252 Lattice="12.85502961237836 0.0 0.0 0.0 9.089878611266613 0.0 0.0 0.0 59.990138191099" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1314.385992138663 stress="0.001107046165335425 2.444645921329303e-13 -1.3126411219030819e-08 2.444645921329303e-13 0.003795469026822549 -1.0533101812641548e-06 -1.3126411219030819e-08 -1.0533101812641548e-06 7.153829857208144e-07" free_energy=-1314.385992138663 pbc="T T F" V -0.00103670 0.00862590 15.05457073 -0.00000017 -0.00000917 0.00000332 V 2.14146825 1.52360535 15.05457090 -0.00000018 -0.00000888 0.00000307 V 2.14146808 0.00861886 17.14139967 0.00000004 -0.00000808 0.00000296 V 4.28397304 1.52359830 17.14139976 -0.00000005 -0.00000778 0.00000310 V 4.28397292 0.00859862 19.28733665 0.00000010 -0.00000554 0.00000260 V 6.42647789 1.52357837 19.28733662 0.00000012 -0.00000556 0.00000260 V 6.42647788 0.00857269 21.42962327 0.00000018 -0.00000298 0.00000226 V 8.56898283 1.52355265 21.42962320 0.00000008 -0.00000310 0.00000233 V 8.56898297 0.00854327 23.57214513 -0.00000003 -0.00000058 0.00000188 V 10.71148788 1.52352321 23.57214511 0.00000006 -0.00000074 0.00000190 V 10.71148805 0.00851310 25.71465228 -0.00000015 0.00000140 0.00000111 V -0.00103663 1.52349287 25.71465228 -0.00000018 0.00000142 0.00000112 V -0.00103660 0.00848450 27.85716068 -0.00000030 0.00000305 0.00000058 V 2.14146834 1.52346415 27.85716070 -0.00000030 0.00000315 0.00000055 V 2.14146810 0.00845940 29.99966916 -0.00000032 0.00000427 -0.00000035 V 4.28397303 1.52343907 29.99966917 -0.00000027 0.00000435 -0.00000035 V 4.28397251 0.00843923 32.14217761 -0.00000007 0.00000490 -0.00000094 V 6.42647745 1.52341903 32.14217763 -0.00000019 0.00000484 -0.00000094 V 6.42647681 0.00842469 34.28468489 0.00000005 0.00000472 -0.00000183 V 8.56898172 1.52340458 34.28468486 0.00000018 0.00000461 -0.00000176 V 8.56898117 0.00841559 36.42720691 0.00000032 0.00000375 -0.00000233 V 10.71148612 1.52339544 36.42720684 0.00000018 0.00000367 -0.00000229 V 10.71148580 0.00841082 38.56949360 0.00000017 0.00000238 -0.00000274 V -0.00103886 1.52339052 38.56949353 0.00000031 0.00000246 -0.00000274 V -0.00103896 0.00840869 40.71543049 0.00000008 0.00000096 -0.00000301 V 2.14146600 1.52338826 40.71543057 0.00000009 0.00000123 -0.00000317 V 2.14146591 0.00840800 42.80225938 0.00000006 0.00000065 -0.00000325 V 4.28397084 1.52338765 42.80225955 0.00000009 0.00000082 -0.00000344 V -0.00103670 3.03858544 15.05457074 -0.00000018 -0.00000911 0.00000329 V 2.14146825 4.55356488 15.05457089 -0.00000018 -0.00000883 0.00000311 V 2.14146808 3.03857839 17.14139967 0.00000004 -0.00000806 0.00000304 V 4.28397304 4.55355784 17.14139976 -0.00000004 -0.00000777 0.00000300 V 4.28397292 3.03855817 19.28733666 0.00000007 -0.00000559 0.00000257 V 6.42647789 4.55353790 19.28733662 0.00000015 -0.00000556 0.00000264 V 6.42647788 3.03853223 21.42962327 0.00000019 -0.00000296 0.00000230 V 8.56898283 4.55351218 21.42962321 0.00000008 -0.00000310 0.00000227 V 8.56898297 3.03850281 23.57214514 -0.00000004 -0.00000063 0.00000186 V 10.71148787 