32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=695.4647858392343 stress="-11.695505772442475 -1.1627922971590354 -0.30219362572959413 -1.1627922971590354 -9.914761214357922 0.5040317614120078 -0.30219362572959413 0.5040317614120078 -12.761373549279934" free_energy=695.4647858392343 pbc="F F F" Fe 0.43358602 0.11615796 0.25975238 -27.55889020 -17.73250052 -65.18342193 Fe 1.78054171 1.60031152 0.05442580 -13.86222665 -62.45957192 -90.57250781 Fe 1.11848324 0.13572127 1.55791531 40.44806485 -74.66844433 2.00106190 W 0.08501927 1.71130323 1.50693356 -159.62389181 -30.77939835 -60.97635608 W 3.16501753 0.22580078 0.18883157 -111.82226207 -61.23753992 -106.68787294 Fe 4.49955875 1.54313966 0.25980354 37.11425805 101.13654409 -77.01831776 W 4.46667242 0.27143892 1.40295338 123.79773245 -112.20473885 108.99748983 Fe 3.14144893 1.74759167 1.68816050 10.69666664 -49.24686354 -30.09038321 Fe 0.18843096 3.43660813 0.29169807 -33.23644369 10.34933566 -40.84469189 Fe 1.64781124 4.50588436 0.20043693 -14.04185444 21.40688933 -28.64769649 W 1.64982991 2.74795387 1.32929456 -58.74447417 97.38363291 153.43575417 Fe 0.28095696 4.31973823 1.76008946 -244.29591628 -8.57193189 -224.59055608 Fe 2.87675974 2.85329799 0.28460712 116.30490460 4.94318819 -126.17579952 W 4.25346517 4.45818250 0.11893942 166.85335877 2.56187495 -199.94037179 Fe 4.22956938 2.91052235 1.46515582 46.88562328 -10.14214139 -5.40381967 W 3.23010044 4.59566688 1.33752253 -155.01521718 70.05976390 176.14594689 Fe 0.12033173 0.17828948 3.38562529 -118.78857802 -123.90060429 20.73177696 W 1.29301824 1.23241985 2.97666435 151.62504551 106.82681028 25.65226517 Fe 1.46871388 0.04579730 4.66911338 5.11253850 -14.22565739 25.86733860 Fe 0.12365747 1.39645943 4.45297513 -33.65769121 19.94949105 49.85127367 W 3.04722541 0.04737131 3.03238783 -110.97476627 -61.93353476 -97.84319849 W 4.74404962 1.36810690 3.12937675 115.18125172 91.82584186 -61.60264392 W 4.25818085 0.09119645 4.29640878 82.05728078 -109.05510111 197.33554905 Fe 3.21456242 1.77913633 4.35263676 12.51359587 -169.71992733 247.08766049 Fe 0.18492541 2.88824983 2.91825907 -48.21436315 8.39991275 32.11626910 W 1.26192411 4.46490969 2.76260376 270.72877162 88.68047892 178.85996825 W 1.62263099 3.04530481 4.45206007 -157.75833379 -166.92182321 73.00569645 W 0.12593290 4.34000708 4.39901191 -85.30717113 49.84977667 59.89825736 W 3.08793443 2.70122014 3.23212867 -40.01919402 117.43900486 -249.07894483 W 4.25294705 4.26067717 3.14299090 94.59631720 92.17130007 -30.52661250 Fe 4.69104769 2.99035280 4.45283623 36.67422799 -14.05092954 51.24450957 W 2.78353165 4.20072959 4.51229390 102.33163625 203.86686285 92.95237747