32 Lattice="7.754910165548655 0.0 0.0 0.0 7.754910165548655 0.0 0.0 0.0 7.754910165548655" Properties=species:S:1:pos:R:3:forces:R:3 energy=-145.6789881817892 stress="0.09885722907256078 -0.16045237932288786 0.10480731227025296 -0.16045237932288786 0.37472264611760797 -0.2617727151375695 0.10480731227025296 -0.2617727151375695 0.07142881583511072" free_energy=-145.6789881817892 pbc="F F F" Ti 0.03369753 0.02199115 0.06743010 -0.60163902 0.52424548 -0.48426463 Ti 1.98316564 1.92290242 0.04985830 -0.14954034 2.12303983 -1.14370570 Nb 1.92058118 0.00968623 1.95821217 -24.10095742 50.55381094 -24.38853598 Ti 0.03410940 1.94290822 1.89351545 -2.35756619 1.71435738 -0.95140235 Al 3.89910360 0.03477080 0.01627516 -0.70146544 -0.97132685 -0.47430153 Ti 5.82164753 1.90502182 0.00545449 -0.45339333 0.57030709 1.10150885 Ti 5.83446663 0.02175019 1.87698078 -0.21700605 -0.16295971 -0.23994385 Ti 3.87533659 1.91987329 1.94620852 1.49761225 1.31278090 -2.95976770 Al 0.04354806 3.92137771 0.02434025 25.95110294 -53.65226947 27.06309546 Al 1.93343626 5.81912718 0.00535010 -0.16274695 -0.10622200 0.96092750 Al 1.96834091 3.88606977 1.93933295 -0.19966764 0.64192027 0.44576056 Nb 0.00737376 5.83639660 1.93219225 2.14404715 -1.68569307 0.48470481 Al 3.91060824 3.91086496 0.01173944 -0.16800893 0.43347219 -1.17830124 Nb 5.78764076 5.80568030 0.04128882 -1.25466499 -0.50945440 0.43916171 Ti 5.78113063 3.84265148 1.90871731 1.83292337 -1.23107228 -1.52767107 Al 3.90113913 5.76245708 1.94996703 -0.42880795 1.18953889 0.12362550 Al 0.04326542 0.02730821 3.86232733 -0.14220889 0.08028311 -0.25410739 Nb 1.95762893 1.92799790 3.89404222 0.76547429 -0.02504002 -0.48456217 Ti 1.91156065 0.02758692 5.80819118 1.46206164 -1.77492601 1.33785282 Nb 0.00196761 1.89847507 5.75381524 -1.13151111 0.35230796 -0.66361037 Al 3.87759303 0.02725225 3.85902952 0.31200321 -0.71965702 0.50088932 Nb 5.82302943 1.93289975 3.87643576 5.06892079 -11.23738172 -1.33204394 Nb 5.82576043 0.03596573 5.82591583 -1.07444505 1.88142295 -2.00497798 Al 3.84160811 1.94036393 5.82411513 1.64705569 2.11402201 -0.69139217 Al 0.03074322 3.83293434 3.88600654 -0.60051972 0.64043176 -0.09440218 Nb 1.92089048 5.83626177 3.88022871 0.03450073 -0.14132282 -1.78527308 Ti 1.92938583 3.91716859 5.80030663 1.25068862 0.06741690 3.46991504 Nb 0.03726049 5.83159839 5.84092318 0.35871284 -0.07445018 -1.68266740 Nb 3.89625879 3.90796244 3.87522024 -1.24775441 0.36537291 -0.60367759 Nb 5.77898419 5.83099751 3.90545042 -2.67387654 -1.89951260 0.50617910 Ti 5.84227868 3.91078812 5.84308178 0.46103965 -0.23680580 2.30696422 Al 3.89781311 5.81538585 5.82486986 -5.12036320 9.86336337 4.20402346