108 Lattice="11.299953159866087 0.0 0.0 0.0 11.299953159866087 0.0 0.0 0.0 11.299953159866087" Properties=species:S:1:pos:R:3:forces:R:3 energy=-529.0655543364744 stress="-2.779370887403296 -2.249927359097816 -6.244646190056875 -2.249927359097816 -9.586948119984935 1.2255965407185911 -6.244646190056875 1.2255965407185911 -3.2968568883749434" pbc="F F F" Ta 0.01464070 0.02075479 0.01100675 0.94047774 0.85460857 2.04410682 Cu 1.86176107 1.86436268 -0.02591822 0.32543352 0.53914654 -0.11814340 Ta 1.90109382 0.00612092 1.87107846 0.49855942 -0.86518482 -0.36505403 Ta 0.03092432 1.88088973 1.89982063 -1.28496938 0.26364877 -0.68560402 Cu 3.74048087 0.02636020 -0.01055334 -0.15076740 0.57589965 0.34354518 Cu 5.68921330 1.90005618 -0.00003144 0.05952332 -0.29708555 -0.08886288 Ta 5.61387056 -0.00300306 1.91570989 0.46528520 0.30109248 0.03544883 Cu 3.79712812 1.91508365 1.90968093 -0.89371991 -0.40920615 -0.52496369 Cu 7.50030748 -0.02194724 0.00706420 -0.09904315 0.62067512 1.23587414 Cu 9.40312757 1.92006078 0.01831374 -0.68317627 0.37355060 0.61066037 Cu 9.38988397 0.01894876 1.84147192 -1.15824998 0.54053987 0.12538532 Cu 7.55500924 1.88629555 1.85656034 0.28278582 -0.20133036 -0.41146442 Cu -0.00703433 3.77135552 0.03772037 0.29354606 -0.11185667 -0.09884215 Ta 1.86999692 5.67404789 0.02479866 0.11881497 -0.25830329 -1.63510123 Cu 1.90002332 3.70823296 1.91791073 -0.03089592 0.14568817 -0.56055745 Ta 0.00423835 5.63445222 1.90690679 -0.33577164 -0.58394436 0.20543754 Ta 3.78935536 3.79966929 -0.01678583 -0.97859716 -1.30344565 -1.14105093 Ta 5.68528202 5.62596301 0.00599977 0.52284757 1.23803823 -2.36433141 Ta 5.62135285 3.76204945 1.85886802 0.96934084 -2.01619759 -0.54329833 Ta 3.75633065 5.63604293 1.90346220 -1.59785803 0.50331895 -0.58917766 Cu 7.49842136 3.76733161 0.01288236 0.69702487 -0.56311342 -0.40729320 Ta 9.39806344 5.70418591 -0.01928089 -1.25627561 -0.30131075 0.74416177 Cu 9.43323076 3.76991702 1.86346303 0.26057594 -0.33976733 -0.42676577 Ta 7.56699238 5.62144885 1.87889531 1.63751983 0.22049116 -1.12253618 Ta 0.00570868 7.54358541 0.03678446 -0.49696076 -0.03920776 -0.15520364 Ta 1.86875054 9.39578005 -0.02217984 0.72649282 -0.46599237 0.04105752 Ta 1.88002988 7.55548012 1.86133517 -0.48407878 0.39950363 1.34215556 Cu -0.01476821 9.45394999 1.91434389 0.45937267 -0.35595291 0.36913251 Cu 3.78250849 7.54349364 -0.00371509 -0.35125945 -0.35265007 -0.84450987 Ta 5.64025779 9.41479578 0.00909628 -0.18782645 -0.54908169 0.50494765 Ta 5.63682949 7.53268286 1.86047005 0.60194379 0.46658015 -1.54938486 Ta 3.77070944 9.40646753 1.85380127 -0.40775005 2.01849545 -0.46853544 Cu 7.56121172 7.53775708 -0.01178723 