./POSCAR output for 593: M564-TS1-soek_(4940072_SO2_t_3991047)_se_TS1
Status:
terminated
No title
1.0
11.08689900 0.00000000 0.00000000
5.54344883 9.60153657 0.00000000
0.00000000 0.00000000 29.05241200
Pt H O S
64 4 4 1
Direct
0.66066211 0.66302201 0.00073097 # 1 Pt1
0.41089411 0.91307001 0.00057597 # 2 Pt2
0.41087311 0.66312501 0.00083497 # 3 Pt3
0.16072111 0.91306201 0.00106997 # 4 Pt4
0.91058211 0.41290701 0.00075097 # 5 Pt5
0.91100011 0.16269401 0.00109397 # 6 Pt6
0.66092011 0.41293401 0.00089697 # 7 Pt7
0.16089511 0.16289501 0.00066197 # 8 Pt8
0.91075511 0.91303401 0.00121697 # 9 Pt9
0.91043811 0.66322001 0.00063597 # 10 Pt10
0.66061911 0.91301101 0.00081997 # 11 Pt11
0.16072611 0.66312001 0.00070997 # 12 Pt12
0.66091611 0.16274601 0.00096897 # 13 Pt13
0.41108511 0.41281901 0.00080997 # 14 Pt14
0.41096511 0.16277801 0.00086697 # 15 Pt15
0.16082711 0.41285401 0.00056497 # 16 Pt16
0.74424611 0.74579301 0.07980097 # 17 Pt17
0.74456011 0.49539401 0.07989197 # 18 Pt18
0.49435011 0.74608601 0.07974297 # 19 Pt19
0.99422311 0.49566101 0.07936597 # 20 Pt20
0.49447011 0.99568301 0.07999497 # 21 Pt21
0.24456111 0.24569801 0.07970997 # 22 Pt22
0.24456411 0.99604601 0.07974597 # 23 Pt23
0.99481611 0.24519301 0.07989097 # 24 Pt24
0.49451011 0.49569401 0.07975397 # 25 Pt25
0.24421711 0.74568301 0.07985397 # 26 Pt26
0.24445511 0.49546001 0.07945697 # 27 Pt27
0.99451911 0.74552201 0.07989797 # 28 Pt28
0.74492911 0.24511701 0.08000397 # 29 Pt29
0.74431711 0.99560801 0.08015397 # 30 Pt30
0.49457611 0.24553801 0.07995097 # 31 Pt31
0.99492111 0.99479201 0.08052997 # 32 Pt32
0.32847311 0.32787001 0.15733897 # 33 Pt33
0.07775911 0.57792501 0.15677097 # 34 Pt34
0.07743411 0.32788901 0.15718597 # 35 Pt35
0.82776911 0.57786901 0.15726997 # 36 Pt36
0.57813911 0.07852501 0.15791497 # 37 Pt37
0.57791311 0.82843701 0.15773997 # 38 Pt38
0.32772911 0.07875301 0.15770697 # 39 Pt39
0.82763511 0.82904101 0.15761897 # 40 Pt40
0.57853811 0.57806701 0.15734597 # 41 Pt41
0.57929711 0.32788501 0.15745497 # 42 Pt42
0.32793311 0.57825801 0.15704797 # 43 Pt43
0.82857611 0.32733801 0.15777897 # 44 Pt44
0.32726911 0.82980601 0.15723997 # 45 Pt45
0.07781411 0.07815001 0.15794997 # 46 Pt46
0.07858111 0.82726201 0.15844597 # 47 Pt47
0.82847911 0.07792101 0.15813497 # 48 Pt48
0.41303811 0.40923201 0.23567697 # 49 Pt49
0.41167511 0.16020901 0.23695597 # 50 Pt50
0.16037011 0.40898501 0.23507897 # 51 Pt51
0.66189411 0.16059601 0.23723197 # 52 Pt52
0.16169311 0.65990401 0.23639897 # 53 Pt53
0.91086611 0.91124201 0.23736597 # 54 Pt54
0.90935611 0.66164601 0.23543997 # 55 Pt55
0.66106511 0.91139101 0.23707397 # 56 Pt56
0.16110111 0.16039601 0.23693497 # 57 Pt57
0.91068011 0.41088001 0.23673697 # 58 Pt58
0.91135111 0.16083501 0.23737797 # 59 Pt59
0.66222311 0.41082801 0.23702597 # 60 Pt60
0.41130311 0.91155301 0.23690697 # 61 Pt61
0.41197011 0.66268101 0.23520397 # 62 Pt62
0.16151411 0.91156001 0.23720097 # 63 Pt63
0.66124311 0.66143001 0.23686397 # 64 Pt64
0.57638511 0.36187601 0.32917297 # 65 H1
0.45830411 0.55078401 0.30233297 # 66 H2
0.24488511 0.50631601 0.33117197 # 67 H3
0.10281811 0.64921101 0.33079597 # 68 H4
0.42615411 0.56239901 0.33795297 # 69 O1
0.15157011 0.55742901 0.31572597 # 70 O2
0.60224411 0.34743701 0.36362397 # 71 O3
0.33330111 0.46644901 0.38967597 # 72 O4
0.46470811 0.47379301 0.38795397 # 73 S1