4.55348275 23.57214511 0.00000011 -0.00000074 0.00000191 V 10.71148805 3.03847264 25.71465228 -0.00000012 0.00000140 0.00000110 V -0.00103663 4.55345241 25.71465229 -0.00000018 0.00000139 0.00000108 V -0.00103660 3.03844404 27.85716069 -0.00000029 0.00000302 0.00000055 V 2.14146834 4.55342369 27.85716070 -0.00000028 0.00000313 0.00000055 V 2.14146810 3.03841894 29.99966916 -0.00000031 0.00000426 -0.00000036 V 4.28397303 4.55339861 29.99966917 -0.00000028 0.00000434 -0.00000038 V 4.28397251 3.03839877 32.14217762 -0.00000008 0.00000485 -0.00000094 V 6.42647744 4.55337856 32.14217763 -0.00000016 0.00000487 -0.00000094 V 6.42647681 3.03838423 34.28468489 0.00000004 0.00000469 -0.00000180 V 8.56898172 4.55336412 34.28468487 0.00000018 0.00000458 -0.00000181 V 8.56898117 3.03837513 36.42720691 0.00000032 0.00000373 -0.00000236 V 10.71148612 4.55335497 36.42720683 0.00000019 0.00000371 -0.00000223 V 10.71148579 3.03837036 38.56949360 0.00000021 0.00000238 -0.00000274 V -0.00103885 4.55335007 38.56949353 0.00000024 0.00000235 -0.00000273 V -0.00103897 3.03836822 40.71543050 0.00000017 0.00000112 -0.00000319 V 2.14146600 4.55334779 40.71543055 0.00000001 0.00000127 -0.00000296 V 2.14146591 3.03836753 42.80225938 0.00000008 0.00000077 -0.00000325 V 4.28397084 4.55334718 42.80225956 0.00000007 0.00000085 -0.00000350 V -0.00103670 6.06854497 15.05457073 -0.00000018 -0.00000911 0.00000339 V 2.14146825 7.58352442 15.05457089 -0.00000018 -0.00000888 0.00000317 V 2.14146808 6.06853793 17.14139968 0.00000004 -0.00000803 0.00000291 V 4.28397304 7.58351738 17.14139977 -0.00000007 -0.00000782 0.00000296 V 4.28397292 6.06851770 19.28733665 0.00000007 -0.00000558 0.00000263 V 6.42647789 7.58349744 19.28733661 0.00000015 -0.00000551 0.00000268 V 6.42647788 6.06849177 21.42962327 0.00000021 -0.00000296 0.00000227 V 8.56898283 7.58347172 21.42962320 0.00000008 -0.00000315 0.00000228 V 8.56898297 6.06846235 23.57214513 -0.00000004 -0.00000059 0.00000186 V 10.71148788 7.58344228 23.57214511 0.00000008 -0.00000074 0.00000191 V 10.71148805 6.06843218 25.71465228 -0.00000012 0.00000140 0.00000111 V -0.00103663 7.58341195 25.71465228 -0.00000018 0.00000138 0.00000111 V -0.00103660 6.06840358 27.85716068 -0.00000031 0.00000306 0.00000056 V 2.14146834 7.58338322 27.85716070 -0.00000029 0.00000315 0.00000054 V 2.14146810 6.06837848 29.99966916 -0.00000032 0.00000426 -0.00000034 V 4.28397303 7.58335815 29.99966917 -0.00000027 0.00000434 -0.00000037 V 4.28397251 6.06835830 32.14217761 -0.00000009 0.00000489 -0.00000093 V 6.42647744 7.58333810 32.14217763 -0.00000016 0.00000486 -0.00000096 V 6.42647682 6.06834377 34.28468489 0.00000002 0.00000469 -0.00000184 V 8.56898172 7.58332366 34.28468487 0.00000020 0.00000461 -0.00000181 V 8.56898117 6.06833466 36.42720691 0.00000035 0.00000375 -0.00000228 V 10.71148612 7.58331452 36.42720683 0.00000019 0.00000365 -0.00000228 V 10.71148580 6.06832990 38.56949361 0.00000016 0.00000229 -0.00000285 V -0.00103886 7.58330960 38.56949354 0.00000029 0.00000241 -0.00000278 V -0.00103897 6.06832776 40.71543048 0.00000023 0.00000107 -0.00000293 V 2.14146600 7.58330734 40.71543055 0.00000000 0.00000111 -0.00000292 V 2.14146591 6.06832707 42.80225939 0.00000006 0.00000073 -0.00000342 V 4.28397084 7.58330673 42.80225956 0.00000006 0.00000076 -0.00000350 V 4.28397314 0.00862521 15.05457100 -0.00000015 -0.00000860 0.00000293 V 6.42647801 1.52360493 15.05457096 -0.00000003 -0.00000852 0.00000295 V 6.42647798 0.00861849 17.14139971 0.00000005 -0.00000776 0.00000308 V 8.56898293 1.52359855 17.14139957 -0.00000007 -0.00000803 0.00000308 V 8.56898284 0.00859882 19.28733651 -0.00000001 -0.00000573 0.00000278 V 10.71148774 1.52357885 19.28733643 0.00000018 -0.00000592 0.00000292 V 10.71148773 0.00857309 21.42962316 0.00000024 -0.00000330 0.00000231 V -0.00103696 1.52355288 21.42962318 0.00000011 -0.00000334 0.00000228 V -0.00103681 0.00854345 23.57214512 0.00000001 -0.00000075 0.00000187 V 2.14146811 1.52352306 23.57214516 0.00000012 -0.00000063 0.00000183 V 2.14146830 0.00851297 25.71465231 -0.00000010 0.00000150 0.00000109 V 4.28397325 1.52349260 25.71465232 -0.00000019 0.00000160 0.00000108 V 4.28397328 0.00848427 27.85716071 -0.00000032 0.00000323 0.00000053 V 6.42647822 1.52346404 27.85716071 -0.00000030 0.00000324 0.00000053 V 6.42647797 0.00845932 29.99966917 -0.00000031 0.00000432 -0.00000035 V 8.56898289 1.52343921 29.99966917 -0.00000026 0.00000424 -0.00000036 V 8.56898236 0.00843937 32.14217762 -0.00000008 0.00000474 -0.00000094 V 10.71148730 1.52341923 32.14217759 -0.00000015 0.00000471 -0.00000093 V 10.71148666 0.00842490 34.28468482 0.00000006 0.00000453 -0.00000174 V -0.00103801 1.52340463 34.28468480 0.00000016 0.00000455 -0.00000173 V -0.00103854 0.00841562 36.42720679 0.00000033 0.00000372 -0.00000224 V 2.14146644 1.52339525 36.42720682 0.00000012 0.00000382 -0.00000220 V 2.14146612 0.00841059 38.56949359 0.00000016 0.00000260 -0.00000287 V 4.28397106 1.52339028 38.56949371 0.00000022 0.00000258 -0.00000291 V 4.28397093 0.00840838 40.71543073 0.00000014 0.00000131 -0.00000319 V 6.42647585 1.52338824 40.71543083 0.00000004 0.00000127 -0.00000330 V 6.42647584 0.00840798 42.80225965 -0.00000001 0.00000071 -0.00000350 V 8.56898082 1.52338797 42.80225957 -0.00000003 0.00000052 -0.00000341 V 4.28397314 3.03858474 15.05457100 -0.00000014 -0.00000853 0.00000291 V 6.42647802 4.55356446 15.05457095 -0.00000004 -0.00000849 0.00000301 V 6.42647799 3.03857803 17.14139971 0.00000001 -0.00000775 0.00000309 V 8.56898293 4.55355808 17.14139958 -0.00000006 -0.00000800 0.00000305 V 8.56898284 3.03855836 19.28733651 0.00000003 -0.00000571 0.00000279 V 10.71148774 4.55353839 19.28733642 0.00000014 -0.00000597 0.00000295 V 10.71148774 3.03853262 21.42962316 0.00000020 -0.00000329 0.00000230 V -0.00103696 4.55351241 21.42962318 0.00000011 -0.00000330 0.00000230 V -0.00103681 3.03850299 23.57214512 0.00000001 -0.00000073 0.00000190 V 2.14146811 4.55348260 23.57214516 0.00000010 -0.00000063 0.00000184 V 2.14146830 3.03847251 25.71465231 -0.00000014 0.00000151 0.00000110 V 4.28397325 