Open Access
Table A.3.
Energy (AU) of the optimized local minima ( Continue....)
| Local minima | Si | Ca | Al | C | O | N | Fe | S | Mg |
|---|---|---|---|---|---|---|---|---|---|
| 41 | -1587,67768 | -1586,58395 | -1587,01326 | -1587,70182 | -1590,15897 | -1588,64689 | -1588,55097 | -1589,18998 | -1586,26860 |
| 42 | -1587,56317 | -1586,53454 | -1586,94418 | -1587,43518 | -1590,16594 | -1588,62185 | -1588,54635 | -1589,21148 | -1586,26853 |
| 43 | -1587,58595 | -1586,86235 | -1587,03447 | -1587,45210 | -1590,16715 | -1588,64802 | -1588,44238 | -1589,21263 | -1586,26509 |
| 44 | -1587,70649 | -1586,86944 | -1587,16234 | -1587,61762 | -1590,06832 | -1588,61517 | -1588,54034 | -1589,17805 | -1586,26520 |
| 45 | -1587,61356 | -1586,79417 | -1586,96686 | -1587,60312 | -1590,12034 | -1588,63819 | -1588,57820 | -1589,24899 | -1586,26481 |
| 46 | -1587,73740 | -1586,54915 | -1587,03835 | -1587,39943 | -1590,17814 | -1588,58285 | -1588,43512 | -1589,24103 | -1586,27986 |
| 47 | -1587,76211 | -1586,43809 | -1586,97955 | -1587,40020 | -1590,12227 | -1588,61534 | -1588,58691 | -1589,15552 | -1586,30944 |
| 48 | -1587,63593 | -1586,46548 | -1586,96286 | -1587,61351 | -1590,07200 | -1588,64495 | -1588,66297 | -1589,14541 | -1586,30935 |
| 49 | -1587,68839 | -1586,46642 | -1587,04944 | -1587,39312 | -1590,08087 | -1588,56014 | -1588,53856 | -1589,21556 | -1586,30512 |
| 50 | -1587,62258 | -1586,57037 | -1587,07070 | -1587,39322 | -1590,05755 | -1588,55095 | -1588,55288 | -1589,12062 | -1586,30178 |
| 51 | -1587,62175 | -1586,47348 | -1587,08159 | -1587,68242 | -1590,13520 | -1588,58272 | -1588,58502 | -1589,18427 | -1586,30179 |
| 52 | -1587,64139 | -1586,50276 | -1587,03858 | -1587,40048 | -1590,11116 | -1588,59196 | -1588,51748 | -1589,18995 | -1586,30174 |
| 53 | -1587,73667 | -1586,54922 | -1586,98058 | -1587,40041 | -1590,11112 | -1588,58289 | -1588,56672 | -1589,21073 | -1586,32303 |
| 54 | -1587,72862 | -1586,66120 | -1587,06827 | -1587,60437 | -1590,11117 | -1588,58371 | -1588,57830 | -1589,19096 | -1586,32522 |
| 55 | -1587,58594 | -1586,53839 | -1586,96869 | -1587,54734 | -1590,11150 | -1588,58290 | -1588,51888 | -1589,19370 | -1586,28436 |
| 56 | -1587,65969 | -1586,42464 | -1586,96929 | -1587,53752 | -1590,03764 | -1588,57558 | -1588,49116 | -1589,18294 | -1586,32430 |
| 57 | -1587,76614 | -1586,44075 | -1587,03825 | -1587,59916 | -1590,11584 | -1588,58603 | -1588,52831 | -1589,22977 | -1586,32372 |
| 58 | -1587,64798 | -1586,52701 | -1587,02804 | -1587,64990 | -1590,09371 | -1588,65376 | -1588,54808 | -1589,20544 | -1586,30930 |
| 59 | -1587,74350 | -1586,50715 | -1587,04731 | -1587,61183 | -1590,11141 | -1588,58332 | -1588,53164 | -1589,25049 | -1586,27361 |
| 60 | -1587,61362 | -1586,44112 | -1587,05055 | -1587,59685 | -1590,05354 | -1588,62510 | -1588,58054 | -1589,16623 | -1586,30856 |
