Amitcuhp
commented
1 year ago For example how to sort these 3 in acsending order of energy
55 Properties=species:S:1:pos:R:3:forces:R:3:energies:R:1 energy=-0.132506507934111 free_energy=-0.132506507934111 pbc="F F F" Na 12.84200809 11.90093348 12.52619172 0.00471027 -0.01290105 -0.03996112 -0.00600102 Na 12.61436595 14.56656863 15.39731848 0.00000000 0.00000000 0.00000000 0.00000000 Na 12.82621689 14.35771533 9.65720905 -0.01136703 -0.00574290 0.00478457 -0.00056250 Na 12.90550573 11.14273767 16.16197460 0.01470216 0.00028839 0.00799244 -0.00120519 Na 13.11748959 11.14641164 10.18905304 -0.00471027 0.01290105 0.03996112 -0.00600102 Na 14.82815764 15.90750833 13.32664501 0.00000000 0.00000000 0.00000000 0.00000000 Na 10.27214024 16.73978586 12.41440503 0.01834120 0.11714599 -0.11207507 -0.03389394 Na 14.95603790 9.64446333 12.29329926 0.00000000 0.00000000 0.00000000 0.00000000 Na 10.87665004 9.46421331 12.43341364 0.00000000 0.00000000 0.00000000 0.00000000 Na 15.42993922 12.94058714 14.68639229 0.00000000 0.00000000 0.00000000 0.00000000 Na 15.92575151 12.38576017 11.15859476 0.00000000 0.00000000 0.00000000 0.00000000 Na 9.86050309 12.92639738 15.81953678 0.00430040 -0.04147127 0.11410838 -0.02447684 Na 10.39653859 13.13018286 10.67990000 0.01136703 0.00574290 -0.00478457 -0.00056250 Na 6.32469650 12.60157683 9.45611958 0.00000000 0.00000000 0.00000000 0.00000000 Na 12.84975059 16.27739283 18.78508968 0.00000000 0.00000000 0.00000000 0.00000000 Na 12.84067176 16.14122216 6.92767264 0.00088049 -0.01094059 -0.00161408 -0.00003223 Na 13.00552793 8.79595199 18.41483457 0.00000000 0.00000000 0.00000000 0.00000000 Na 12.81169306 9.34061335 6.91358775 0.00000000 0.00000000 0.00000000 0.00000000 Na 16.26921818 18.84786070 12.88417174 0.00000000 0.00000000 0.00000000 0.00000000 Na 9.67526265 18.87964382 12.79749066 0.02567237 -0.08157310 -0.02221574 -0.01246358 Na 16.60068357 6.52895435 12.40890632 0.00000000 0.00000000 0.00000000 0.00000000 Na 8.97754092 6.56645302 12.90189193 0.00000000 0.00000000 0.00000000 0.00000000 Na 19.13180123 12.57414330 16.23330119 0.00000000 0.00000000 0.00000000 0.00000000 Na 19.33212638 12.80728355 9.07738402 0.00000000 0.00000000 0.00000000 0.00000000 Na 6.65211671 13.13752030 16.49248497 0.00000000 0.00000000 0.00000000 0.00000000 Na 12.92321732 18.94198141 12.62649213 0.00000000 0.00000000 0.00000000 0.00000000 Na 12.46578048 6.14966195 12.77674786 0.00000000 0.00000000 0.00000000 0.00000000 Na 6.17193601 12.83012194 12.52470880 0.00000000 0.00000000 0.00000000 0.00000000 Na 18.84452334 12.92360254 12.64594743 0.00000000 0.00000000 0.00000000 0.00000000 Na 13.07830606 13.18847734 6.49205041 -0.00088049 0.01094059 0.00161408 -0.00003223 Na 12.63552180 12.63469802 18.98772257 0.00000000 0.00000000 0.00000000 0.00000000 Na 14.15566799 7.61894117 15.61977544 0.00000000 0.00000000 