position

Table 567. Implementation level

TypeStatus
CML extraction template

Total implementation

HTML5 representation

Total implementation


Table attributesTable. Template attributes

AttributeValue
source VASP outcar
idposition
namePositions in fractional coordinates
pattern\s*position\sof\sions\sin\sfractional\scoordinates\s\(direct\slattice\).*
endPattern\s*
xml:baseposition/positions.xml


Input. 

 position of ions in fractional coordinates (direct lattice) 
   0.16666500  0.33333501  0.03459000
   0.16666500  0.83333501  0.03459000
   0.66666500  0.33333501  0.03459000
   0.66666500  0.83333501  0.03459000
   0.33344208  0.16678690  0.17241022
   0.33370785  0.66723260  0.17236879
   0.83356269  0.16703726  0.17234065
   0.83363629  0.66717655  0.17245114
   0.00055589  0.00179727  0.31021653
   0.00128051  0.50131695  0.30977472
   0.50122386  0.00133435  0.31014414
   0.50020908  0.50086165  0.30991796
   0.00000000  0.00000000  0.00000000
   0.00000000  0.50000000  0.00000000
   0.50000000  0.00000000  0.00000000
   0.50000000  0.50000000  0.00000000
   0.33333501  0.16666500  0.06918000
   0.33333501  0.66666500  0.06918000
   0.83333501  0.16666500  0.06918000
   0.83333501  0.66666500  0.06918000
   0.16666500  0.33333501  0.13837001
   0.16666500  0.83333501  0.13837001
   0.66666500  0.33333501  0.13837001
   0.66666500  0.83333501  0.13837001
   0.00078633  0.00081280  0.20583181
   0.00070507  0.50087513  0.20577521
   0.50008487  0.00078081  0.20576536
   0.49993408  0.49978326  0.20584340
   0.33351324  0.16671123  0.27905870
   0.33503831  0.66883301  0.27846615
   0.83360028  0.16754563  0.27824211
   0.83392651  0.66832458  0.27853659
   0.16420118  0.33792779  0.36587087
   0.16720140  0.83425831  0.36977061
   0.67367077  0.33715788  0.36672624
   0.66731975  0.83561243  0.36833882
   0.34790048  0.20014118  0.47522548
   0.40274117  0.38177333  0.48995583
   0.54131862  0.58946666  0.50116705
   0.16783755  0.09136909  0.47266040
   0.18523424  0.33429035  0.40778406
   0.10603102  0.24227062  0.48043436
   0.66232245  0.34363224  0.40869442
   0.15082389  0.80250040  0.41108887
   0.68703805  0.85873047  0.41002896
   0.43618283  0.13522132  0.46102313
   0.69211950  0.63331329  0.48545774
   0.49407341  0.68433687  0.47869690
   0.55148637  0.62329277  0.54801584
 
	

Output text. 