0.30388187 0.46266841 -0.24797672 Cu 9.40940983 9.43948579 0.00530630 -1.09506365 -1.15737829 1.13148465 Cu 9.39683994 7.53636957 1.86655877 0.35549574 0.26977993 -0.11749198 Cu 7.51629190 9.40182875 1.88013288 0.22694382 0.39221708 -0.29340193 Ta -0.00740116 0.02575473 3.78090978 -0.00330341 -0.26682427 -0.37052774 Ta 1.85319634 1.86113519 3.77492345 0.39296283 0.23499630 0.68373799 Cu 1.88449619 -0.00105061 5.64749314 0.05037715 -0.59794237 0.07834025 Cu -0.02715623 1.85075318 5.65768760 -0.15646220 0.47956706 -0.14153122 Cu 3.78102823 0.00292148 3.77324693 -0.29028700 -0.40986979 0.24235092 Ta 5.61380109 1.91554080 3.79129261 0.96815306 -1.63607529 -1.00166920 Ta 5.64917607 0.00004098 5.68371665 0.85043889 -0.92586260 -0.66370658 Ta 3.78444512 1.90055386 5.66161161 -1.15078463 -0.13681420 1.02804197 Ta 7.55015773 0.03466117 3.80418445 0.17347717 -0.25116965 -0.87907182 Cu 9.39976921 1.87039097 3.71040550 0.14141056 -0.15437425 -0.00840169 Cu 9.39944374 -0.00523671 5.66590532 -0.87296552 0.36437742 -0.10569912 Cu 7.57315266 1.85646271 5.63355657 -0.04721390 0.32212262 0.87943905 Cu -0.00505827 3.78408852 3.73555020 -0.01881599 -0.29188521 0.46227670 Cu 1.90686699 5.63168553 3.75541483 -0.31100766 -0.27512869 0.44300747 Cu 1.89424123 3.78662116 5.62238250 -0.15195190 0.51154175 0.52174818 Cu 0.00043876 5.61682133 5.62751384 -0.05459720 0.37913362 0.01118240 Ta 3.72969890 3.75727147 3.74550521 -1.24144621 0.63923592 0.45844719 Ta 5.65773928 5.62226719 3.75425260 -0.77028238 0.73338633 0.89886338 Ta 5.64277010 3.79569436 5.65350941 -0.50255487 -0.58793718 1.60986433 Cu 3.74859413 5.66346595 5.68377949 0.49154677 -0.48645089 -0.01602389 Ta 7.52843822 3.74403997 3.74905058 1.79802937 -1.24494022 0.34002059 Cu 9.44845081 5.64762084 3.70132285 0.45064300 0.22648029 0.17790709 Cu 9.40170752 3.74842276 5.61428104 0.52765774 -0.01121695 -0.09093016 Ta 7.50772414 5.64234645 5.65962441 1.05851535 1.08953589 0.90336361 Cu 0.00986546 7.50347080 3.74237963 -0.13310707 0.27058162 0.16819667 Cu 1.93280042 9.42594781 3.77320896 -0.28911000 0.64877808 0.19936673 Ta 1.92035694 7.52891743 5.64659111 -1.24098519 0.13949453 0.22061095 Ta 0.00193391 9.45239292 5.64749896 1.06563087 -0.89968953 1.05085182 Ta 3.80047373 7.54806222 3.79834428 -0.83917687 -0.72390730 1.06229155 Ta 5.64535744 9.38536849 3.75964571 0.49592032 2.24772720 0.46856839 Cu 5.66614100 7.46875518 5.67864971 -0.46304852 0.16354792 0.70035824 Cu 3.76746575 9.39898276 5.63042837 0.14560313 0.70717096 0.34587860 Ta 7.49865934 7.52595254 3.75855595 1.31798866 0.24695957 -0.22435057 Ta 9.43069270 9.43272355 3.70134768 -0.76987125 -0.27186143 0.00707132 Ta 9.38903423 7.56495950 