0.00000000 0.00000000 Na 10.71928434 7.70991365 15.95413312 0.00000000 0.00000000 0.00000000 0.00000000 Na 14.52114047 8.11227381 9.20836637 0.00000000 0.00000000 0.00000000 0.00000000 Na 11.22344498 7.71386918 9.78443433 0.00000000 0.00000000 0.00000000 0.00000000 Na 17.51703673 9.68199186 10.59299936 0.00000000 0.00000000 0.00000000 0.00000000 Na 17.72967661 10.12176210 14.61998025 0.00000000 0.00000000 0.00000000 0.00000000 Na 8.19158622 9.95991859 11.07745261 0.00000000 0.00000000 0.00000000 0.00000000 Na 7.61613627 9.61818767 15.43912649 0.00000000 0.00000000 0.00000000 0.00000000 Na 15.00087974 17.60491828 9.50961460 0.00000000 0.00000000 0.00000000 0.00000000 Na 14.70842889 17.85098004 15.96039447 0.00000000 0.00000000 0.00000000 0.00000000 Na 10.86776347 17.36309608 10.51925996 -0.04401356 -0.03557289 0.13429081 -0.02159346 Na 10.66705254 17.48801452 16.03593308 0.00000000 0.00000000 0.00000000 0.00000000 Na 9.87793459 14.99363557 7.85820932 0.00000000 0.00000000 0.00000000 0.00000000 Na 16.08667387 14.31031972 8.41230809 0.00000000 0.00000000 0.00000000 0.00000000 Na 9.65521072 10.93487634 8.10170486 0.00000000 0.00000000 0.00000000 0.00000000 Na 15.27196403 10.79832819 8.03934636 0.00000000 0.00000000 0.00000000 0.00000000 Na 7.92932804 15.94351338 14.53217604 0.00000000 0.00000000 0.00000000 0.00000000 Na 7.85698026 15.69812273 10.62434754 0.00000000 0.00000000 0.00000000 0.00000000 Na 9.90241080 11.44784194 17.37806407 -0.00216865 0.07651276 -0.08065117 -0.01737648 Na 15.38521796 11.19137867 17.51000456 -0.01470216 -0.00028839 -0.00799244 -0.00120519 Na 15.58278142 14.85821533 17.50860250 0.00000000 0.00000000 0.00000000 0.00000000 Na 9.96700193 14.67701882 17.49100965 -0.00213175 -0.03504149 -0.03345721 -0.00710036 Na 17.67856067 16.22333530 10.87224388 0.00000000 0.00000000 0.00000000 0.00000000 Na 18.05348171 16.27009497 14.86854931 0.00000000 0.00000000 0.00000000 0.00000000 55 Properties=species:S:1:pos:R:3:forces:R:3:energies:R:1 energy=-0.8279987969608097 free_energy=-0.8279987969608097 pbc="F F F" Na 12.82066295 11.38201854 12.17698918 0.21428025 -0.06140643 -0.68570830 -0.10151327 Na 12.47774767 14.48651060 15.38459414 -0.01016249 -0.00576029 0.00453692 -0.00033773 Na 12.78761031 14.22247735 9.70250219 -0.04152249 -0.01907018 0.01687281 -0.00713742 Na 13.05754016 11.25967212 16.35784740 0.07279347 0.00393679 0.03661640 -0.01265950 Na 13.29861868 11.28345131 10.62852027 -0.18203489 0.03620044 0.68821244 -0.10247007 Na 14.95689173 15.86019837 13.49361003 0.00000000 0.00000000 0.00000000 0.00000000 Na 9.72986938 16.76377599 11.71730635 1.08637587 0.28771806 -0.63883479 -0.18589207 Na 15.03967400 9.55273029 12.02362268 -0.00351784 0.03217025 -0.02009919 -0.00363009 Na 10.72377392 9.30784631 12.37688693 -0.00678091 0.01374639 -0.00886859 -0.00173876 Na 15.18159656 13.00192643 14.66228830 0.00000000 