<!-- Original ASAP parameters, as published in P. Tangney and S. Scandolo, J. Chem. Phys. 117 8898 (2002) -->
<TS_params label="ewald_GGA" betapol="0.75" cutoff="20.0 22.0 18.0 0.0" n_types="2" yuksmoothlength="0.0" pred_order="2" 
  maxipol="60" tolpol="1e-10" yukalpha="0.0" tewald="T" a_ew="1e-06" iesr="-1 -1 -1">

  <per_type_data atomic_num="8" pol="8.89378" z="-1.38257" type="1" />
  <per_type_data atomic_num="14" pol="0.0" z="2.76514" type="2" />

  <per_pair_data C_pol="0.0" atnum_j="8" atnum_i="8" D_ms="0.00024748" gamma_ms="12.07092" B_pol="0.0" R_ms="7.17005" /> 
  <per_pair_data C_pol="-1.50435" atnum_j="8" atnum_i="14" D_ms="0.0019033" gamma_ms="11.1523" B_pol="2.02989" R_ms="4.6371" />
  <per_pair_data C_pol="0.0" atnum_j="14" atnum_i="14" D_ms="-0.0020846" gamma_ms="10.45517" B_pol="0.0" R_ms="5.75038" />

</TS_params>

<!-- Fit to LDA database from MD at 500K, with cutoff electrostatics at distance of 20 a.u. -->
<TS_params label="screened_LDA" betapol="0.75" cutoff="20.0 20.0 18.0 0.0" cutoff_coulomb="20.0" cutoff_ms="18.0" tolpol="1e-10" yuksmoothlength="10.0" iesr="-1 -1 -1" a_ew="1e-06" n_types="2" gcut="0.0" pred_order="2" maxipol="60" raggio="0.0" tewald="F" yukalpha="0.1">

  <per_type_data atomic_num="8" pol="14.131863" z="-1.4295594" type="1" />
  <per_type_data atomic_num="14" pol="0.0" z="2.8591188" type="2" />

  <per_pair_data C_pol="0.44302622" atnum_j="8" atnum_i="8" D_ms="0.00030700577" gamma_ms="12.165654" B_pol="1.1221903" R_ms="7.0252019" />
  <per_pair_data C_pol="-1.5003213" atnum_j="8" atnum_i="14" D_ms="0.0020129372" gamma_ms="11.350477" B_pol="1.973181" R_ms="4.5780828" />
  <per_pair_data C_pol="0.0" atnum_j="14" atnum_i="14" D_ms="0.33967532" gamma_ms="-0.17694797" B_pol="0.0" R_ms="-0.085202834" />

</TS_params>

<!-- Long-range fit to same LDA database -->
<TS_params label="ewald_LDA" betapol="0.75" cutoff="20.0 22.0 18.0 0.0" tolpol="1e-10" iesr="-1 -1 -1" a_ew="1e-06" n_types="2" gcut="0.0" pred_order="2" maxipol="60" raggio="0.0" tewald="T">

  <per_type_data atomic_num="8" pol="6.0204711" z="-1.4828267" type="1" />
  <per_type_data atomic_num="14" pol="0.0" z="2.9656534" type="2" />

  <per_pair_data C_pol="0.46554812" atnum_j="8" atnum_i="8" D_ms="0.0002032023" gamma_ms="10.89313" B_pol="1.0768296" R_ms="8.3955036" />
  <per_pair_data C_pol="-1.4947753" atnum_j="8" atnum_i="14" D_ms="0.0021072801" gamma_ms="11.016375" B_pol="2.0996956" R_ms="4.7425089" />
  <per_pair_data C_pol="0.0" atnum_j="14" atnum_i="14" D_ms="0.031452519" gamma_ms="10.839689" B_pol="0.0" R_ms="4.9469448" />

</TS_params>