.00000018 Sr -0.03414504 6.13277146 51.98197019 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4.38159372 6.13138849 82.33982667 0.00000358 -0.00000093 0.00000000 Sr 2.21602643 9.19534206 84.54638046 0.00000336 -0.00000019 -0.00000024 Sr 6.54817356 9.19547839 84.54690769 0.00000503 0.00000006 -0.00000024 Sr 4.38147682 6.13691692 86.79610258 0.00000441 -0.00000029 -0.00000025 Sr 8.71307970 6.13525657 86.79474429 0.00000442 0.00000028 -0.00000021 Sr 6.54768965 9.20508210 89.34816734 0.00000462 0.00000001 -0.00000022 Sr 10.87956067 9.19879701 89.34821838 0.00000448 -0.00000003 -0.00000018 Sr 0.04778021 12.24802256 29.78545473 0.00000877 -0.00000001 0.00000017 Sr 4.37971123 12.24981987 29.78557859 0.00000887 -0.00000004 0.00000011 Sr 2.21351938 15.31798457 32.33764336 0.00000881 0.00000014 0.00000018 Sr 6.54512230 15.31964483 32.33900203 0.00000890 -0.00000013 0.00000010 Sr 4.38025368 12.25942278 34.58683802 0.00000925 0.00000022 0.00000013 Sr 8.71203089 12.25954531 34.58618939 0.00000845 -0.00000017 0.00000034 Sr 6.54562120 15.32326755 36.79444024 0.00000861 -0.00000051 -0.00000002 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