0.00000000 0.00000000 0.00000000 Na 15.94170807 12.23185911 11.27908007 -0.01731059 -0.01677706 0.00007485 -0.00120092 Na 10.09164707 13.13402379 16.44984015 0.00394872 0.09591770 0.21716289 -0.08350405 Na 10.72355328 13.27451096 10.54123905 0.04152249 0.01907018 -0.01687281 -0.00713742 Na 6.24952023 12.66413524 9.67490571 -0.00106131 0.00109835 0.01664080 -0.00119995 Na 12.91188297 16.44036306 18.79603008 0.00000000 0.00000000 0.00000000 0.00000000 Na 12.88493098 15.78697828 7.00324819 0.00850118 -0.05056883 -0.01084926 -0.00778056 Na 13.03415465 8.57068651 18.30636815 0.00285582 -0.00354948 -0.00995550 -0.00000097 Na 12.95565054 9.57958710 7.03653255 0.03353931 0.00683370 0.02603545 -0.00534013 Na 16.19250799 18.82202625 12.81439058 0.00000000 0.00000000 0.00000000 0.00000000 Na 10.09701270 19.16389051 13.09966232 0.00911686 -0.01695201 -0.01126721 -0.00164260 Na 16.69968345 6.26466057 12.29663715 0.00000000 0.00000000 0.00000000 0.00000000 Na 8.91865756 6.65263844 12.79485768 0.00000000 0.00000000 0.00000000 0.00000000 Na 19.23408839 12.45519947 16.09888707 -0.00652004 -0.00909751 -0.00624983 -0.00039827 Na 19.57869211 12.82897131 8.96242976 0.00000000 0.00000000 0.00000000 0.00000000 Na 6.78740910 13.28155875 16.47282661 0.00000000 0.00000000 0.00000000 0.00000000 Na 12.97920843 18.78602416 12.50451686 -0.01147977 0.00150504 0.00237046 -0.00018678 Na 12.31884232 6.04570219 12.69508852 0.00000000 0.00000000 0.00000000 0.00000000 Na 6.07019964 12.84971496 12.48657220 0.00106131 -0.00109835 -0.01664080 -0.00119995 Na 18.73107348 12.99464731 12.55511175 0.00000000 0.00000000 0.00000000 0.00000000 Na 13.27351561 13.47550396 6.50733434 -0.00850118 0.05056883 0.01084926 -0.00778056 Na 12.59844408 12.64744609 18.98360196 0.00000000 0.00000000 0.00000000 0.00000000 Na 13.81664250 7.59813671 15.57858615 -0.00285582 0.00354948 0.00995550 -0.00000097 Na 10.56998321 7.55754694 15.92960014 0.00000000 0.00000000 0.00000000 0.00000000 Na 14.45117376 8.25786574 9.03669605 -0.00442998 0.03010969 -0.01944114 -0.00382133 Na 11.25684328 7.68928888 9.59915181 0.00000000 0.00000000 0.00000000 0.00000000 Na 17.38740068 9.66520412 10.46173322 -0.01395139 -0.00066838 0.00928154 -0.00121195 Na 17.74244038 10.37387934 14.66905757 0.00652004 0.00909751 0.00624983 -0.00039827 Na 8.35652589 10.11377361 11.13834441 0.01538327 -0.00523722 0.00804852 -0.00148635 Na 7.56096610 9.70302314 15.72125655 0.00000000 0.00000000 0.00000000 0.00000000 Na 15.12921367 17.64192282 9.43176167 0.00000000 0.00000000 0.00000000 0.00000000 Na 14.71023678 17.90200099 16.03046419 0.00000000 0.00000000 0.00000000 0.00000000 Na 10.97576733 17.08963182 11.01613466 -1.11763524 -0.29230962 0.62898747 -0.17823245 Na 10.47046671 17.39266120 16.03364022 -0.00178347 -0.01249247 0.00578368 -0.00062009 Na 10.03633063 15.16075599 7.95934925 0.00000000 0.00000000 0.00000000 