File: t23.xml

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file content (43 lines) | stat: -rw-r--r-- 1,343 bytes parent folder | download | duplicates (12)
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<?xml version="1.0"?>
<System_definition>
	<unit_cell units="bohrradius">
		1.88973e+00	0.00000e+00	0.00000e+00
		0.00000e+00	1.88973e+00	0.00000e+00
		0.00000e+00	0.00000e+00	1.88973e+00
	</unit_cell>
  <atom damping_factor="1.00000e+00" gyroratio="1.00000e+00" index_spin="1" mass="1.00800e+00" massunits="atomicmassunit">
	  <position units="bohrradius">
		  0.00000e+00	0.00000e+00	0.00000e+00
	  </position>
	  <spinat>
		  0.00000e+00	1.00000e+00	0.00000e+00
	  </spinat>
  </atom>
  <spin_exchange_list units="eV">
    <nterms>6</nterms>
    <spin_exchange_term>
      <ijR>1 1 0 -1 0</ijR>
      <data>0.01875 	 0.01875 	 0.01875</data>
    </spin_exchange_term>
    <spin_exchange_term>
      <ijR>1 1 1 0 0</ijR>
      <data>0.01875 	 0.01875 	 0.01875</data>
    </spin_exchange_term>
    <spin_exchange_term>
      <ijR>1 1 0 1 0</ijR>
      <data>0.01875 	 0.01875 	 0.01875</data>
    </spin_exchange_term>
    <spin_exchange_term>
      <ijR>1 1 0 0 1</ijR>
      <data>0.01875 	 0.01875 	 0.01875</data>
    </spin_exchange_term>
    <spin_exchange_term>
      <ijR>1 1 -1 0 0</ijR>
      <data>0.01875 	 0.01875 	 0.01875</data>
    </spin_exchange_term>
    <spin_exchange_term>
      <ijR>1 1 0 0 -1</ijR>
      <data>0.01875 	 0.01875 	 0.01875</data>
    </spin_exchange_term>
  </spin_exchange_list>
</System_definition>