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mykd

water_OO_structure_factor

Feb 21st, 2024
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  1. #q; Norm2; err_norm2
  2. 7.027826E+00; -3.235879E-01; 3.433183E-06
  3. 7.120845E+00; -3.249639E-01; 3.401932E-06
  4. 7.213864E+00; -3.262598E-01; 3.386715E-06
  5. 7.306882E+00; -3.274752E-01; 3.385868E-06
  6. 7.399901E+00; -3.286103E-01; 3.397331E-06
  7. 7.492920E+00; -3.296650E-01; 3.418763E-06
  8. 7.585938E+00; -3.306397E-01; 3.447688E-06
  9. 7.678957E+00; -3.315349E-01; 3.481614E-06
  10. 7.771976E+00; -3.323513E-01; 3.518136E-06
  11. 7.864994E+00; -3.330897E-01; 3.555012E-06
  12. 7.958013E+00; -3.337512E-01; 3.590210E-06
  13. 8.051032E+00; -3.343368E-01; 3.621942E-06
  14. 8.144051E+00; -3.348480E-01; 3.648677E-06
  15. 8.237069E+00; -3.352861E-01; 3.669145E-06
  16. 8.330088E+00; -3.356528E-01; 3.682328E-06
  17. 8.423107E+00; -3.359498E-01; 3.687463E-06
  18. 8.516125E+00; -3.361789E-01; 3.684022E-06
  19. 8.609144E+00; -3.363421E-01; 3.671701E-06
  20. 8.702163E+00; -3.364414E-01; 3.650423E-06
  21. 8.795181E+00; -3.364788E-01; 3.620309E-06
  22. 8.888200E+00; -3.364565E-01; 3.581678E-06
  23. 8.981219E+00; -3.363768E-01; 3.535041E-06
  24. 9.074237E+00; -3.362418E-01; 3.481087E-06
  25. 9.167256E+00; -3.360539E-01; 3.420679E-06
  26. 9.260275E+00; -3.358154E-01; 3.354843E-06
  27. 9.353293E+00; -3.355285E-01; 3.284762E-06
  28. 9.446312E+00; -3.351956E-01; 3.211761E-06
  29. 9.539331E+00; -3.348187E-01; 3.137292E-06
  30. 9.632349E+00; -3.344003E-01; 3.062918E-06
  31. 9.725368E+00; -3.339424E-01; 2.990274E-06
  32. 9.818387E+00; -3.334471E-01; 2.921042E-06
  33. 9.911406E+00; -3.329164E-01; 2.856893E-06
  34. 1.000442E+01; -3.323522E-01; 2.799427E-06
  35. 1.009744E+01; -3.317563E-01; 2.750106E-06
  36. 1.019046E+01; -3.311305E-01; 2.710175E-06
  37. 1.028348E+01; -3.304763E-01; 2.680586E-06
  38. 1.037650E+01; -3.297951E-01; 2.661935E-06
  39. 1.046952E+01; -3.290882E-01; 2.654420E-06
  40. 1.056254E+01; -3.283568E-01; 2.657825E-06
  41. 1.065555E+01; -3.276018E-01; 2.671538E-06
  42. 1.074857E+01; -3.268241E-01; 2.694602E-06
  43. 1.084159E+01; -3.260242E-01; 2.725773E-06
  44. 1.093461E+01; -3.252028E-01; 2.763614E-06
  45. 1.102763E+01; -3.243599E-01; 2.806575E-06
  46. 1.112065E+01; -3.234957E-01; 2.853061E-06
  47. 1.121367E+01; -3.226102E-01; 2.901499E-06
  48. 1.130669E+01; -3.217030E-01; 2.950398E-06
  49. 1.139970E+01; -3.207737E-01; 2.998366E-06
  50. 1.149272E+01; -3.198215E-01; 3.044164E-06
  51. 1.158574E+01; -3.188457E-01; 3.086685E-06
  52. 1.167876E+01; -3.178452E-01; 3.125005E-06