0.00000000 Na 16.10644385 14.12847287 8.67859923 0.00000000 0.00000000 0.00000000 0.00000000 Na 9.56335503 10.89436889 8.16546777 0.00000000 0.00000000 0.00000000 0.00000000 Na 14.93863148 10.75046554 8.18016528 -0.03517725 -0.03497138 0.00246441 -0.00682659 Na 7.96559186 15.96973009 14.50025449 0.00000000 0.00000000 0.00000000 0.00000000 Na 7.82254813 15.62703259 10.65399474 0.03362228 0.02003852 0.01874407 -0.00620379 Na 10.02759616 11.31835791 17.13231762 0.00735204 0.20840999 -0.07833772 -0.03398888 Na 15.06295815 11.36812830 17.36660795 -0.07279347 -0.00393679 -0.03661640 -0.01265950 Na 15.55784347 14.88825570 17.47557974 0.00000000 0.00000000 0.00000000 0.00000000 Na 10.09793458 14.78323360 17.24173562 0.00064520 -0.28607493 -0.14914577 -0.04979754 Na 17.51575156 16.30981891 10.79330084 0.00000000 0.00000000 0.00000000 0.00000000 Na 18.13942417 16.35458832 14.93400930 0.00000000 0.00000000 0.00000000 0.00000000 55 Properties=species:S:1:pos:R:3:forces:R:3:energies:R:1 energy=-2.4468722413027573 free_energy=-2.4468722413027573 pbc="F F F" Na 12.66639510 10.90031268 12.58944006 0.01175358 -0.01294932 -0.02962379 -0.00522424 Na 12.24327219 14.43152924 15.48186822 -0.01746763 -0.01599355 0.00704732 -0.00277233 Na 12.71017113 13.99234230 9.68245122 -0.26734584 -0.07910946 0.10182211 -0.04614069 Na 13.05198751 11.31752131 16.53367093 0.11283488 0.01646819 0.07057399 -0.02372344 Na 14.02360045 11.17886881 10.33476309 0.17632605 -0.12387812 0.01566858 -0.06701633 Na 15.08834832 15.81858558 13.62705360 0.00000000 0.00000000 0.00000000 0.00000000 Na 9.74548960 15.84142496 10.55305771 -6.29975401 -9.44063705 -10.41987990 -0.29694952 Na 15.10967606 9.77832048 11.57238242 0.02712591 0.18661966 -0.10173705 -0.04702538 Na 10.38310860 9.30433729 12.26237237 -0.08365956 0.04566018 -0.04844651 -0.01974361 Na 14.95001140 12.97528818 14.66447230 0.00000000 0.00000000 0.00000000 0.00000000 Na 15.68320965 11.82053600 11.40552198 -0.13351497 -0.17402060 -0.07094371 -0.04255786 Na 10.35622343 12.70372698 16.24319810 0.00957136 -0.16016287 0.09867277 -0.03428741 Na 11.07661668 13.46663381 10.38307015 0.25711344 0.10458911 -0.11339837 -0.04746239 Na 6.29480203 12.70459141 10.06016961 -0.01027889 0.00643626 0.07994056 -0.01254164 Na 12.87926648 16.73106978 18.83700359 0.00000000 0.00000000 0.00000000 0.00000000 Na 12.73784911 15.36015434 7.15176524 0.09685697 -0.20560384 -0.05774398 -0.04048592 Na 13.09190472 8.28194766 18.10910402 0.00347812 -0.00724380 -0.02621737 -0.00328797 Na 13.37075660 9.82603076 7.42289608 0.97132402 -0.17688467 1.21968625 -0.22946237 Na 16.16217780 18.78539939 12.71997337 0.00000000 0.00000000 0.00000000 0.00000000 Na 10.45864724 20.48904943 13.77169230 0.00000000 0.00000000 0.00000000 0.00000000 Na 16.78490584 6.01166149 12.17600395 0.00000000 0.00000000 0.00000000 0.00000000 Na 8.88567012 6.82301350 