#MD System 2.0

@Title Kainite_XRD_1.cif_P1 (0 0 1)  surface

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	Spin	double	0.0
	WyckoffPosition	int	-1
@end
@data
19 {} {0.730042499884 0 0.715605594992} K1 1 0.0 1
19 {} {0.230042499884 0.5 0.715605594992} K2 2 0.0 1
16 {} {0.412479015482 0.148847211724 0.638511698243} S1 3 0.0 1
16 {} {0.412479015482 0.851152788276 0.638511698243} S2 4 0.0 1
16 {} {0.912479015482 0.648847211724 0.638511698243} S3 5 0.0 1
16 {} {0.912479015482 0.351152788276 0.638511698243} S4 6 0.0 1
17 {} {0.364624659182 0.390538965792 0.734377204168} Cl1 7 0.0 1
17 {} {0.364624659182 0.609461034208 0.734377204168} Cl2 8 0.0 1
17 {} {0.864624659182 0.890538965792 0.734377204168} Cl3 9 0.0 1
17 {} {0.864624659182 0.109461034208 0.734377204168} Cl4 10 0.0 1
8 {} {0.593136323476 0.232099909452 0.70164451163} O1 11 0.0 1
8 {} {0.593136323476 0.767900090548 0.70164451163} O2 12 0.0 1
8 {} {0.0931363234758 0.732099909452 0.70164451163} O3 13 0.0 1
8 {} {0.0931363234758 0.267900090548 0.70164451163} O4 14 0.0 1
8 {} {0.601402435811 0.0821284624184 0.685415303928} O5 15 0.0 1
8 {} {0.601402435811 0.917871537582 0.685415303928} O6 16 0.0 1
8 {} {0.101402435811 0.582128462418 0.685415303928} O7 17 0.0 1
8 {} {0.101402435811 0.417871537582 0.685415303928} O8 18 0.0 1
8 {} {0.353327623316 0.150640677273 0.674969800344} O9 19 0.0 1
8 {} {0.353327623316 0.849359322727 0.674969800344} O10 20 0.0 1
8 {} {0.853327623316 0.650640677273 0.674969800344} O11 21 0.0 1
8 {} {0.853327623316 0.349359322727 0.674969800344} O12 22 0.0 1
8 {} {0.387688139023 0.129343607014 0.579782183441} O13 23 0.0 1
8 {} {0.387688139023 0.870656392986 0.579782183441} O14 24 0.0 1
8 {} {0.887688139023 0.629343607014 0.579782183441} O15 25 0.0 1
8 {} {0.887688139023 0.370656392986 0.579782183441} O16 26 0.0 1
19 {} {0.79018241781 0 0.453406865774} K7 27 0.0 1
19 {} {0.29018241781 0.5 0.453406865774} K8 28 0.0 1
19 {} {0.172939286536 0 0.516726229049} K9 29 0.0 1
19 {} {0.672939286536 0.5 0.516726229049} K10 30 0.0 1
19 {} {0.284940810291 0 0.668106018663} K11 31 0.0 1
19 {} {0.784940810291 0.5 0.668106018663} K12 32 0.0 1
19 {} {0.320934992365 0.316684891447 0.628959623789} K15 33 0.0 1
19 {} {0.320934992365 0.683315108553 0.628959623789} K16 34 0.0 1
19 {} {0.820934992365 0.816684891447 0.628959623789} K17 35 0.0 1
19 {} {0.820934992365 0.183315108553 0.628959623789} K18 36 0.0 1
19 {} {0.686926429901 0.337732193842 0.350378127551} K19 37 0.0 1
19 {} {0.686926429901 0.662267806158 0.350378127551} K20 38 0.0 1
19 {} {0.186926429901 0.837732193842 0.350378127551} K21 39 0.0 1
19 {} {0.186926429901 0.162267806158 0.350378127551} K22 40 0.0 1
12 {} {0.987332617674 0 0.466951430714} Mg1 41 0.0 1
12 {} {0.487332617674 0.5 0.466951430714} Mg2 42 0.0 1
12 {} {0.533838953267 0 0.656131604698} Mg3 43 0.0 1
12 {} {0.0338389532671 0.5 0.656131604698} Mg4 44 0.0 1
12 {} {0.736772531668 0.250569740505 0.484454840384} Mg5 45 0.0 1
12 {} {0.736772531668 0.749430259495 0.484454840384} Mg6 46 0.0 1
12 {} {0.236772531668 0.750569740505 0.484454840384} Mg7 47 0.0 1
12 {} {0.236772531668 0.249430259495 0.484454840384} Mg8 48 0.0 1
12 {} {0.501974236138 0.201972859564 0.457164935498} Mg9 49 0.0 1