  53. 1.177178E+01; -3.168187E-01; 3.158344E-06
  54. 1.186480E+01; -3.157650E-01; 3.186103E-06
  55. 1.195782E+01; -3.146825E-01; 3.207837E-06
  56. 1.205084E+01; -3.135693E-01; 3.223269E-06
  57. 1.214385E+01; -3.124237E-01; 3.232274E-06
  58. 1.223687E+01; -3.112437E-01; 3.234883E-06
  59. 1.232989E+01; -3.100270E-01; 3.231277E-06
  60. 1.242291E+01; -3.087714E-01; 3.221779E-06
  61. 1.251593E+01; -3.074746E-01; 3.206849E-06
  62. 1.260895E+01; -3.061340E-01; 3.187087E-06
  63. 1.270197E+01; -3.047470E-01; 3.163215E-06
  64. 1.279498E+01; -3.033111E-01; 3.136062E-06
  65. 1.288800E+01; -3.018234E-01; 3.106574E-06
  66. 1.298102E+01; -3.002813E-01; 3.075777E-06
  67. 1.307404E+01; -2.986818E-01; 3.044771E-06
  68. 1.316706E+01; -2.970224E-01; 3.014699E-06
  69. 1.326008E+01; -2.953000E-01; 2.986719E-06
  70. 1.335310E+01; -2.935120E-01; 2.961979E-06
  71. 1.344612E+01; -2.916556E-01; 2.941559E-06
  72. 1.353913E+01; -2.897280E-01; 2.926452E-06
  73. 1.363215E+01; -2.877266E-01; 2.917509E-06
  74. 1.372517E+01; -2.856489E-01; 2.915408E-06
  75. 1.381819E+01; -2.834924E-01; 2.920616E-06
  76. 1.391121E+01; -2.812547E-01; 2.933375E-06
  77. 1.400423E+01; -2.789336E-01; 2.953689E-06
  78. 1.409725E+01; -2.765270E-01; 2.981327E-06
  79. 1.419026E+01; -2.740329E-01; 3.015852E-06
  80. 1.428328E+01; -2.714496E-01; 3.056631E-06
  81. 1.437630E+01; -2.687755E-01; 3.102882E-06
  82. 1.446932E+01; -2.660092E-01; 3.153708E-06
  83. 1.456234E+01; -2.631496E-01; 3.208148E-06
  84. 1.465536E+01; -2.601956E-01; 3.265191E-06
  85. 1.474838E+01; -2.571465E-01; 3.323833E-06
  86. 1.484140E+01; -2.540018E-01; 3.383094E-06
  87. 1.493441E+01; -2.507612E-01; 3.442038E-06
  88. 1.502743E+01; -2.474247E-01; 3.499799E-06
  89. 1.512045E+01; -2.439926E-01; 3.555584E-06
  90. 1.521347E+01; -2.404654E-01; 3.608697E-06
  91. 1.530649E+01; -2.368438E-01; 3.658533E-06
  92. 1.539951E+01; -2.331289E-01; 3.704586E-06
  93. 1.549253E+01; -2.293219E-01; 3.746458E-06
  94. 1.558555E+01; -2.254245E-01; 3.783844E-06
  95. 1.567856E+01; -2.214385E-01; 3.816548E-06
  96. 1.577158E+01; -2.173660E-01; 3.844461E-06
  97. 1.586460E+01; -2.132094E-01; 3.867588E-06
  98. 1.595762E+01; -2.089713E-01; 3.886012E-06
  99. 1.605064E+01; -2.046546E-01; 3.899905E-06
  100. 1.614366E+01; -2.002624E-01; 3.909524E-06
  101. 1.623668E+01; -1.957981E-01; 3.915197E-06
  102. 1.632969E+01; -1.912652E-01; 3.917321E-06
  103. 1.642271E+01; -1.866676E-01; 3.916346E-06
  104. 1.651573E+01; -1.820093E-01; 3.912781E-06
  105. 1.660875E+01; -1.772945E-01; 3.907157E-06
  106. 1.670177E+01; -1.725276E-01; 3.900041E-06
