Update instructions in containers.rst
[gromacs.git] / src / gromacs / energyanalysis / tests / refdata / EnergyTest_ExtractEnergyMixed.xml
blobcd6370f7b4d9015d65557e7acae3634b3297b2ed
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <OutputFiles Name="Files">
5     <File Name="-o">
6       <XvgLegend Name="Legend">
7         <String Name="XvgLegend"><![CDATA[
8 title "GROMACS Energies"
9 xaxis  label "Time (ps)"
10 yaxis  label "(kJ/mol), (bar), (nm), (nm^3)"
11 TYPE xy
12 s0 legend "Total Energy"
13 s1 legend "Pressure"
14 s2 legend "Box-Z"
15 s3 legend "Volume"
16 ]]></String>
17       </XvgLegend>
18       <XvgData Name="Data">
19         <Sequence Name="Row0">
20           <Int Name="Length">5</Int>
21           <Real>0.000000</Real>
22           <Real>-25954.687500</Real>
23           <Real>-4113.184082</Real>
24           <Real>2.908700</Real>
25           <Real>24.609161</Real>
26         </Sequence>
27         <Sequence Name="Row1">
28           <Int Name="Length">5</Int>
29           <Real>0.200000</Real>
30           <Real>-28565.414062</Real>
31           <Real>2182.145752</Real>
32           <Real>2.862453</Real>
33           <Real>23.453901</Real>
34         </Sequence>
35         <Sequence Name="Row2">
36           <Int Name="Length">5</Int>
37           <Real>0.400000</Real>
38           <Real>-27562.640625</Real>
39           <Real>-1272.206055</Real>
40           <Real>2.910590</Real>
41           <Real>24.657173</Real>
42         </Sequence>
43         <Sequence Name="Row3">
44           <Int Name="Length">5</Int>
45           <Real>0.600000</Real>
46           <Real>-27818.544922</Real>
47           <Real>52.116547</Real>
48           <Real>2.919243</Real>
49           <Real>24.877728</Real>
50         </Sequence>
51         <Sequence Name="Row4">
52           <Int Name="Length">5</Int>
53           <Real>0.800000</Real>
54           <Real>-27749.398438</Real>
55           <Real>21.307526</Real>
56           <Real>2.913108</Real>
57           <Real>24.721209</Real>
58         </Sequence>
59         <Sequence Name="Row5">
60           <Int Name="Length">5</Int>
61           <Real>1.000000</Real>
62           <Real>-28104.845703</Real>
63           <Real>-255.442398</Real>
64           <Real>2.906520</Real>
65           <Real>24.553862</Real>
66         </Sequence>
67         <Sequence Name="Row6">
68           <Int Name="Length">5</Int>
69           <Real>1.200000</Real>
70           <Real>-28174.515625</Real>
71           <Real>563.564453</Real>
72           <Real>2.897688</Real>
73           <Real>24.330708</Real>
74         </Sequence>
75         <Sequence Name="Row7">
76           <Int Name="Length">5</Int>
77           <Real>1.400000</Real>
78           <Real>-27726.591797</Real>
79           <Real>-1227.515869</Real>
80           <Real>2.919131</Real>
81           <Real>24.874872</Real>
82         </Sequence>
83         <Sequence Name="Row8">
84           <Int Name="Length">5</Int>
85           <Real>1.600000</Real>
86           <Real>-27904.679688</Real>
87           <Real>915.864136</Real>
88           <Real>2.899337</Real>
89           <Real>24.372284</Real>
90         </Sequence>
91         <Sequence Name="Row9">
92           <Int Name="Length">5</Int>
93           <Real>1.800000</Real>
94           <Real>-28048.607422</Real>
95           <Real>-279.529633</Real>
96           <Real>2.906079</Real>
97           <Real>24.542704</Real>
98         </Sequence>
99         <Sequence Name="Row10">
100           <Int Name="Length">5</Int>
101           <Real>2.000000</Real>
102           <Real>-28166.121094</Real>
103           <Real>-458.908936</Real>
104           <Real>2.918627</Real>
105           <Real>24.861990</Real>
106         </Sequence>
107         <Sequence Name="Row11">
108           <Int Name="Length">5</Int>
109           <Real>2.200000</Real>