<comment class="example.output" id="position">
		<module cmlx:templateRef="position">
			<atom id="atom" xFract="0.16666500" yFract="0.33333501" zFract="0.03459000" />
			<atom id="atom" xFract="0.16666500" yFract="0.83333501" zFract="0.03459000" />
			<atom id="atom" xFract="0.66666500" yFract="0.33333501" zFract="0.03459000" />
			<atom id="atom" xFract="0.66666500" yFract="0.83333501" zFract="0.03459000" />
			<atom id="atom" xFract="0.33344208" yFract="0.16678690" zFract="0.17241022" />
			<atom id="atom" xFract="0.33370785" yFract="0.66723260" zFract="0.17236879" />
			<atom id="atom" xFract="0.83356269" yFract="0.16703726" zFract="0.17234065" />
			<atom id="atom" xFract="0.83363629" yFract="0.66717655" zFract="0.17245114" />
			<atom id="atom" xFract="0.00055589" yFract="0.00179727" zFract="0.31021653" />
			<atom id="atom" xFract="0.00128051" yFract="0.50131695" zFract="0.30977472" />
			<atom id="atom" xFract="0.50122386" yFract="0.00133435" zFract="0.31014414" />
			<atom id="atom" xFract="0.50020908" yFract="0.50086165" zFract="0.30991796" />
			<atom id="atom" xFract="0.00000000" yFract="0.00000000" zFract="0.00000000" />
			<atom id="atom" xFract="0.00000000" yFract="0.50000000" zFract="0.00000000" />
			<atom id="atom" xFract="0.50000000" yFract="0.00000000" zFract="0.00000000" />
			<atom id="atom" xFract="0.50000000" yFract="0.50000000" zFract="0.00000000" />
			<atom id="atom" xFract="0.33333501" yFract="0.16666500" zFract="0.06918000" />
			<atom id="atom" xFract="0.33333501" yFract="0.66666500" zFract="0.06918000" />
			<atom id="atom" xFract="0.83333501" yFract="0.16666500" zFract="0.06918000" />
			<atom id="atom" xFract="0.83333501" yFract="0.66666500" zFract="0.06918000" />
			<atom id="atom" xFract="0.16666500" yFract="0.33333501" zFract="0.13837001" />
			<atom id="atom" xFract="0.16666500" yFract="0.83333501" zFract="0.13837001" />
			<atom id="atom" xFract="0.66666500" yFract="0.33333501" zFract="0.13837001" />
			<atom id="atom" xFract="0.66666500" yFract="0.83333501" zFract="0.13837001" />
			<atom id="atom" xFract="0.00078633" yFract="0.00081280" zFract="0.20583181" />
			<atom id="atom" xFract="0.00070507" yFract="0.50087513" zFract="0.20577521" />
			<atom id="atom" xFract="0.50008487" yFract="0.00078081" zFract="0.20576536" />
			<atom id="atom" xFract="0.49993408" yFract="0.49978326" zFract="0.20584340" />
			<atom id="atom" xFract="0.33351324" yFract="0.16671123" zFract="0.27905870" />
			<atom id="atom" xFract="0.33503831" yFract="0.66883301" zFract="0.27846615" />
			<atom id="atom" xFract="0.83360028" yFract="0.16754563" zFract="0.27824211" />
			<atom id="atom" xFract="0.83392651" yFract="0.66832458" zFract="0.27853659" />
			<atom id="atom" xFract="0.16420118" yFract="0.33792779" zFract="0.36587087" />
			<atom id="atom" xFract="0.16720140" yFract="0.83425831" zFract="0.36977061" />
			<atom id="atom" xFract="0.67367077" yFract="0.33715788" zFract="0.36672624" />
			<atom id="atom" xFract="0.66731975" yFract="0.83561243" zFract="0.36833882" />
			<atom id="atom" xFract="0.34790048" yFract="0.20014118" zFract="0.47522548" />
			<atom id="atom" xFract="0.40274117" yFract="0.38177333" zFract="0.48995583" />
			<atom id="atom" xFract="0.54131862" yFract="0.58946666" zFract="0.50116705" />
			<atom id="atom" xFract="0.16783755" yFract="0.09136909" zFract="0.47266040" />
			<atom id="atom" xFract="0.18523424" yFract="0.33429035" zFract="0.40778406" />
			<atom id="atom" xFract="0.10603102" yFract="0.24227062" zFract="0.48043436" />
			<atom id="atom" xFract="0.66232245" yFract="0.34363224" zFract="0.40869442" />
			<atom id="atom" xFract="0.15082389" yFract="0.80250040" zFract="0.41108887" />
			<atom id="atom" xFract="0.68703805" yFract="0.85873047" zFract="0.41002896" />
			<atom id="atom" xFract="0.43618283" yFract="0.13522132" zFract="0.46102313" />
			<atom id="atom" xFract="0.69211950" yFract="0.63331329" zFract="0.48545774" />
			<atom id="atom" xFract="0.49407341" yFract="0.68433687" zFract="0.47869690" />
			<atom id="atom" xFract="0.55148637" yFract="0.62329277" zFract="0.54801584" />
		</module>
	</comment>