<?xml version="1.0" encoding="utf-8"?>
<simulation xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
xsi:noNamespaceSchemaLocation="http://www.mcc.uiuc.edu/ohmms/dtd/ohmms.dtd">
    <keyword> Si SW evn </keyword>
    <project id="sw-evn-100K" series="0">
      <application name="ohmms" role="md" version="0.2.4"/>
    </project>
    <random parallel="true" seed="23431" />
    <process>
      <particlesets>
	<particleset name="BulkSi" size="8">
	  <unitcell>
	    <parameter name="scale">5.432</parameter>
	    <parameter name="lattice">
            1.0 0.0 0.0 
            0.0 1.0 0.0 
            0.0 0.0 1.0
          </parameter>
	    <parameter name="bconds">p p p</parameter>
	  </unitcell>
	  <attrib name="ionid" datatype="stringArray">
          Si Si Si Si Si Si Si Si
        </attrib>
	  <attrib name="position" datatype="posArray" condition="1">
        0.0 0.0 0.0 
        0.25 0.25 0.25 
        0.5 0.5 0.0 
        0.75 0.75 0.25 
        0.5 0.0 0.5 
        0.75 0.25 0.75 
        0.0 0.5 0.5 
        0.25 0.75 0.75
        </attrib>
	</particleset>
        <!-- transform: expand and translate -->
	<transform role="expand">
	  <parameter name="unitcell_grid">2 2 2</parameter>
	  <parameter name="grid">2 2 2</parameter>
	</transform>
	<transform role="translate">
	  <parameter name="displacement">0.05 0.05 0.05</parameter>
	</transform>
	<transform role="scale">
	  <parameter name="scale" datatype="scalar">1.01</parameter>
	</transform>
      </particlesets>
      <mdsim>
	<potential name="SW" />
	<ensemble name="evn">
	  <parameter name="temperature" condition="K">100</parameter>
	  <parameter name="timestep" condition="fsec">2</parameter>
	</ensemble>
	<loop blocks="5" steps="1000">
	  <record name="ensemble" stride="10" />
	  <record name="particle" format="ascii" stride="1000">
	    <attrib name="position" datatype="xmolArray"></attrib>
	    <attrib name="e" datatype="scalarArray"></attrib>
	  </record>
	  <record name="particle" format="hdf5" stride="1000" condition="overwrite" />
	</loop>
      </mdsim>
    </process>
  </simulation>