  107. 1.679479E+01; -1.677131E-01; 3.892008E-06
  108. 1.688781E+01; -1.628558E-01; 3.883629E-06
  109. 1.698083E+01; -1.579604E-01; 3.875462E-06
  110. 1.707384E+01; -1.530321E-01; 3.868033E-06
  111. 1.716686E+01; -1.480757E-01; 3.861827E-06
  112. 1.725988E+01; -1.430966E-01; 3.857265E-06
  113. 1.735290E+01; -1.380998E-01; 3.854702E-06
  114. 1.744592E+01; -1.330908E-01; 3.854419E-06
  115. 1.753894E+01; -1.280748E-01; 3.856604E-06
  116. 1.763196E+01; -1.230570E-01; 3.861359E-06
  117. 1.772497E+01; -1.180430E-01; 3.868701E-06
  118. 1.781799E+01; -1.130378E-01; 3.878547E-06
  119. 1.791101E+01; -1.080469E-01; 3.890743E-06
  120. 1.800403E+01; -1.030754E-01; 3.905050E-06
  121. 1.809705E+01; -9.812835E-02; 3.921177E-06
  122. 1.819007E+01; -9.321086E-02; 3.938769E-06
  123. 1.828309E+01; -8.832780E-02; 3.957443E-06
  124. 1.837611E+01; -8.348397E-02; 3.976785E-06
  125. 1.846912E+01; -7.868398E-02; 3.996379E-06
  126. 1.856214E+01; -7.393232E-02; 4.015802E-06
  127. 1.865516E+01; -6.923327E-02; 4.034660E-06
  128. 1.874818E+01; -6.459092E-02; 4.052578E-06
  129. 1.884120E+01; -6.000919E-02; 4.069228E-06
  130. 1.893422E+01; -5.549173E-02; 4.084323E-06
  131. 1.902724E+01; -5.104201E-02; 4.097642E-06
  132. 1.912026E+01; -4.666323E-02; 4.109016E-06
  133. 1.921327E+01; -4.235834E-02; 4.118356E-06
  134. 1.930629E+01; -3.813005E-02; 4.125632E-06
  135. 1.939931E+01; -3.398080E-02; 4.130894E-06
  136. 1.949233E+01; -2.991274E-02; 4.134265E-06
  137. 1.958535E+01; -2.592776E-02; 4.135938E-06
  138. 1.967837E+01; -2.202747E-02; 4.136175E-06
  139. 1.977139E+01; -1.821320E-02; 4.135303E-06
  140. 1.986440E+01; -1.448599E-02; 4.133711E-06
  141. 1.995742E+01; -1.084659E-02; 4.131838E-06
  142. 2.005044E+01; -7.295484E-03; 4.130162E-06
  143. 2.014346E+01; -3.832862E-03; 4.129195E-06
  144. 2.023648E+01; -4.586452E-04; 4.129468E-06
  145. 2.032950E+01; 2.827519E-03; 4.131515E-06
  146. 2.042252E+01; 6.026248E-03; 4.135858E-06
  147. 2.051554E+01; 9.138416E-03; 4.143001E-06
  148. 2.060855E+01; 1.216515E-02; 4.153398E-06
  149. 2.070157E+01; 1.510781E-02; 4.167453E-06
  150. 2.079459E+01; 1.796800E-02; 4.185502E-06
  151. 2.088761E+01; 2.074752E-02; 4.207792E-06
  152. 2.098063E+01; 2.344840E-02; 4.234488E-06
  153. 2.107365E+01; 2.607284E-02; 4.265660E-06
  154. 2.116667E+01; 2.862324E-02; 4.301269E-06
  155. 2.125968E+01; 3.110215E-02; 4.341191E-06
  156. 2.135270E+01; 3.351227E-02; 4.385200E-06
  157. 2.144572E+01; 3.585644E-02; 4.432981E-06
  158. 2.153874E+01; 3.813761E-02; 4.484148E-06
  159. 2.163176E+01; 4.035882E-02; 4.538239E-06
  160. 2.172478E+01; 4.252322E-02; 4.594737E-06
