64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-357.23264224643594 stress="-0.00020275665249591871 -0.0001579889380107839 -5.3654272911591477e-05 -0.0001579889380107839 -0.0002802782714530943 -7.993223404197905e-05 -5.3654272911591477e-05 -7.993223404197905e-05 -0.00021312524330338343" free_energy=-357.23264224643594 pbc="F F F" Mo 35.01251597 34.56594767 35.23125055 -0.96528092 -1.20096960 -1.68754173 Ni 35.99167486 35.85444589 36.62485590 2.79725936 0.72840132 2.07664924 Ni 37.89002166 37.29458541 34.83791340 -0.17981661 -2.19682583 -0.88776238 Mo 38.31446472 38.67377410 36.39948215 1.69948352 -6.19826850 -3.78607851 Mo 37.86439851 34.62254819 37.89374367 -3.79993456 -9.17637375 -4.97758104 Ni 38.35537431 35.95644875 38.58370573 4.02460010 10.21069511 5.37604980 Ni 34.66891333 37.22529827 37.65541676 -0.86064579 -0.50918046 0.86098435 Mo 36.14877217 38.56216560 38.76470491 -2.51507075 -1.18835023 2.21503180 Ni 39.62391336 35.03723568 35.17345848 -0.86598340 0.56606569 0.34908452 Ni 41.21710492 36.23357541 35.97533278 -2.87885118 -3.93565921 6.31887942 Ni 41.94343093 37.08957024 35.07643925 3.33353487 5.00099144 -3.35087260 Mo 43.54620590 38.94057203 36.22959309 0.53749083 -2.43777368 -1.63544333 Mo 41.77069021 34.64525559 38.26041627 -0.64025921 2.00730312 0.55523599 Ni 43.72188047 36.58003905 38.86710779 0.52922938 -2.64716996 -2.58945313 Mo 40.12548623 37.81228376 37.54928439 -0.53645810 -1.44171819 -4.09919022 Mo 40.92001461 38.76654600 39.19479542 4.11613357 0.46233453 -0.83850913 Ni 34.72877763 39.90880530 35.58254576 0.79485545 0.91452143 0.98754514 Ni 36.67712754 41.97263674 36.61047368 3.58217567 -2.50329724 0.98810452 Ni 36.70224620 42.86380664 34.82791938 0.20295304 1.07446472 -0.88409925 Ni 39.09793362 43.64599262 36.23918047 -2.44007015 1.72408780 -1.37058650 Mo 37.52000943 39.70578592 37.56637917 -1.55955706 8.07787599 5.34872011 Mo 39.55366199 41.19883672 38.43946596 -1.81571947 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38.79163954 41.18171700 3.85040031 -1.11440913 4.50438564 Mo 37.08004603 35.01001366 42.61138709 1.06672650 0.27551347 0.16802152 Ni 38.64878546 36.53489687 43.69629530 -3.78593109 -2.68080929 2.23381288 Mo 34.80456835 37.89534354 42.57023254 0.85813584 -0.35505765 -0.16289354 Ni 36.00522559 39.15429937 44.17718342 0.69814608 0.24774200 -1.25330877 Mo 40.10299683 34.96836453 40.35886605 -4.66917176 -3.77591810 -4.02373087 Mo 41.48166904 36.19237275 41.11531311 1.76862816 7.16896674 1.08006934 Mo 42.77221949 37.85007120 40.10231780 -3.25932005 0.11869056 0.38740464 Ni 44.12283489 38.77776773 41.16501309 1.51988712 2.82261469 3.25251351 Ni 42.31677778 34.76917747 42.15309958 1.98867880 -2.85860470 2.44005806 Ni 44.03726718 36.01101844 43.41480085 -0.60537843 -0.18583971 -0.45989626 Ni 39.70872728 37.42410853 42.80607962 3.74408733 2.93358508 -4.03896944 Mo 41.60603343 39.00949199 43.54273725 -6.70205478 -10.08543541 4.29413554 Ni 34.92709151 40.44742274 39.88761442 -1.12934559 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42.10421160 4.17444905 -3.93464538 0.81161234 Ni 41.34986517 43.59136491 43.53688643 -0.06563567 -1.48491820 -0.98165734