108 Lattice="10.943790629237391 0.0 0.0 0.0 10.943790629237391 0.0 0.0 0.0 10.943790629237391" Properties=species:S:1:pos:R:3:forces:R:3 energy=-810.19360006838 stress="-0.006841919253599804 0.0013967383040437483 0.002512402719530186 0.0013967383040437483 -0.006126967970594702 0.00433852830056345 0.002512402719530186 0.00433852830056345 -0.009853212055353224" free_energy=-810.19360006838 pbc="F F F" Mo 0.02716031 0.00330542 0.02919288 1.27342698 1.19898623 1.09174774 Ni 1.84270574 1.82677855 0.03778383 -0.39604634 -0.86859698 -0.17140199 Ni 1.84440674 0.01390460 1.79041250 -0.24799563 0.52696075 0.03668169 Ni 0.00922417 1.81963377 1.81159914 0.18827346 -0.54455352 -0.09550700 Mo 3.63067916 0.03551111 0.02055744 -0.74898543 0.34163982 0.79372011 Mo 5.47500075 1.82852158 0.00011363 0.83370839 -0.97213431 -0.89011402 Ni 5.40249881 0.03593255 1.79585813 0.45317720 0.29113519 0.25857975 Ni 3.65915107 1.81202535 1.78424898 -0.37789076 -1.22294783 0.37646759 Ni 7.33893634 0.03518473 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0.82690763 0.84663883 -0.00650828 Ni 1.83852512 1.78805827 3.66598227 -0.43220945 -0.57538208 -0.66596924 Mo 1.84008251 0.02127055 5.50166913 -0.29114813 -2.29790635 -1.29539593 Mo 0.02175542 1.80884732 5.50781108 -0.90006586 0.35066634 -0.28305826 Ni 3.66004736 0.00320795 3.64420170 -0.04304950 0.35722804 -0.36908757 Ni 5.47026642 1.82753337 3.68354180 0.55638554 -0.80774189 -0.27401643 Ni 5.49172338 0.01664411 5.48911365 0.14086939 -0.07820518 -0.49173880 Mo 3.64361065 1.78285662 5.46032164 1.11236341 0.36793857 -1.10018182 Ni 7.32277403 0.00817588 3.63594755 -0.34099089 0.63184735 -0.01279075 Mo 9.09879957 1.79240044 3.61812157 -0.55501746 0.44845888 0.26246063 Ni 9.13912484 0.00254854 5.47320899 -0.74990853 0.86810085 -0.01851303 Ni 7.30347745 1.82765372 5.46631912 0.50990702 -0.06525589 -0.26443488 Mo 0.00422712 3.65276516 3.63758073 -2.04722692 -0.96556308 -0.27544366 Mo 1.79093649 5.43781312 3.66359864 -0.23412545 1.18057158 -0.15890968 Ni 1.83552352 3.62111384 5.48809879 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0.18560125 Ni 9.11937684 5.49690926 7.35371441 0.38624393 -0.22554019 -0.02119541 Ni 9.09216875 3.67492463 9.10121872 -0.63215944 -0.17964433 -0.57538840 Mo 7.30995252 5.44207652 9.11697542 -0.06550991 -0.96815836 0.66860928 Mo 0.00194684 7.27224929 7.31199847 -2.17516593 1.28243468 0.37237833 Mo 1.84568755 9.13584330 7.30570255 -0.27848994 1.01806645 0.54270078 Mo 1.84419767 7.26281226 9.15407614 0.67546724 0.64481126 1.91985775 Mo 0.01728712 9.11214406 9.14692863 0.72886122 -0.83138440 -0.68107158 Ni 3.66523248 7.27845165 7.28016755 0.49893855 0.54189437 0.71122138 Ni 5.49284280 9.12550995 7.36459172 -0.43446171 0.40824246 -0.15722278 Mo 5.46857832 7.32637002 9.10668421 -1.08194216 -0.25273969 0.42003943 Ni 3.65729448 9.08397081 9.12212555 -0.09590600 -0.49554058 -0.57109161 Mo 7.30062889 7.30798200 7.27370466 0.78183624 0.79453563 1.76145356 Ni 9.13059849 9.13385187 7.33064331 -0.48799531 -0.63098892 -0.24805651 Mo 9.11962904 7.31464104 9.09695062 -0.32566175 0.10558338 -0.33921850 Ni 7.32059413 9.13837071 9.11115060 -0.00459248 -0.97158063 -0.55303029