32 Lattice="7.6978095994816735 0.0 0.0 0.0 7.6978095994816735 0.0 0.0 0.0 7.6978095994816735" Properties=species:S:1:pos:R:3:forces:R:3 energy=-199.4064274316603 stress="-0.02435126244992535 0.00024304889968482224 0.002189251124035795 0.00024304889968482224 -0.022321666497384027 0.0005936174450757202 0.002189251124035795 0.0005936174450757202 -0.02334197320434254" free_energy=-199.4064274316603 pbc="F F F" Ta 0.01096504 0.02747063 0.00889044 1.21723216 1.14022303 1.23299216 Ta 1.93159500 1.90096918 0.00869223 -0.66653620 0.26032496 -1.89422335 Ta 1.88598137 0.00931626 1.95131540 0.27190161 -2.06328420 -0.40751151 Ta 0.00420638 1.90195660 1.92348602 -1.88638536 0.63854701 -0.33797051 Ta 3.83492125 0.03931523 0.05510010 -0.55793446 -0.67265234 -0.59484691 Ta 5.78415565 1.89037374 0.01631618 0.19271132 0.70215669 -0.23238940 Ta 5.74346133 0.01402274 1.89797420 0.38663839 -0.12472384 0.96564365 Ta 3.84504128 1.92846332 1.89083849 0.28831615 -0.37022122 0.54514472 Ta 0.00662440 3.88161824 0.01427536 0.29293158 -0.76622091 0.11146493 Ta 1.90766242 5.80875139 0.01165407 0.76755879 -0.28782333 0.13598021 Ta 1.95301549 3.86294021 1.92731794 -0.75649968 0.10224977 -0.76482762 Ta 0.04106092 5.74124230 1.93923872 -0.38029530 0.38290415 0.36123529 Ta 3.85509470 3.81288442 0.01995035 0.19541831 0.84998436 -2.05520724 Ta 5.77836523 5.78431211 0.00166121 -1.57146641 -1.56626260 1.56181009 Ta 5.76552658 3.82514631 1.93327406 1.89435033 0.44257829 -0.42878290 Ta 3.86355495 5.78994038 1.92428578 0.06790015 1.68804348 -0.37482724 Ta 0.02946240 0.03138942 3.83071194 -0.48291775 -0.43282177 -0.17411338 Ta 1.91856675 1.94115035 3.83861196 0.23623570 -0.12897601 0.39125664 Ta 1.91971418 0.03046036 5.75622191 0.75787384 -0.15680099 0.03442903 Ta 0.05838139 1.92965363 5.74380748 -0.53407050 0.53961140 0.42838604 Ta 3.83570937 0.01457725 3.82648835 0.27432792 -1.63203210 0.34400315 Ta 5.76714469 1.94029534 3.86785138 1.78300438 -0.37026879 -0.15709298 Ta 5.78727420 0.01696468 5.74619044 -1.39237795 1.39408080 -1.35323456 Ta 3.88624360 1.93747409 5.78438785 -0.43119108 -0.17464856 1.67003099 Ta 0.00719072 3.85859379 3.85840600 -2.03900120 -0.27587625 -0.27279271 Ta 1.90189356 5.74913891 3.86052304 0.51961488 2.18627082 0.05504795 Ta 1.89715175 3.88345332 5.77881999 0.58747921 -0.25994086 1.90048257 Ta 0.01431885 5.73898878 5.73854686 0.81483553 -0.89091522 -0.95933378 Ta 3.82709154 3.83591364 3.82111589 0.50813294 0.33182848 0.88489906 Ta 5.73848846 5.73221400 3.86486573 0.34999455 0.08421416 -0.56584328 Ta 5.78351720 3.82738607 5.78123832 -0.01275083 -0.36622734 -0.05900925 Ta 3.88579317 5.76189679 5.75814518 -0.69503101 -0.20332108 0.00920015