| 61 | -1587,61224 | -1586,42730 | -1587,06222 | -1587,59642 | -1590,13275 | -1588,58080 | -1588,56765 | -1589,19166 | -1586,28401 |
| 62 | -1587,71759 | -1586,42801 | -1587,05989 | -1587,40045 | -1590,11116 | -1588,59627 | -1588,57943 | -1589,21083 | -1586,28412 |
| 63 | -1587,73540 | -1586,54920 | -1586,96614 | -1587,40050 | -1590,11118 | -1588,58290 | -1588,53481 | -1589,19276 | -1586,32208 |
| 64 | -1587,70683 | -1586,47217 | -1586,99246 | -1587,54558 | -1590,20947 | -1588,54718 | -1588,52540 | -1589,19125 | -1586,32457 |
| 65 | -1587,64949 | -1586,43829 | -1587,00646 | -1587,50690 | -1590,07669 | -1588,56684 | -1588,47213 | -1589,18367 | -1586,25714 |
| 66 | -1587,57864 | -1586,47123 | -1586,90826 | -1587,39765 | -1590,09460 | -1588,58608 | -1588,47792 | -1589,13772 | -1586,27343 |
| 67 | -1587,77367 | -1586,45530 | -1587,03046 | -1587,39764 | -1590,11367 | -1588,59277 | -1588,52638 | -1589,13730 | -1586,33338 |
| 68 | -1587,60640 | -1586,50731 | -1587,04927 | -1587,39777 | -1590,09369 | -1588,58599 | -1588,52921 | -1589,14390 | -1586,32759 |
| 69 | -1587,60149 | -1586,45526 | -1587,03058 | -1587,55030 | -1590,14990 | -1588,49916 | -1588,52708 | -1589,17996 | -1586,30853 |
| 70 | -1587,71134 | -1586,44120 | -1587,00510 | -1587,59608 | -1590,11119 | -1588,58305 | -1588,55142 | -1589,19291 | -1586,28424 |
| 71 | -1587,71799 | -1586,44113 | -1587,05983 | -1587,41342 | -1590,07256 | -1588,58284 | -1588,57495 | -1589,21025 | -1586,28380 |
| 72 | -1587,59033 | -1586,49927 | -1586,99255 | -1587,40049 | -1590,11108 | -1588,58301 | -1588,48796 | -1589,21125 | -1586,29363 |
| 73 | -1587,63524 | -1586,52272 | -1586,93959 | -1587,54769 | -1590,21707 | -1588,52169 | -1588,47417 | -1589,12347 | -1586,27019 |
| 74 | -1587,57405 | -1586,43944 | -1586,94069 | -1587,55608 | -1590,08020 | -1588,62086 | -1588,47686 | -1589,13800 | -1586,26475 |
| 75 | -1587,57870 | -1586,47227 | -1587,03503 | -1587,36629 | -1590,07902 | -1588,64506 | -1588,44179 | -1589,11860 | -1586,25251 |
| 76 | -1587,52960 | -1586,50458 | -1586,90680 | -1587,39763 | -1590,09462 | -1588,57336 | -1588,47047 | -1589,13727 | -1586,30875 |
| 77 | -1587,73630 | -1586,64202 | -1586,98532 | -1587,39772 | -1590,10647 | -1588,57852 | -1588,48574 | -1589,13798 | -1586,30899 |
| 78 | -1587,69804 | -1586,51306 | -1587,03074 | -1587,40385 | -1590,10655 | -1588,57844 | -1588,52624 | -1589,18284 | -1586,27961 |
| 79 | -1587,82985 | -1586,42842 | -1587,06710 | -1587,47003 | -1590,03586 | -1588,55832 | -1588,58661 | -1589,18252 | -1586,25603 |
| 80 | -1587,71776 | -1586,56272 | -1587,08041 | -1587,59949 | -1590,03600 | -1588,53705 | -1588,56071 | -1589,17799 | -1586,29439 |
| 81 | -1587,62591 | -1586,49927 | -1587,00841 | -1587,60764 | -1590,05755 | -1588,54294 | -1588,57550 | -1589,19853 | -1586,31017 |
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