12.72681387 0.00650398 0.01077740 -0.00201726 -0.00038337 Na 19.29570684 12.34388619 15.91552879 -0.02936150 -0.03468166 -0.02267605 -0.00749869 Na 19.77471955 12.90078925 8.80974958 0.00000000 0.00000000 0.00000000 0.00000000 Na 6.88649229 13.43678078 16.37910661 0.00000000 0.00000000 0.00000000 0.00000000 Na 12.99012299 18.57446317 12.29919383 0.00000000 0.00000000 0.00000000 0.00000000 Na 11.95673867 5.90654225 12.60965771 0.00000000 0.00000000 0.00000000 0.00000000 Na 6.00872048 12.88372492 12.28507066 0.01027889 -0.00643626 -0.07994056 -0.01254164 Na 18.64443954 12.97934225 12.44696087 0.00000000 0.00000000 0.00000000 0.00000000 Na 13.67260150 13.80687341 6.53764123 -0.11946646 0.19851778 0.07848840 -0.03710636 Na 12.59299938 12.68461672 18.97576650 0.00262163 -0.00780851 -0.01394864 -0.00109618 Na 13.42547363 7.58723076 15.59472608 -0.00347812 0.00724380 0.02621737 -0.00328797 Na 10.40865244 7.37251732 15.91382579 0.00000000 0.00000000 0.00000000 0.00000000 Na 14.26737164 9.05813542 8.53917589 -0.95679581 -10.47211826 -1.35690566 -0.42391342 Na 11.26711200 7.64300933 9.41840149 0.00000000 0.00000000 0.00000000 0.00000000 Na 17.07601048 9.70126964 10.39815568 -0.07202722 0.01886487 0.04437682 -0.01306993 Na 17.90425340 10.70030799 14.84090125 0.02936150 0.03468166 0.02267605 -0.00749869 Na 8.68709916 10.16684072 11.28810719 0.09139970 -0.04648120 0.05250415 -0.01800145 Na 7.55404448 9.81552713 15.94600879 0.00000000 0.00000000 0.00000000 0.00000000 Na 15.26378208 17.74814111 9.39076212 0.01160742 -0.00738972 0.00685671 -0.00092783 Na 14.70747356 17.91100366 16.07795604 0.00000000 0.00000000 0.00000000 0.00000000 Na 10.13599323 16.47137540 11.25803387 5.72938617 9.37638730 10.51875616 -0.23612615 Na 10.24286126 17.12424720 16.05327287 0.01817787 -0.34362909 0.34592547 -0.07028191 Na 10.20396164 15.34738765 8.03631511 0.01731961 0.00566139 0.02042030 -0.00623081 Na 16.22457745 13.91321350 8.95013400 0.00000000 0.00000000 0.00000000 0.00000000 Na 9.46354388 10.89044948 8.23892509 0.00000000 0.00000000 0.00000000 0.00000000 Na 14.32088572 10.09218285 8.62293740 -0.03843568 10.74441007 0.27743818 -0.47560314 Na 7.97847792 16.01314362 14.36286663 0.00000000 0.00000000 0.00000000 0.00000000 Na 8.09632694 15.81752318 11.03163045 0.58589011 0.04019478 -0.12846473 -0.08927151 Na 10.28079821 11.02107855 17.25303777 0.02196345 0.17766123 -0.10937176 -0.03228619 Na 14.96944478 11.46799557 17.31788858 -0.12952369 -0.01016449 -0.05297368 -0.02185615 Na 15.63516211 14.93127121 17.46664741 0.00000000 0.00000000 0.00000000 0.00000000 Na 10.30712727 15.90938166 17.27625703 -0.01817787 0.34362909 -0.34592547 -0.07028191 Na 17.42117581 16.37466310 10.66517348 -0.01160742 0.00738972 -0.00685671 -0.00092783 Na 18.18288158 16.46909288 15.10160728 0.00000000 0.00000000 0.00000000 0.00000000
Please help me how to sort by energy