4.55345214 25.71465232 -0.00000018 0.00000163 0.00000109 V 4.28397328 3.03844380 27.85716071 -0.00000031 0.00000325 0.00000054 V 6.42647822 4.55342358 27.85716071 -0.00000030 0.00000323 0.00000053 V 6.42647797 3.03841886 29.99966918 -0.00000032 0.00000433 -0.00000038 V 8.56898289 4.55339874 29.99966917 -0.00000025 0.00000424 -0.00000036 V 8.56898236 3.03839891 32.14217762 -0.00000004 0.00000478 -0.00000094 V 10.71148730 4.55337877 32.14217759 -0.00000015 0.00000467 -0.00000093 V 10.71148666 3.03838444 34.28468482 0.00000004 0.00000452 -0.00000177 V -0.00103801 4.55336416 34.28468480 0.00000018 0.00000457 -0.00000175 V -0.00103855 3.03837516 36.42720679 0.00000033 0.00000371 -0.00000220 V 2.14146643 4.55335479 36.42720682 0.00000016 0.00000383 -0.00000225 V 2.14146613 3.03837014 38.56949359 0.00000008 0.00000246 -0.00000281 V 4.28397105 4.55334981 38.56949372 0.00000028 0.00000258 -0.00000300 V 4.28397093 3.03836792 40.71543073 0.00000016 0.00000127 -0.00000317 V 6.42647585 4.55334778 40.71543083 0.00000005 0.00000122 -0.00000325 V 6.42647583 3.03836752 42.80225965 -0.00000002 0.00000074 -0.00000353 V 8.56898083 4.55334750 42.80225957 -0.00000006 0.00000056 -0.00000338 V 4.28397314 6.06854428 15.05457100 -0.00000014 -0.00000855 0.00000300 V 6.42647801 7.58352401 15.05457095 -0.00000003 -0.00000855 0.00000302 V 6.42647799 6.06853757 17.14139972 -0.00000000 -0.00000777 0.00000298 V 8.56898293 7.58351761 17.14139958 -0.00000006 -0.00000794 0.00000298 V 8.56898284 6.06851790 19.28733650 0.00000001 -0.00000575 0.00000287 V 10.71148774 7.58349792 19.28733642 0.00000016 -0.00000593 0.00000299 V 10.71148774 6.06849216 21.42962316 0.00000019 -0.00000328 0.00000229 V -0.00103696 7.58347195 21.42962318 0.00000010 -0.00000329 0.00000227 V -0.00103681 6.06846253 23.57214512 0.00000000 -0.00000077 0.00000191 V 2.14146811 7.58344214 23.57214516 0.00000012 -0.00000061 0.00000185 V 2.14146830 6.06843204 25.71465231 -0.00000012 0.00000151 0.00000108 V 4.28397325 7.58341167 25.71465232 -0.00000020 0.00000163 0.00000108 V 4.28397328 6.06840334 27.85716071 -0.00000030 0.00000323 0.00000053 V 6.42647822 7.58338312 27.85716071 -0.00000031 0.00000323 0.00000054 V 6.42647797 6.06837839 29.99966918 -0.00000031 0.00000434 -0.00000037 V 8.56898289 7.58335828 29.99966917 -0.00000027 0.00000424 -0.00000035 V 8.56898236 6.06835844 32.14217762 -0.00000007 0.00000477 -0.00000094 V 10.71148730 7.58333830 32.14217759 -0.00000016 0.00000469 -0.00000091 V 10.71148666 6.06834397 34.28468482 0.00000006 0.00000455 -0.00000174 V -0.00103800 7.58332370 34.28468480 0.00000016 0.00000458 -0.00000173 V -0.00103854 6.06833469 36.42720679 0.00000030 0.00000374 -0.00000221 V 2.14146644 7.58331433 36.42720682 0.00000014 0.00000384 -0.00000221 V 2.14146613 6.06832967 38.56949359 0.00000010 0.00000255 -0.00000287 V 4.28397105 7.58330934 38.56949372 0.00000028 0.00000267 -0.00000302 V 4.28397093 6.06832746 40.71543072 0.00000012 0.00000129 -0.00000301 V 6.42647585 7.58330732 40.71543083 0.00000004 0.00000117 -0.00000324 V 6.42647584 