  161. 2.181780E+01; 4.463399E-02; 4.653092E-06
  162. 2.191082E+01; 4.669437E-02; 4.712708E-06
  163. 2.200383E+01; 4.870764E-02; 4.772982E-06
  164. 2.209685E+01; 5.067708E-02; 4.833303E-06
  165. 2.218987E+01; 5.260597E-02; 4.893063E-06
  166. 2.228289E+01; 5.449754E-02; 4.951669E-06
  167. 2.237591E+01; 5.635501E-02; 5.008548E-06
  168. 2.246893E+01; 5.818153E-02; 5.063159E-06
  169. 2.256195E+01; 5.998016E-02; 5.114995E-06
  170. 2.265497E+01; 6.175389E-02; 5.163592E-06
  171. 2.274798E+01; 6.350558E-02; 5.208529E-06
  172. 2.284100E+01; 6.523798E-02; 5.249433E-06
  173. 2.293402E+01; 6.695369E-02; 5.285978E-06
  174. 2.302704E+01; 6.865518E-02; 5.317891E-06
  175. 2.312006E+01; 7.034472E-02; 5.344950E-06
  176. 2.321308E+01; 7.202444E-02; 5.366984E-06
  177. 2.330610E+01; 7.369625E-02; 5.383873E-06
  178. 2.339911E+01; 7.536188E-02; 5.395547E-06
  179. 2.349213E+01; 7.702284E-02; 5.401980E-06
  180. 2.358515E+01; 7.868043E-02; 5.403201E-06
  181. 2.367817E+01; 8.033573E-02; 5.399274E-06
  182. 2.377119E+01; 8.198959E-02; 5.390308E-06
  183. 2.386421E+01; 8.364260E-02; 5.376455E-06
  184. 2.395723E+01; 8.529514E-02; 5.357893E-06
  185. 2.405025E+01; 8.694734E-02; 5.334837E-06
  186. 2.414326E+01; 8.859909E-02; 5.307534E-06
  187. 2.423628E+01; 9.025001E-02; 5.276250E-06
  188. 2.432930E+01; 9.189952E-02; 5.241277E-06
  189. 2.442232E+01; 9.354676E-02; 5.202917E-06
  190. 2.451534E+01; 9.519065E-02; 5.161497E-06
  191. 2.460836E+01; 9.682989E-02; 5.117341E-06
  192. 2.470138E+01; 9.846291E-02; 5.070787E-06
  193. 2.479439E+01; 1.000880E-01; 5.022176E-06
  194. 2.488741E+01; 1.017031E-01; 4.971844E-06
  195. 2.498043E+01; 1.033060E-01; 4.920121E-06
  196. 2.507345E+01; 1.048944E-01; 4.867338E-06
  197. 2.516647E+01; 1.064657E-01; 4.813814E-06
  198. 2.525949E+01; 1.080171E-01; 4.759851E-06
  199. 2.535251E+01; 1.095458E-01; 4.705745E-06
  200. 2.544553E+01; 1.110486E-01; 4.651771E-06
  201. 2.553854E+01; 1.125224E-01; 4.598195E-06
  202. 2.563156E+01; 1.139638E-01; 4.545265E-06
  203. 2.572458E+01; 1.153694E-01; 4.493210E-06
  204. 2.581760E+01; 1.167356E-01; 4.442254E-06
  205. 2.591062E+01; 1.180588E-01; 4.392593E-06
  206. 2.600364E+01; 1.193355E-01; 4.344420E-06
  207. 2.609666E+01; 1.205617E-01; 4.297917E-06
  208. 2.618968E+01; 1.217338E-01; 4.253248E-06
  209. 2.628269E+01; 1.228480E-01; 4.210574E-06
  210. 2.637571E+01; 1.239005E-01; 4.170047E-06
  211. 2.646873E+01; 1.248876E-01; 4.131816E-06
  212. 2.656175E+01; 1.258056E-01; 4.096022E-06
  213. 2.665477E+01; 1.266507E-01; 4.062803E-06
  214. 2.674779E+01; 1.274195E-01; 4.032289E-06
  215. 2.684081E+01; 1.281083E-01; 4.004614E-06