110           <Real>-28581.250000</Real>
111           <Real>-189.055450</Real>
112           <Real>2.910862</Real>
113           <Real>24.664082</Real>
114         </Sequence>
115         <Sequence Name="Row12">
116           <Int Name="Length">5</Int>
117           <Real>2.400000</Real>
118           <Real>-28171.087891</Real>
119           <Real>371.100586</Real>
120           <Real>2.917799</Real>
121           <Real>24.840837</Real>
122         </Sequence>
123         <Sequence Name="Row13">
124           <Int Name="Length">5</Int>
125           <Real>2.600000</Real>
126           <Real>-27950.126953</Real>
127           <Real>445.505615</Real>
128           <Real>2.938793</Real>
129           <Real>25.380903</Real>
130         </Sequence>
131         <Sequence Name="Row14">
132           <Int Name="Length">5</Int>
133           <Real>2.800000</Real>
134           <Real>-28226.027344</Real>
135           <Real>-383.208984</Real>
136           <Real>2.945657</Real>
137           <Real>25.559153</Real>
138         </Sequence>
139         <Sequence Name="Row15">
140           <Int Name="Length">5</Int>
141           <Real>3.000000</Real>
142           <Real>-28098.013672</Real>
143           <Real>-739.696289</Real>
144           <Real>2.933936</Real>
145           <Real>25.255260</Real>
146         </Sequence>
147         <Sequence Name="Row16">
148           <Int Name="Length">5</Int>
149           <Real>3.200000</Real>
150           <Real>-27764.125000</Real>
151           <Real>556.054443</Real>
152           <Real>2.927019</Real>
153           <Real>25.077057</Real>
154         </Sequence>
155         <Sequence Name="Row17">
156           <Int Name="Length">5</Int>
157           <Real>3.400000</Real>
158           <Real>-27898.089844</Real>
159           <Real>-191.586060</Real>
160           <Real>2.934578</Real>
161           <Real>25.271851</Real>
162         </Sequence>
163         <Sequence Name="Row18">
164           <Int Name="Length">5</Int>
165           <Real>3.600000</Real>
166           <Real>-28537.119141</Real>
167           <Real>-64.853195</Real>
168           <Real>2.931219</Real>
169           <Real>25.185162</Real>
170         </Sequence>
171         <Sequence Name="Row19">
172           <Int Name="Length">5</Int>
173           <Real>3.800000</Real>
174           <Real>-27973.410156</Real>
175           <Real>-586.303345</Real>
176           <Real>2.934929</Real>
177           <Real>25.280926</Real>
178         </Sequence>
179         <Sequence Name="Row20">
180           <Int Name="Length">5</Int>
181           <Real>4.000000</Real>
182           <Real>-27882.089844</Real>
183           <Real>-361.731506</Real>
184           <Real>2.927429</Real>
185           <Real>25.087599</Real>
186         </Sequence>
187         <Sequence Name="Row21">
188           <Int Name="Length">5</Int>
189           <Real>4.200000</Real>
190           <Real>-27741.246094</Real>
191           <Real>259.893829</Real>
192           <Real>2.922239</Real>
193           <Real>24.954405</Real>
194         </Sequence>
195         <Sequence Name="Row22">
196           <Int Name="Length">5</Int>
197           <Real>4.400000</Real>
198           <Real>-27674.792969</Real>
199           <Real>520.501953</Real>
200           <Real>2.916972</Real>
201           <Real>24.819725</Real>
202         </Sequence>
203         <Sequence Name="Row23">
204           <Int Name="Length">5</Int>
205           <Real>4.600000</Real>
206           <Real>-27675.117188</Real>
207           <Real>268.957916</Real>
208           <Real>2.921674</Real>
209           <Real>24.939926</Real>
210         </Sequence>
211         <Sequence Name="Row24">
212           <Int Name="Length">5</Int>
213           <Real>4.800000</Real>
214           <Real>-27742.250000</Real>
215           <Real>-204.915268</Real>
