864 Lattice="20.96433196884261 0.0 0.0 0.0 20.96433196884261 0.0 0.0 0.0 20.96433196884261" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3516.414223441405 stress="-53.51960016631904 -2.131508977456029 1.5200849234178548 -2.131508977456029 -53.921249924226785 -0.7089178190452543 1.5200849234178548 -0.7089178190452543 -52.54831439230205" pbc="F F F" Ni 0.03440741 -0.03135033 -0.00170904 0.49981201 0.40086838 0.49647020 Ni 1.72981512 1.76909033 0.02697727 0.54495986 -0.14557492 -0.42839101 Ni 1.77556394 -0.00658261 1.76832102 -0.08745574 -0.16752145 -0.18619429 Ni 0.04757738 1.72849374 1.72100171 -0.30723721 0.28581809 0.40934066 Ni 3.50273718 -0.02037040 -0.01694972 -0.20679466 0.29971392 0.14435358 Ni 5.25287782 1.77962045 -0.00993638 -0.20441278 -0.58482355 -0.02669300 Ni 5.20940354 0.03096080 1.77852694 0.24035002 -0.34799719 -0.20010658 Ni 3.46416774 1.71375252 1.71750466 0.22921448 0.58494710 0.31129339 Ni 7.01959188 0.03344318 0.02947397 -0.42065149 -0.08709765 -0.09773977 Ni 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12.22215496 5.26561930 -0.01324844 0.36181285 -0.14636962 -0.15518038 Ni 12.21240860 3.49951340 1.76093429 0.07820573 -0.34797814 -0.31444527 Ni 10.51130302 5.25213922 1.71280388 -0.46297534 -0.31066826 0.62947288 Ni 13.98123304 3.51370255 -0.01564751 -0.31661975 -0.35662679 0.12844383 Ni 15.70535744 5.23451782 0.04182554 0.33986221 0.24299414 -0.19159506 Ni 15.74014977 3.48065595 1.71867170 -0.29783980 0.05306107 0.50468590 Ni 13.94852603 5.25607880 1.74289136 0.13444775 -0.08573656 -0.10474434 Ni 17.44999188 3.45919590 0.00865267 0.32647653 0.21251804 -0.16481687 Ni 19.20569822 5.21793192 -0.01035237 -0.09360162 -0.14445901 0.14818474 Ni 19.21467582 3.46864191 1.75903374 0.08808147 -0.08812998 -0.00653563 Ni 17.49574387 5.22354795 1.75652051 -0.37291906 0.12478431 -0.01220861 Ni 0.02036862 6.98111546 -0.01959753 -0.08367521 -0.12667864 0.05803574 Ni 1.71760420 8.71695493 0.00044285 0.48399060 0.27875264 -0.24294510 Ni 1.74920523 7.00243189 1.71233724 0.15771728 -0.26479013 0.59085518 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15.73956115 8.76986738 -0.00144329 -0.19782712 -0.30157300 0.01747256 Ni 15.68925513 7.01791707 1.76239073 0.49034089 -0.13743183 -0.29741192 Ni 13.95167206 8.75904272 1.76271095 0.40856623 -0.13789620 -0.34276827 Ni 17.48961909 6.97336994 -0.02620624 -0.34986761 0.25751943 0.25884543 Ni 19.24461102 8.76643627 -0.00254977 -0.31013212 -0.16983006 0.26184427 Ni 19.22152824 6.98187363 1.72677077 -0.09438370 0.01181068 0.24602398 Ni 17.44943584 8.76298050 1.77211444 0.28837649 -0.59477596 -0.31980689 Ni 0.04350726 10.51073635 0.00384533 -0.08920869 -0.08241845 -0.01144603 Ni 1.75452252 12.25893491 -0.02219388 0.19509601 -0.21497522 0.17185441 Ni 1.71807955 10.46598044 1.75864351 0.50096730 0.11018664 -0.08859695 Ni 0.03296553 12.21318149 1.77240116 -0.13277634 0.23135892 0.18975169 Ni 3.47136331 10.48584793 -0.02908744 -0.29004141 0.04114772 -0.06283452 Ni 5.25938639 12.20046432 0.02163580 -0.25798937 0.48332591 -0.44334820 Ni 5.20632566 10.51020552 1.71624514 0.45261534 -0.63729622 0.54389100 Ni 3.51834355 12.19571799 1.73899734 -0.65360618 0.43299809 0.08923420 Ni 6.96998767 10.51417475 -0.03437068 0.34985265 -0.28999658 0.18407735 Ni 8.73173817 12.23610184 0.01263557 -0.02234429 0.01260672 -0.09595300 Ni 8.74933610 10.51299615 1.76853949 -0.19950430 -0.37234702 -0.36821205 Ni 6.97335306 12.21468688 1.77998583 0.19059636 0.02832545 -0.50246513 Ni 10.45262303 10.47213409 -0.01873388 0.23782792 0.16094984 0.24985774 Ni 12.19940521 12.24597385 0.01059968 0.16277009 -0.34539866 -0.16677959 Ni 12.25204155 10.49193562 1.77336763 -0.60675737 0.09196417 -0.14814271 Ni 10.48537776 12.26055286 1.75792757 -0.03855427 -0.22874508 0.14424765 Ni 13.95921924 10.50732004 0.02110641 0.12865320 -0.20715389 -0.25716857 Ni 15.76655440 12.20571329 -0.00538782 -0.25796719 0.28363214 0.03476808 Ni 15.73389868 10.47491445 1.77247897 -0.21694738 0.15860241 -0.11440500 Ni 13.97288186 12.21892052 1.72709088 0.20971828 0.13269136 0.37159473 Ni 17.45778694 10.45560087 -0.01607122 0.33220375 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12.20670159 17.49321321 1.75525099 0.61401153 -0.59429137 0.09976155 Ni 10.51375768 19.18725365 1.71730516 -0.42185122 0.55309803 0.31850256 Ni 13.95329050 17.46006407 0.01819518 0.30438651 -0.23909435 -0.13443535 Ni 15.74502637 19.23733742 0.04553530 -0.12815610 -0.20664789 -0.15377486 Ni 15.69733666 17.45433842 1.73005458 0.40021359 0.10270936 0.11391678 Ni 13.95578234 19.24493413 1.72957393 0.24881177 -0.14228502 0.44765110 Ni 17.49609549 17.48699891 0.03134964 -0.48247993 -0.27426426 -0.06562067 Ni 19.21640405 19.20774069 0.01991087 -0.34452289 -0.27123472 0.40780140 Ni 19.23440525 17.45134379 1.73437410 -0.13258830 0.05088824 0.53217532 Ni 17.44288093 19.23861198 1.75563236 0.35891645 -0.19638915 0.34445670 Ni 0.00013708 -0.00674016 3.44557111 0.17764834 0.30959935 0.14261251 Ni 1.74959009 1.79650176 3.50212763 -0.24118169 -0.42911244 -0.28287433 Ni 1.73987980 0.02527791 5.21130954 -0.05357794 -0.03176362 0.23770277 Ni -0.01249285 1.78058984 5.26464809 -0.12554912 -0.25365119 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