12 {} {0.501974236138 0.798027140436 0.457164935498} Mg10 50 0.0 1
12 {} {0.00197423613821 0.701972859564 0.457164935498} Mg11 51 0.0 1
12 {} {0.00197423613821 0.298027140436 0.457164935498} Mg12 52 0.0 1
12 {} {0.537297398682 0.288439531946 0.640408490967} Mg13 53 0.0 1
12 {} {0.537297398682 0.711560468054 0.640408490967} Mg14 54 0.0 1
12 {} {0.0372973986824 0.788439531946 0.640408490967} Mg15 55 0.0 1
12 {} {0.0372973986824 0.211560468054 0.640408490967} Mg16 56 0.0 1
16 {} {0.389081282488 0.333049694738 0.482852424974} S5 57 0.0 1
16 {} {0.389081282488 0.666950305262 0.482852424974} S6 58 0.0 1
16 {} {0.889081282488 0.833049694738 0.482852424974} S7 59 0.0 1
16 {} {0.889081282488 0.166950305262 0.482852424974} S8 60 0.0 1
16 {} {0.587351281463 0.330512535973 0.463077298576} S9 61 0.0 1
16 {} {0.587351281463 0.669487464027 0.463077298576} S10 62 0.0 1
16 {} {0.0873512814632 0.830512535973 0.463077298576} S11 63 0.0 1
16 {} {0.0873512814632 0.169487464027 0.463077298576} S12 64 0.0 1
16 {} {0.622548590177 0.165977016576 0.665745327197} S13 65 0.0 1
16 {} {0.622548590177 0.834022983424 0.665745327197} S14 66 0.0 1
16 {} {0.122548590177 0.665977016576 0.665745327197} S15 67 0.0 1
16 {} {0.122548590177 0.334022983424 0.665745327197} S16 68 0.0 1
17 {} {0.258763151081 0 0.314472559155} Cl5 69 0.0 1
17 {} {0.758763151081 0.5 0.314472559155} Cl6 70 0.0 1
17 {} {0.731312404693 0 0.571482966388} Cl7 71 0.0 1
17 {} {0.231312404693 0.5 0.571482966388} Cl8 72 0.0 1
17 {} {0.319252163955 0 0.475382206349} Cl9 73 0.0 1
17 {} {0.819252163955 0.5 0.475382206349} Cl10 74 0.0 1
17 {} {0.641655977909 0 0.400539634231} Cl11 75 0.0 1
17 {} {0.141655977909 0.5 0.400539634231} Cl12 76 0.0 1
17 {} {0.638051594375 0.384032311304 0.615005776887} Cl17 77 0.0 1
17 {} {0.638051594375 0.615967688696 0.615005776887} Cl18 78 0.0 1
17 {} {0.138051594375 0.884032311304 0.615005776887} Cl19 79 0.0 1
17 {} {0.138051594375 0.115967688696 0.615005776887} Cl20 80 0.0 1
8 {} {0.44702828823 0.231537894025 0.637412273936} O23 81 0.0 1
8 {} {0.44702828823 0.768462105975 0.637412273936} O24 82 0.0 1
8 {} {0.94702828823 0.731537894025 0.637412273936} O25 83 0.0 1
8 {} {0.94702828823 0.268462105975 0.637412273936} O26 84 0.0 1
8 {} {0.413147465657 0.260502595556 0.445690508004} O31 85 0.0 1
8 {} {0.413147465657 0.739497404444 0.445690508004} O32 86 0.0 1
8 {} {0.913147465657 0.760502595556 0.445690508004} O33 87 0.0 1
8 {} {0.913147465657 0.239497404444 0.445690508004} O34 88 0.0 1
8 {} {0.557026406944 0.281204447586 0.508953200084} O35 89 0.0 1
8 {} {0.557026406944 0.718795552414 0.508953200084} O36 90 0.0 1
8 {} {0.0570264069439 0.781204447586 0.508953200084} O37 91 0.0 1
8 {} {0.0570264069439 0.218795552414 0.508953200084} O38 92 0.0 1
8 {} {0.411560914755 0.321253230072 0.539412255411} O39 93 0.0 1
8 {} {0.411560914755 0.678746769928 0.539412255411} O40 94 0.0 1
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8 {} {0.911560914755 0.178746769928 0.539412255411} O42 96 0.0 1
8 {} {0.565479803404 0.287317662114 0.410365375615} O43 97 0.0 1
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1 {} {0.379684346481 0 0.345823281054} H7 173 0.0 1
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