216           <Real>2.935492</Real>
217           <Real>25.295462</Real>
218         </Sequence>
219         <Sequence Name="Row25">
220           <Int Name="Length">5</Int>
221           <Real>5.000000</Real>
222           <Real>-27852.041016</Real>
223           <Real>5.506622</Real>
224           <Real>2.942482</Real>
225           <Real>25.476610</Real>
226         </Sequence>
227         <Sequence Name="Row26">
228           <Int Name="Length">5</Int>
229           <Real>5.200000</Real>
230           <Real>-28227.044922</Real>
231           <Real>-274.371277</Real>
232           <Real>2.940779</Real>
233           <Real>25.432384</Real>
234         </Sequence>
235         <Sequence Name="Row27">
236           <Int Name="Length">5</Int>
237           <Real>5.400000</Real>
238           <Real>-27911.763672</Real>
239           <Real>592.697144</Real>
240           <Real>2.927356</Real>
241           <Real>25.085735</Real>
242         </Sequence>
243         <Sequence Name="Row28">
244           <Int Name="Length">5</Int>
245           <Real>5.600000</Real>
246           <Real>-27753.373047</Real>
247           <Real>683.389648</Real>
248           <Real>2.918517</Real>
249           <Real>24.859180</Real>
250         </Sequence>
251         <Sequence Name="Row29">
252           <Int Name="Length">5</Int>
253           <Real>5.800000</Real>
254           <Real>-27858.119141</Real>
255           <Real>-500.987946</Real>
256           <Real>2.929479</Real>
257           <Real>25.140350</Real>
258         </Sequence>
259         <Sequence Name="Row30">
260           <Int Name="Length">5</Int>
261           <Real>6.000000</Real>
262           <Real>-28069.652344</Real>
263           <Real>-272.158386</Real>
264           <Real>2.935930</Real>
265           <Real>25.306805</Real>
266         </Sequence>
267         <Sequence Name="Row31">
268           <Int Name="Length">5</Int>
269           <Real>6.200000</Real>
270           <Real>-28207.109375</Real>
271           <Real>682.146118</Real>
272           <Real>2.923578</Real>
273           <Real>24.988716</Real>
274         </Sequence>
275         <Sequence Name="Row32">
276           <Int Name="Length">5</Int>
277           <Real>6.400000</Real>
278           <Real>-27761.265625</Real>
279           <Real>-251.639786</Real>
280           <Real>2.930740</Real>
281           <Real>25.172831</Real>
282         </Sequence>
283         <Sequence Name="Row33">
284           <Int Name="Length">5</Int>
285           <Real>6.600000</Real>
286           <Real>-28128.996094</Real>
287           <Real>136.933014</Real>
288           <Real>2.932798</Real>
289           <Real>25.225883</Real>
290         </Sequence>
291         <Sequence Name="Row34">
292           <Int Name="Length">5</Int>
293           <Real>6.800000</Real>
294           <Real>-28159.035156</Real>
295           <Real>-172.420929</Real>
296           <Real>2.937919</Real>
297           <Real>25.358250</Real>
298         </Sequence>
299         <Sequence Name="Row35">
300           <Int Name="Length">5</Int>
301           <Real>7.000000</Real>
302           <Real>-27751.841797</Real>
303           <Real>187.738708</Real>
304           <Real>2.933440</Real>
305           <Real>25.242456</Real>
306         </Sequence>
307         <Sequence Name="Row36">
308           <Int Name="Length">5</Int>
309           <Real>7.200000</Real>
310           <Real>-27753.189453</Real>
311           <Real>181.039490</Real>
312           <Real>2.938785</Real>
313           <Real>25.380699</Real>
314         </Sequence>
315         <Sequence Name="Row37">
316           <Int Name="Length">5</Int>
317           <Real>7.400000</Real>
318           <Real>-27601.382812</Real>
319           <Real>-59.191101</Real>
320           <Real>2.947856</Real>
321           <Real>25.616447</Real>
322         </Sequence>
