32
Lattice="7.937252009066722 0.0 0.0 0.0 7.937252009066722 0.0 0.0 0.0 7.937252009066722" Properties=species:S:1:pos:R:3:forces:R:3 energy=-118.46488998115247 stress="-0.015520843487593453 0.002899282674126965 4.8667135161079215e-05 0.002899282674126965 -0.016289726195747718 0.0005000646711153682 4.8667135161079215e-05 0.0005000646711153682 -0.015470193362488505" free_energy=-118.46488998115247 pbc="F F F"
Ti       0.02562070       0.02556714       0.01678460       0.53189572       0.58094288       0.51746536
Ti       2.01153632       1.98917597       0.00010966      -0.26161035      -0.14437043      -0.99924034
Ti       1.96742843       0.01600586       1.98344152       0.09630841      -0.77602138      -0.06946185
Ti       0.01345101       1.99701147       2.00203203      -0.96385389      -0.27578015      -0.21505708
Ti       3.95784208       0.04898184       0.00502767       0.12250080      -0.14298935       0.14238707
Ti       5.91851025       2.01591675       0.04825858       0.39612167      -0.09865851      -0.14560856
Ti       5.98196472       0.03297298       2.03248681      -0.16946112       0.12557903      -0.08235145
Ti       4.00750037       2.01265618       1.94974350      -0.23926132      -0.29666863       0.52354683
Ti       0.04303483       3.96112088       0.04761246      -0.17435726       0.07039204      -0.20305672
Ti       2.00851655       5.95193460       0.02953160      -0.00182576      -0.05687142       0.05559344
Ti       1.98510423       3.95384247       1.94650651       0.24043858       0.36789771       0.41116948
Ti       0.01403010       5.94491647       2.00155202       0.20423644      -0.12188607       0.12235374
Ti       4.00968044       3.96943221       0.01633338      -0.10136326       0.32454813      -1.14087436
Ti       5.97144160       5.93741893       0.02773617      -0.36915886      -0.43141961       0.34268003
Ti       5.96520884       4.03520783       2.02161787       1.12542830      -0.35761930      -0.17173929
Ti       4.03442383       5.95781598       1.94536498      -0.43692103       0.94257771       0.30405738
Ti       0.04753728       0.04030103       3.99370424      -0.23210565      -0.11875646      -0.18220461
Ti       1.98575841       2.01455907       4.00151902       0.22477174      -0.16344586      -0.51904473
Ti       1.97206649       0.05727633       5.91558933       0.24510547      -0.17809388       0.24683214
Ti       0.02562347       2.02830168       5.92125452      -0.18527547      -0.01680740       0.32371240
Ti       3.97062226       0.03307130       3.94519716       0.14326772      -0.83222908       0.18385007
Ti       5.95008098       2.02282517       4.00768622       1.04091153      -0.39195282      -0.15032615
Ti       5.94488551       0.00969569       5.94412394      -0.65592683       0.64382627      -0.65035732
Ti       3.96458755       2.02110160       5.94304383       0.16852172      -0.41144394       1.16440407
Ti       0.02886582       3.94167459       3.97517075      -1.07476449       0.49212495      -0.11707571
Ti       2.01616811       5.91821857       4.00826552      -0.06423336       1.05772352      -0.51093548
Ti       1.99646332       4.01020430       5.94826567      -0.05416120      -0.10202891       1.25654669
Ti       0.03604615       5.92660760       5.92112589       0.35320081      -0.41988948      -0.44535625
Ti       3.96779458       3.93800307       3.97040739       0.08060975       0.57836338      -0.24814044
Ti       5.98292667       5.95989576       3.94200653      -0.21391413      -0.01504119       0.21606424
Ti       5.93057184       3.97809435       5.92509674       0.15712641       0.12914703       0.12448859
Ti       3.99609370       5.93534365       5.94639153       0.06774893       0.03885121      -0.08432119