Open Access
Table A.2.
Energy (AU) of the optimized local minima
| Local minima | Si | Ca | Al | C | O | N | Fe | S | Mg |
|---|---|---|---|---|---|---|---|---|---|
| 1 | -1587,57197 | -1586,43520 | -1586,94069 | -1587,68063 | -1590,05078 | -1588,47314 | -1588,48376 | -1589,21380 | -1586,26415 |
| 2 | -1587,57408 | -1586,51035 | -1586,94619 | -1587,41236 | -1590,07185 | -1588,49840 | -1588,49295 | -1589,12350 | -1586,27012 |
| 3 | -1587,57394 | -1586,51295 | -1587,01553 | -1587,55914 | -1590,02947 | -1588,61208 | -1588,49726 | -1589,17549 | -1586,30910 |
| 4 | -1587,85320 | -1586,51297 | -1587,01599 | -1587,43612 | -1590,07881 | -1588,56633 | -1588,49308 | -1589,20361 | -1586,30917 |
| 5 | -1587,66498 | -1586,51288 | -1587,01554 | -1587,44646 | -1590,06885 | -1588,57209 | -1588,48616 | -1589,19951 | -1586,30905 |
| 6 | -1587,51906 | -1586,51287 | -1587,01561 | -1587,66274 | -1590,11872 | -1588,74516 | -1588,49612 | -1589,15286 | -1586,25808 |
| 7 | -1587,63315 | -1586,53064 | -1587,00357 | -1587,65334 | -1590,11516 | -1588,64517 | -1588,46946 | -1589,20583 | -1586,25232 |
| 8 | -1587,77407 | -1586,56464 | -1586,93288 | -1587,62225 | -1590,17463 | -1588,52945 | -1588,48852 | -1589,15284 | -1586,25808 |
| 9 | -1587,55254 | -1586,50760 | -1586,95394 | -1587,71753 | -1590,04917 | -1588,50977 | -1588,53231 | -1589,17836 | -1586,28358 |
| 10 | -1587,55255 | -1586,60454 | -1586,94931 | -1587,58038 | -1590,16946 | -1588,58353 | -1588,45917 | -1589,17830 | -1586,26081 |
| 11 | -1587,53765 | -1586,52136 | -1586,94909 | -1587,37626 | -1590,07134 | -1588,53831 | -1588,58229 | -1589,10841 | -1586,26413 |
| 12 | -1587,62155 | -1586,51307 | -1586,99655 | -1587,67536 | -1590,09900 | -1588,62520 | -1588,47149 | -1589,16328 | -1586,30943 |
| 13 | -1587,65296 | -1586,51855 | -1586,92955 | -1587,45528 | -1590,11327 | -1588,64112 | -1588,45923 | -1589,18610 | -1586,30995 |
| 14 | -1587,59729 | -1586,51295 | -1586,95135 | -1587,65702 | -1590,08769 | -1588,48353 | -1588,41727 | -1589,16951 | -1586,31264 |
| 15 | -1587,52730 | -1586,50313 | -1586,91442 | -1587,51599 | -1590,04153 | -1588,58050 | -1588,41716 | -1589,14571 | -1586,26478 |
| 16 | -1587,67907 | -1586,51847 | -1586,91445 | -1587,49040 | -1590,20923 | -1588,50964 | -1588,46343 | -1589,16663 | -1586,24756 |
| 17 | -1587,57969 | -1586,60491 | -1586,93618 | -1587,52589 | -1590,16097 | -1588,51602 | -1588,46879 | -1589,11020 | -1586,24766 |
| 18 | -1587,59548 | -1586,56503 | -1587,10361 | -1587,53377 | -1590,05867 | -1588,53834 | -1588,48881 | -1589,16829 | -1586,28353 |
| 19 | -1587,55946 | -1586,63673 | -1587,10015 | -1587,53381 | -1590,25111 | -1588,62950 | -1588,59915 | -1589,17823 | -1586,25250 |
| 20 | -1587,55919 | -1586,49354 | -1587,02863 | -1587,37626 | -1590,08387 | -1588,64395 | -1588,50735 | -1589,10832 | -1586,28352 |