6.06832705 42.80225965 -0.00000003 0.00000073 -0.00000356 V 8.56898082 7.58330704 42.80225957 -0.00000002 0.00000056 -0.00000343 V 8.56898294 0.00862549 15.05457079 -0.00000002 -0.00000881 0.00000324 V 10.71148792 1.52360562 15.05457069 -0.00000008 -0.00000911 0.00000334 V 10.71148785 0.00861910 17.14139949 -0.00000000 -0.00000826 0.00000298 V -0.00103684 1.52359890 17.14139953 -0.00000005 -0.00000827 0.00000304 V -0.00103697 0.00859911 19.28733646 0.00000009 -0.00000594 0.00000294 V 2.14146795 1.52357865 19.28733658 0.00000022 -0.00000576 0.00000271 V 2.14146796 0.00857292 21.42962325 0.00000021 -0.00000315 0.00000228 V 4.28397293 1.52355248 21.42962329 0.00000009 -0.00000298 0.00000227 V 4.28397307 0.00854313 23.57214519 -0.00000002 -0.00000049 0.00000181 V 6.42647802 1.52352288 23.57214518 0.00000008 -0.00000046 0.00000182 V 6.42647819 0.00851283 25.71465232 -0.00000013 0.00000163 0.00000109 V 8.56898313 1.52349273 25.71465230 -0.00000020 0.00000150 0.00000108 V 8.56898315 0.00848439 27.85716070 -0.00000031 0.00000314 0.00000055 V 10.71148808 1.52346428 27.85716068 -0.00000029 0.00000302 0.00000056 V 10.71148783 0.00845953 29.99966915 -0.00000030 0.00000417 -0.00000036 V -0.00103685 1.52343929 29.99966915 -0.00000027 0.00000416 -0.00000035 V -0.00103737 0.00843943 32.14217758 -0.00000006 0.00000471 -0.00000090 V 2.14146758 1.52341909 32.14217759 -0.00000016 0.00000480 -0.00000092 V 2.14146696 0.00842474 34.28468482 -0.00000000 0.00000466 -0.00000177 V 4.28397189 1.52340442 34.28468487 0.00000017 0.00000475 -0.00000183 V 4.28397136 0.00841540 36.42720689 0.00000028 0.00000386 -0.00000223 V 6.42647628 1.52339522 36.42720695 0.00000018 0.00000386 -0.00000236 V 6.42647597 0.00841057 38.56949378 0.00000012 0.00000253 -0.00000302 V 8.56898085 1.52339050 38.56949372 0.00000034 0.00000243 -0.00000287 V 8.56898075 0.00840866 40.71543076 0.00000025 0.00000109 -0.00000325 V 10.71148571 1.52338855 40.71543059 0.00000002 0.00000088 -0.00000323 V 10.71148577 0.00840832 42.80225940 -0.00000005 0.00000041 -0.00000332 V -0.00103897 1.52338799 42.80225929 0.00000002 0.00000049 -0.00000309 V 8.56898294 3.03858502 15.05457080 -0.00000004 -0.00000877 0.00000317 V 10.71148792 4.55356515 15.05457068 -0.00000006 -0.00000905 0.00000339 V 10.71148784 3.03857863 17.14139948 0.00000003 -0.00000824 0.00000306 V -0.00103684 4.55355844 17.14139953 -0.00000006 -0.00000826 0.00000294 V -0.00103697 3.03855865 19.28733646 0.00000009 -0.00000599 0.00000288 V 2.14146795 4.55353819 19.28733657 0.00000023 -0.00000579 0.00000275 V 2.14146796 3.03853246 21.42962325 0.00000023 -0.00000315 0.00000227 V 4.28397293 4.55351202 21.42962329 0.00000009 -0.00000298 0.00000226 V 4.28397307 3.03850266 23.57214519 -0.00000000 -0.00000049 0.00000178 V 6.42647802 4.55348242 23.57214518 0.00000006 -0.00000048 0.00000181 V 6.42647819 3.03847237 25.71465232 -0.00000013 0.00000162 0.00000109 V 8.56898313 4.55345227 25.71465229 -0.00000020 0.00000151 0.00000111 V 8.56898315 3.03844393 27.85716070 -0.00000032 0.00000314 0.00000055 V 