500 Lattice="17.790320442855478 0.0 0.0 0.0 17.790320442855478 0.0 0.0 0.0 17.790320442855478" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2021.7477526286282 stress="-0.00900448318027104 -0.0016428881832402703 -0.0009026608358717541 -0.0016428881832402703 -0.011278969076904568 0.0016403834634690392 -0.0009026608358717541 0.0016403834634690392 -0.010304577729060967" pbc="F F F" Fe 0.02082164 0.01110126 0.00321668 1.05535986 1.06441992 0.94136149 V 1.76453527 1.79996429 0.00671214 0.06823956 -0.50961180 -0.26631214 V 1.77727509 0.00215104 1.80846536 -0.14087829 -0.75561009 -0.19115538 V 0.00829480 1.78675361 1.78435247 -0.81617812 -0.11331527 -0.04199043 V 3.55029950 0.04683494 0.05296121 0.04577507 -0.00088582 -0.28462068 V 5.34835163 1.80373698 0.00324445 0.07748091 -0.48523414 -0.25776979 Fe 5.31058638 0.00265280 1.79083785 0.36250923 0.17947352 0.14026220 Fe 3.57180577 1.74958056 1.75971569 -0.51669022 0.73859909 0.12916910 Fe 7.12055731 0.02565941 0.03104158 -0.50722639 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