gosh-model 0.2.1

Chemical model for gosh
Documentation 
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# meta data, also work as a separator for multiple entries
@model_properties_file_format_version 0.1

# total energy of system
@energy
 -0.32933619218901E+00

# cartesian forces, in 3xN
@forces
 -0.10525500903260E-03 -0.49341715067988E-04 -0.41578514351576E-04
 -0.10538090864721E-03 -0.44152035166424E-04 -0.46770596426924E-04
  0.11741769879568E-03 -0.22970049507365E-03 -0.64344681036487E-04

# stress tensor, optional, required for lattice size/shape optimization
@stress
 -0.10525500903260E-03 -0.49341715067988E-04 -0.41578514351576E-04
 -0.10538090864721E-03 -0.44152035166424E-04 -0.46770596426924E-04
  0.11741769879568E-03 -0.22970049507365E-03 -0.64344681036487E-04

# optional, in plain xyz format
@structure
    C      7.50000000     11.59838500     11.36570800
    H     12.79336700     22.88608500     13.03115500
    H     25.95160100      9.92351500     13.03115500

# dipole moment, optinal, in 3xN
@dipole
  0.00000000000000E+00  0.00000000000000E+00  0.00000000000000E+00

# polarizability, optional, in 3xN
@polarizability
 -0.54370868654757E-04 -0.12910053360377E-03  0.58525261312289E-04
 -0.35441637457188E-04 -0.10796349596980E-03 -0.47971139002212E-04

@dipole_derivatives
  0.17654421047908E-05 -0.89493922432773E-04  0.11034055334941E-03
 -0.50731721542735E-05  0.11046008096333E-03 -0.88765964291002E-04
  0.29191153279760E-04  0.14427453020105E-03 -0.97596879550505E-04
@force_constants
 -0.84166798360332E-04  0.12609591852218E-03 -0.81372834072879E-04
  0.44020845585660E-03  0.46556415294502E-03 -0.78007637360930E-03
 -0.67882630513052E-04 -0.72948678468076E-04  0.13240532929183E-03
 -0.79112309048790E-04 -0.83273077034278E-04  0.12811173030499E-03
  0.31078756119910E-02  0.18631216760724E-03 -0.55606432899665E-04
  0.57252446034882E-04 -0.50106003387616E-04 -0.93783265112195E-04
 -0.83942630146822E-04 -0.10825048972846E-03 -0.19157601632731E-04
  0.98257945243768E-04  0.95021799814627E-04 -0.17270444599425E-04
  0.51370703989191E-04  0.93068943586915E-04  0.57297342779045E-04
  0.10108437313702E-03  0.26222456883268E-04 -0.89868677005173E-04
 -0.88798490609733E-04  0.99598701861015E-05  0.10557984856565E-03
  0.59812193400026E-04 -0.86826488375794E-04 -0.58884574462162E-04
 -0.90095408014538E-04 -0.20003639816035E-04 -0.10302590203204E-03
  0.10589987360610E-03 -0.14601101079220E-04  0.86913860780120E-04
  0.10872619197138E-03 -0.83400640428318E-04  0.14315427811481E-04
 -0.94951973792697E-04  0.98206316664592E-04  0.21711166481584E-04
  0.53930317315968E-04  0.56348412005419E-04  0.92195991753183E-04
 -0.56697446805075E-04  0.53849613374097E-04 -0.92029109228831E-04
 -0.10054246713553E-03 -0.92255311428426E-04 -0.19031031041969E-04