10.71148808 4.55342381 27.85716068 -0.00000031 0.00000305 0.00000056 V 10.71148783 3.03841907 29.99966915 -0.00000031 0.00000416 -0.00000033 V -0.00103685 4.55339882 29.99966915 -0.00000026 0.00000418 -0.00000033 V -0.00103737 3.03839897 32.14217758 -0.00000008 0.00000473 -0.00000091 V 2.14146758 4.55337862 32.14217759 -0.00000019 0.00000482 -0.00000091 V 2.14146696 3.03838427 34.28468482 0.00000002 0.00000468 -0.00000176 V 4.28397189 4.55336396 34.28468486 0.00000014 0.00000474 -0.00000178 V 4.28397136 3.03837493 36.42720690 0.00000029 0.00000394 -0.00000230 V 6.42647628 4.55335476 36.42720694 0.00000013 0.00000385 -0.00000233 V 6.42647596 3.03837011 38.56949378 0.00000016 0.00000256 -0.00000296 V 8.56898085 4.55335004 38.56949372 0.00000035 0.00000245 -0.00000289 V 8.56898076 3.03836820 40.71543076 0.00000014 0.00000104 -0.00000334 V 10.71148570 4.55334808 40.71543060 0.00000008 0.00000096 -0.00000327 V 10.71148577 3.03836786 42.80225939 -0.00000006 0.00000045 -0.00000316 V -0.00103897 4.55334752 42.80225930 0.00000008 0.00000060 -0.00000319 V 8.56898294 6.06854456 15.05457079 -0.00000003 -0.00000877 0.00000323 V 10.71148792 7.58352470 15.05457068 -0.00000007 -0.00000910 0.00000342 V 10.71148784 6.06853817 17.14139949 0.00000006 -0.00000825 0.00000291 V -0.00103685 7.58351798 17.14139954 -0.00000003 -0.00000833 0.00000288 V -0.00103697 6.06851818 19.28733646 0.00000011 -0.00000596 0.00000293 V 2.14146795 7.58349773 19.28733657 0.00000022 -0.00000579 0.00000276 V 2.14146796 6.06849200 21.42962325 0.00000023 -0.00000316 0.00000225 V 4.28397293 7.58347156 21.42962329 0.00000010 -0.00000299 0.00000226 V 4.28397307 6.06846220 23.57214519 0.00000000 -0.00000048 0.00000181 V 6.42647802 7.58344196 23.57214517 0.00000007 -0.00000048 0.00000181 V 6.42647819 6.06843190 25.71465232 -0.00000014 0.00000162 0.00000109 V 8.56898313 7.58341181 25.71465229 -0.00000019 0.00000152 0.00000110 V 8.56898315 6.06840347 27.85716070 -0.00000031 0.00000312 0.00000055 V 10.71148808 7.58338335 27.85716068 -0.00000029 0.00000304 0.00000056 V 10.71148783 6.06837861 29.99966915 -0.00000030 0.00000415 -0.00000036 V -0.00103685 7.58335836 29.99966915 -0.00000026 0.00000417 -0.00000035 V -0.00103737 6.06835851 32.14217758 -0.00000005 0.00000470 -0.00000091 V 2.14146758 7.58333816 32.14217759 -0.00000018 0.00000480 -0.00000091 V 2.14146696 6.06834381 34.28468482 0.00000003 0.00000465 -0.00000177 V 4.28397189 7.58332350 34.28468486 0.00000014 0.00000471 -0.00000181 V 4.28397136 6.06833447 36.42720690 0.00000028 0.00000389 -0.00000228 V 6.42647628 7.58331429 36.42720694 0.00000015 0.00000386 -0.00000228 V 6.42647596 6.06832965 38.56949379 0.00000020 0.00000257 -0.00000303 V 8.56898085 7.58330958 38.56949373 0.00000030 0.00000239 -0.00000294 V 8.56898076 6.06832774 40.71543076 0.00000012 0.00000106 -0.00000329 V 10.71148570 7.58330760 40.71543058 0.00000010 0.00000109 -0.00000306 V 10.71148576 6.06832739 42.80225940 -0.00000003 0.00000050 -0.00000322 V -0.00103897 7.58330706 42.80225931 0.00000004 0.00000052 -0.00000328