| 21 | -1587,54976 | -1586,66949 | -1587,00532 | -1587,57577 | -1590,08394 | -1588,64401 | -1588,49066 | -1589,39089 | -1586,30797 |
| 22 | -1587,55252 | -1586,57526 | -1586,96750 | -1587,59189 | -1590,11063 | -1588,56888 | -1588,46776 | -1589,18113 | -1586,25613 |
| 23 | -1587,70270 | -1586,50309 | -1587,01058 | -1587,66884 | -1590,13844 | -1588,67764 | -1588,59274 | -1589,16729 | -1586,25900 |
| 24 | -1587,46423 | -1586,49638 | -1587,02335 | -1587,66882 | -1590,11399 | -1588,65654 | -1588,55846 | -1589,20494 | -1586,25908 |
| 25 | -1587,75822 | -1586,70809 | -1586,99238 | -1587,66498 | -1590,17439 | -1588,52653 | -1588,50977 | -1589,21545 | -1586,26400 |
| 26 | -1587,67905 | -1586,73681 | -1586,96213 | -1587,55198 | -1590,21039 | -1588,53743 | -1588,46348 | -1589,14066 | -1586,25050 |
| 27 | -1587,62170 | -1586,67851 | -1586,96240 | -1587,52920 | -1590,04491 | -1588,53746 | -1588,46346 | -1589,19987 | -1586,25436 |
| 28 | -1587,60229 | -1586,49350 | -1587,02870 | -1587,80413 | -1590,06556 | -1588,56437 | -1588,51676 | -1589,20337 | -1586,26380 |
| 29 | -1587,90180 | -1586,49334 | -1587,02894 | -1587,41975 | -1590,06553 | -1588,63531 | -1588,55182 | -1589,14189 | -1586,26486 |
| 30 | -1587,85049 | -1586,65882 | -1587,08660 | -1587,42023 | -1590,10893 | -1588,57572 | -1588,59007 | -1589,15613 | -1586,37527 |
| 31 | -1587,60271 | -1586,46618 | -1586,98353 | -1587,41996 | -1590,08914 | -1588,56967 | -1588,51005 | -1589,15616 | -1586,26472 |
| 32 | -1587,61288 | -1586,51736 | -1587,01117 | -1587,54294 | -1590,04939 | -1588,65587 | -1588,44760 | -1589,15606 | -1586,25914 |
| 33 | -1587,56276 | -1586,46504 | -1586,98737 | -1587,68584 | -1590,16782 | -1588,59731 | -1588,55853 | -1589,19139 | -1586,25918 |
| 34 | -1587,73739 | -1586,50292 | -1587,04011 | -1587,59553 | -1590,06586 | -1588,71220 | -1588,55694 | -1589,26418 | -1586,26476 |
| 35 | -1587,56268 | -1586,66882 | -1586,98714 | -1587,52550 | -1590,11592 | -1588,58626 | -1588,55867 | -1589,14155 | -1586,26472 |
| 36 | -1587,78476 | -1586,73681 | -1586,95712 | -1587,60796 | -1590,20469 | -1588,57470 | -1588,47421 | -1589,12536 | -1586,26791 |
| 37 | -1587,55132 | -1586,79424 | -1586,96680 | -1587,58447 | -1590,06582 | -1588,58620 | -1588,47747 | -1589,19822 | -1586,27978 |
| 38 | -1587,62811 | -1586,79425 | -1587,09545 | -1587,66925 | -1590,06832 | -1588,57091 | -1588,55101 | -1589,17041 | -1586,33918 |
| 39 | -1587,63085 | -1586,49344 | -1587,12790 | -1587,75252 | -1590,08602 | -1588,68798 | -1588,67352 | -1589,22159 | -1586,26471 |
| 40 | -1587,55468 | -1586,70162 | -1587,08327 | -1587,61011 | -1590,10298 | -1588,64686 | -1588,56963 | -1589,24943 | -1586,30178 |
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