  216. 2.693382E+01; 1.287137E-01; 3.979894E-06
  217. 2.702684E+01; 1.292325E-01; 3.958248E-06
  218. 2.711986E+01; 1.296614E-01; 3.939782E-06
  219. 2.721288E+01; 1.299974E-01; 3.924592E-06
  220. 2.730590E+01; 1.302377E-01; 3.912752E-06
  221. 2.739892E+01; 1.303794E-01; 3.904327E-06
  222. 2.749194E+01; 1.304202E-01; 3.899356E-06
  223. 2.758496E+01; 1.303575E-01; 3.897852E-06
  224. 2.767797E+01; 1.301893E-01; 3.899804E-06
  225. 2.777099E+01; 1.299137E-01; 3.905167E-06
  226. 2.786401E+01; 1.295288E-01; 3.913864E-06
  227. 2.795703E+01; 1.290333E-01; 3.925783E-06
  228. 2.805005E+01; 1.284259E-01; 3.940779E-06
  229. 2.814307E+01; 1.277055E-01; 3.958671E-06
  230. 2.823609E+01; 1.268713E-01; 3.979240E-06
  231. 2.832910E+01; 1.259230E-01; 4.002239E-06
  232. 2.842212E+01; 1.248601E-01; 4.027391E-06
  233. 2.851514E+01; 1.236827E-01; 4.054387E-06
  234. 2.860816E+01; 1.223911E-01; 4.082901E-06
  235. 2.870118E+01; 1.209856E-01; 4.112585E-06
  236. 2.879420E+01; 1.194671E-01; 4.143070E-06
  237. 2.888722E+01; 1.178367E-01; 4.173984E-06
  238. 2.898024E+01; 1.160955E-01; 4.204948E-06
  239. 2.907325E+01; 1.142450E-01; 4.235582E-06
  240. 2.916627E+01; 1.122871E-01; 4.265503E-06
  241. 2.925929E+01; 1.102237E-01; 4.294342E-06
  242. 2.935231E+01; 1.080571E-01; 4.321735E-06
  243. 2.944533E+01; 1.057896E-01; 4.347339E-06
  244. 2.953835E+01; 1.034241E-01; 4.370825E-06
  245. 2.963137E+01; 1.009632E-01; 4.391884E-06
  246. 2.972439E+01; 9.841023E-02; 4.410235E-06
  247. 2.981740E+01; 9.576833E-02; 4.425619E-06
  248. 2.991042E+01; 9.304100E-02; 4.437801E-06
  249. 3.000344E+01; 9.023184E-02; 4.446587E-06
  250. 3.009646E+01; 8.734465E-02; 4.451802E-06
  251. 3.018948E+01; 8.438335E-02; 4.453306E-06
  252. 3.028250E+01; 8.135201E-02; 4.450993E-06
  253. 3.037552E+01; 7.825481E-02; 4.444786E-06
  254. 3.046853E+01; 7.509606E-02; 4.434641E-06
  255. 3.056155E+01; 7.188014E-02; 4.420550E-06
  256. 3.065457E+01; 6.861154E-02; 4.402532E-06
  257. 3.074759E+01; 6.529480E-02; 4.380637E-06
  258. 3.084061E+01; 6.193454E-02; 4.354947E-06
  259. 3.093363E+01; 5.853541E-02; 4.325572E-06
  260. 3.102665E+01; 5.510209E-02; 4.292645E-06
  261. 3.111967E+01; 5.163929E-02; 4.256333E-06
  262. 3.121268E+01; 4.815172E-02; 4.216818E-06
  263. 3.130570E+01; 4.464408E-02; 4.174307E-06
  264. 3.139872E+01; 4.112105E-02; 4.129029E-06
  265. 3.149174E+01; 3.758729E-02; 4.081228E-06
  266. 3.158476E+01; 3.404741E-02; 4.031162E-06
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  1001. 9.995349E+01; 5.988197E-03; 9.793699E-07
  1002.  
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