5.62084579 1.74685102 -0.25797057 0.29293170 Ta 7.53170902 9.42529540 5.61453447 -0.31700498 1.05935437 1.61945587 Ta -0.03330014 -0.01095521 7.50048928 1.61855821 0.57289311 -0.55977320 Ta 1.87275641 1.92401833 7.55786644 -1.22909143 0.14391211 -1.61386535 Ta 1.87011173 0.03836127 9.39446648 -0.40152375 -0.17104406 -0.15623834 Cu -0.01148709 1.86741645 9.41568608 -0.25658899 0.30559653 0.12231704 Ta 3.75224035 -0.01839908 7.50787041 -0.35144116 -1.41520701 0.28898658 Cu 5.63104572 1.91373780 7.50928800 0.38357467 -0.03814448 0.21617497 Cu 5.64144516 0.02046868 9.41788645 -0.02928560 0.10496053 -0.39314523 Ta 3.74830869 1.86333972 9.38108942 1.52279950 0.63150577 1.09690952 Cu 7.47946546 0.00469931 7.51880537 0.24845474 0.36957156 0.02691836 Cu 9.40646332 1.88217776 7.50549416 0.03963744 -0.01758794 0.18552005 Cu 9.41442037 -0.00242901 9.45075355 -1.02687369 1.01309340 -0.63934193 Ta 7.52744207 1.91230856 9.38517730 -0.33297747 0.19817208 -0.43058836 Cu -0.00899595 3.78916370 7.55614146 -0.65319916 -0.33901869 -0.49141931 Ta 1.91883429 5.63492719 7.53928022 -0.24124633 -0.23530377 -0.44826002 Ta 1.84541828 3.75656556 9.43632297 0.23711219 0.62080240 1.15581937 Ta -0.01587750 5.68099899 9.39008517 0.49442133 0.78984375 -0.05530851 Cu 3.77871153 3.73530027 7.56042116 0.48332827 0.40520657 -0.32462949 Cu 5.66727459 5.61544913 7.57599642 -0.61361138 0.94004737 -0.19921832 Cu 5.67921508 3.79861244 9.39713796 -0.65944003 -0.34219793 0.10709706 Cu 3.75915411 5.67606741 9.38452016 0.45442632 -0.44643783 0.43601240 Ta 7.56513265 3.79050315 7.50269324 -0.25345202 -1.54342052 0.77466622 Ta 9.43162529 5.62942968 7.55178834 0.68157810 0.79368249 0.24705105 Cu 9.38165944 3.78967694 9.42116855 0.27638601 -0.34171265 0.37508763 Ta 7.48713814 5.62982990 9.43509107 0.33838116 0.93338751 -0.39535891 Cu 0.01644356 7.51531055 7.52455515 -0.65291200 0.09039110 -0.44515049 Ta 1.86752130 9.43934473 7.55612761 0.24157930 0.43104373 -0.63209721 Ta 1.89468585 7.55651931 9.39877825 -0.32465038 -0.56627877 0.60956317 Ta 0.00350204 9.38773769 9.38050543 0.99959298 -1.46249213 -1.51724823 Cu 3.77290305 7.55048341 7.53595744 0.52053562 -0.09451462 -0.40689393 Ta 5.63352749 9.42739145 7.56307644 0.48084705 -0.01562405 -0.19828315 Cu 5.59609960 7.56776819 9.40999394 -0.05628643 -0.17734694 0.19579051 Cu 3.72546417 9.43001922 9.44578521 0.27530339 0.12541102 -0.03126540 Cu 7.56049865 7.55139593 7.53738722 -0.48828098 -0.28225529 0.36094533 Cu 9.39691581 9.39850958 7.54260136 -0.56168310 -0.24360191 -0.03336844 Cu 9.44253928 7.58709041 9.44573158 -0.60225928 -0.23181800 -0.52711670 Ta 7.49772442 9.40308394 9.44837687 -0.86654449 -1.55451924 -2.04639637