2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
4 <FunctionType Name="LJ14">
7 <Sofcore Name="beutler">
8 <Real Name="Epot Coulomb14">0.1445520414957524</Real>
9 <Real Name="Epot LJ14">-0.3979723893321509</Real>
10 <Real Name="dVdlCoul ">-0.14898844529427274</Real>
11 <Real Name="dVdlVdw ">0.41901751034443802</Real>
12 <Sequence Name="Forces">
13 <Int Name="Length">3</Int>
15 <Real Name="X">0.010987624164811038</Real>
16 <Real Name="Y">0.021975248329622051</Real>
17 <Real Name="Z">0.14283911414254338</Real>
20 <Real Name="X">0.89301764058624677</Real>
21 <Real Name="Y">1.7860352811724916</Real>
22 <Real Name="Z">2.6790529217587382</Real>
25 <Real Name="X">-0.9040052647510578</Real>
26 <Real Name="Y">-1.8080105295021136</Real>
27 <Real Name="Z">-2.8218920359012816</Real>
30 <Shift-Forces Name="Shift-forces">
31 <Vector Name="Central">
32 <Real Name="X">-0.010987624164811038</Real>
33 <Real Name="Y">-0.021975248329622051</Real>
34 <Real Name="Z">-0.14283911414254338</Real>
38 <Sofcore Name="gapsys">
39 <Real Name="Epot Coulomb14">0.1445520414957524</Real>
40 <Real Name="Epot LJ14">-0.3979723893321509</Real>
41 <Real Name="dVdlCoul ">-0.1445520414957524</Real>
42 <Real Name="dVdlVdw ">0.3979723893321509</Real>
43 <Sequence Name="Forces">
44 <Int Name="Length">3</Int>
46 <Real Name="X">0.010987624164811038</Real>
47 <Real Name="Y">0.021975248329622051</Real>
48 <Real Name="Z">0.14283911414254338</Real>
51 <Real Name="X">0.89301764058624677</Real>
52 <Real Name="Y">1.7860352811724916</Real>
53 <Real Name="Z">2.6790529217587382</Real>
56 <Real Name="X">-0.9040052647510578</Real>
57 <Real Name="Y">-1.8080105295021136</Real>
58 <Real Name="Z">-2.8218920359012816</Real>
61 <Shift-Forces Name="Shift-forces">
62 <Vector Name="Central">
63 <Real Name="X">-0.010987624164811038</Real>
64 <Real Name="Y">-0.021975248329622051</Real>
65 <Real Name="Z">-0.14283911414254338</Real>
71 <Sofcore Name="beutler">
72 <Real Name="Epot Coulomb14">0.071191990173256878</Real>
73 <Real Name="Epot LJ14">-0.19382840291531345</Real>
74 <Real Name="dVdlCoul ">-0.14450329606174245</Real>
75 <Real Name="dVdlVdw ">0.39776582160013413</Real>
76 <Sequence Name="Forces">
77 <Int Name="Length">3</Int>
79 <Real Name="X">0.0054936782176173184</Real>
80 <Real Name="Y">0.010987356435234625</Real>
81 <Real Name="Z">0.07141781682902508</Real>
84 <Real Name="X">0.42958890996342458</Real>
85 <Real Name="Y">0.85917781992684816</Real>
86 <Real Name="Z">1.2887667298902727</Real>
89 <Real Name="X">-0.4350825881810419</Real>
90 <Real Name="Y">-0.87016517636208279</Real>
91 <Real Name="Z">-1.3601845467192979</Real>
94 <Shift-Forces Name="Shift-forces">
95 <Vector Name="Central">
96 <Real Name="X">-0.0054936782176173184</Real>
97 <Real Name="Y">-0.010987356435234625</Real>
98 <Real Name="Z">-0.07141781682902508</Real>
102 <Sofcore Name="gapsys">
103 <Real Name="Epot Coulomb14">0.072276020747876202</Real>
104 <Real Name="Epot LJ14">-0.19898619466607545</Real>
105 <Real Name="dVdlCoul ">-0.1445520414957524</Real>
106 <Real Name="dVdlVdw ">0.3979723893321509</Real>
107 <Sequence Name="Forces">
108 <Int Name="Length">3</Int>
110 <Real Name="X">0.0054938120824055189</Real>
111 <Real Name="Y">0.010987624164811026</Real>
112 <Real Name="Z">0.071419557071271692</Real>
115 <Real Name="X">0.44650882029312339</Real>
116 <Real Name="Y">0.89301764058624578</Real>
117 <Real Name="Z">1.3395264608793691</Real>
120 <Real Name="X">-0.4520026323755289</Real>
121 <Real Name="Y">-0.9040052647510568</Real>
122 <Real Name="Z">-1.4109460179506408</Real>
125 <Shift-Forces Name="Shift-forces">
126 <Vector Name="Central">
127 <Real Name="X">-0.0054938120824055189</Real>
128 <Real Name="Y">-0.010987624164811026</Real>
129 <Real Name="Z">-0.071419557071271692</Real>
135 <Sofcore Name="beutler">
136 <Real Name="Epot Coulomb14">0</Real>
137 <Real Name="Epot LJ14">0</Real>
138 <Real Name="dVdlCoul ">-0.14031078405845462</Real>
139 <Real Name="dVdlVdw ">0.37775252841519097</Real>
140 <Sequence Name="Forces">
141 <Int Name="Length">3</Int>
143 <Real Name="X">0</Real>
144 <Real Name="Y">0</Real>
145 <Real Name="Z">0</Real>
148 <Real Name="X">0</Real>
149 <Real Name="Y">0</Real>
150 <Real Name="Z">0</Real>
153 <Real Name="X">0</Real>
154 <Real Name="Y">0</Real>
155 <Real Name="Z">0</Real>
158 <Shift-Forces Name="Shift-forces">
159 <Vector Name="Central">
160 <Real Name="X">0</Real>
161 <Real Name="Y">0</Real>
162 <Real Name="Z">0</Real>
166 <Sofcore Name="gapsys">
167 <Real Name="Epot Coulomb14">0</Real>
168 <Real Name="Epot LJ14">0</Real>
169 <Real Name="dVdlCoul ">-0.1445520414957524</Real>
170 <Real Name="dVdlVdw ">0.3979723893321509</Real>
171 <Sequence Name="Forces">
172 <Int Name="Length">3</Int>
174 <Real Name="X">0</Real>
175 <Real Name="Y">0</Real>
176 <Real Name="Z">0</Real>
179 <Real Name="X">0</Real>
180 <Real Name="Y">0</Real>
181 <Real Name="Z">0</Real>
184 <Real Name="X">0</Real>
185 <Real Name="Y">0</Real>
186 <Real Name="Z">0</Real>
189 <Shift-Forces Name="Shift-forces">
190 <Vector Name="Central">
191 <Real Name="X">0</Real>
192 <Real Name="Y">0</Real>
193 <Real Name="Z">0</Real>