323         <Sequence Name="Row38">
324           <Int Name="Length">5</Int>
325           <Real>7.600000</Real>
326           <Real>-28106.945312</Real>
327           <Real>234.138947</Real>
328           <Real>2.934338</Real>
329           <Real>25.265654</Real>
330         </Sequence>
331         <Sequence Name="Row39">
332           <Int Name="Length">5</Int>
333           <Real>7.800000</Real>
334           <Real>-28048.005859</Real>
335           <Real>352.149719</Real>
336           <Real>2.933455</Real>
337           <Real>25.242838</Real>
338         </Sequence>
339         <Sequence Name="Row40">
340           <Int Name="Length">5</Int>
341           <Real>8.000000</Real>
342           <Real>-27979.414062</Real>
343           <Real>-506.414001</Real>
344           <Real>2.954965</Real>
345           <Real>25.802214</Real>
346         </Sequence>
347         <Sequence Name="Row41">
348           <Int Name="Length">5</Int>
349           <Real>8.200000</Real>
350           <Real>-28036.621094</Real>
351           <Real>-413.985809</Real>
352           <Real>2.934557</Real>
353           <Real>25.271296</Real>
354         </Sequence>
355         <Sequence Name="Row42">
356           <Int Name="Length">5</Int>
357           <Real>8.400000</Real>
358           <Real>-28163.242188</Real>
359           <Real>449.511932</Real>
360           <Real>2.912586</Real>
361           <Real>24.707930</Real>
362         </Sequence>
363         <Sequence Name="Row43">
364           <Int Name="Length">5</Int>
365           <Real>8.600000</Real>
366           <Real>-27828.839844</Real>
367           <Real>421.591461</Real>
368           <Real>2.925114</Real>
369           <Real>25.028139</Real>
370         </Sequence>
371         <Sequence Name="Row44">
372           <Int Name="Length">5</Int>
373           <Real>8.800000</Real>
374           <Real>-27906.761719</Real>
375           <Real>-277.707733</Real>
376           <Real>2.933428</Real>
377           <Real>25.242149</Real>
378         </Sequence>
379         <Sequence Name="Row45">
380           <Int Name="Length">5</Int>
381           <Real>9.000000</Real>
382           <Real>-28056.156250</Real>
383           <Real>-76.575607</Real>
384           <Real>2.924834</Real>
385           <Real>25.020935</Real>
386         </Sequence>
387         <Sequence Name="Row46">
388           <Int Name="Length">5</Int>
389           <Real>9.200000</Real>
390           <Real>-27878.431641</Real>
391           <Real>-443.641296</Real>
392           <Real>2.929722</Real>
393           <Real>25.146606</Real>
394         </Sequence>
395         <Sequence Name="Row47">
396           <Int Name="Length">5</Int>
397           <Real>9.400000</Real>
398           <Real>-28078.681641</Real>
399           <Real>727.809448</Real>
400           <Real>2.906425</Real>
401           <Real>24.551456</Real>
402         </Sequence>
403         <Sequence Name="Row48">
404           <Int Name="Length">5</Int>
405           <Real>9.600000</Real>
406           <Real>-27960.445312</Real>
407           <Real>-348.396515</Real>
408           <Real>2.915571</Real>
409           <Real>24.783981</Real>
410         </Sequence>
411         <Sequence Name="Row49">
412           <Int Name="Length">5</Int>
413           <Real>9.800000</Real>
414           <Real>-28230.580078</Real>
415           <Real>260.881683</Real>
416           <Real>2.919360</Real>
417           <Real>24.880718</Real>
418         </Sequence>
419         <Sequence Name="Row50">
420           <Int Name="Length">5</Int>
421           <Real>10.000000</Real>
422           <Real>-27836.777344</Real>
423           <Real>-291.007599</Real>
424           <Real>2.927743</Real>
425           <Real>25.095673</Real>
426         </Sequence>
427       </XvgData>
428     </File>
429   </OutputFiles>
430 </ReferenceData>