28
Lattice="10.854276 0.0 -0.037028 0.0 4.995598 0.0 -2.389227 0.0 7.634624" Properties=species:S:1:pos:R:3:forces:R:3 energy=-116.51276939100718 stress="-0.05861969453685628 1.483740794793683e-07 0.002454702180318854 1.483740794793683e-07 -0.055940059231223534 4.17141267179708e-07 0.002454702180318854 4.17141267179708e-07 -0.06511695767879468" dipole="-0.00018319013417668163 -0.00021978707092316723 0.0001275188549157048" pbc="T T T"
I        3.70109000       3.30210000       1.13633000       0.60375254       0.11854862      -1.31237175
I        0.85747000       0.63439000       1.60095000      -0.07713309       1.30709652      -0.61548295
I        8.80219000       3.13219000       2.17933000       0.07713120       1.30704308       0.61555901
I        5.95857000       0.80430000       2.64395000      -0.60362408       0.11839768       1.31239276
I        2.50648000       4.19130000       4.95364000       0.60365495      -0.11851864      -1.31221968
I       -0.33714000       1.86340000       5.41826000      -0.07717912      -1.30673249      -0.61512434
I        7.60757000       4.36120000       5.99665000       0.07742557      -1.30676517       0.61507230
I        4.76396000       1.69350000       6.46127000      -0.60387823      -0.11853171       1.31231723
O        8.58994000       2.66322000       0.43566000      -0.04844572      -0.21667260      -1.16097065
O        2.45473000       4.85031000       0.88289000       0.36117410       0.12565513      -0.45330401
O       -0.22866000       4.19699000       1.14040000      -0.57635772      -0.78881906      -0.34092586
O        5.10798000       1.67910000       1.18173000      -0.24057478       0.21117455      -0.68837649
O        7.03957000       4.91073000       1.51071000       0.80154129      -0.67367934      -0.88057990
O        2.62010000       2.41293000       2.26957000      -0.80166666      -0.67361687       0.88068709
O        4.55168000       4.17690000       2.59856000       0.24055557       0.21092571       0.68824387
O        9.88832000       1.69919000       2.63988000       0.57633455      -0.78862936       0.34090592
O        7.20493000       2.35251000       2.89739000      -0.36113555       0.12564736       0.45329064
O        1.06972000       0.16542000       3.34462000       0.04845888      -0.21699776       1.16095597
O        7.39533000       4.83018000       4.25297000      -0.04844108       0.21687768      -1.16059689
O        1.26012000       2.64309000       4.70020000       0.36112113      -0.12565464      -0.45327860
O       -1.42327000       3.29641000       4.95772000      -0.57627292       0.78849661      -0.34089596
O        3.91337000       0.81870000       4.99904000      -0.24052968      -0.21091219      -0.68823108
O        5.84495000       2.58267000       5.32803000       0.80168443       0.67362652      -0.88070148
O        1.42548000       0.08487000       6.08688000      -0.80154099       0.67368327       0.88057844
O        3.35707000       3.31650000       6.41587000       0.24053267      -0.21113640       0.68824707
O        8.69371000       0.79861000       6.45719000       0.57620322       0.78860158       0.34089447
O        6.01032000       0.14529000       6.71471000      -0.36120538      -0.12565195       0.45332732
O       -0.12489000       2.33238000       7.16194000       0.04841495       0.21654448       1.16058765