{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.002482 0.252486 0.003416 ] [ 0.502482 0.747514 0.503416 ] [ 0.297968 0.64662 0.84887 ] [ 0.706961 0.912607 0.802483 ] [ 0.294242 0.46958 0.23639 ] [ 0.959656 0.712253 0.970098 ] [ 0.077764 0.119881 0.712073 ] [ 0.797968 0.35338 0.34887 ] [ 0.784482 0.040318 0.520755 ] [ 0.577764 0.880119 0.212073 ] [ 0.073523 0.570183 0.545305 ] [ 0.284482 0.959682 0.020755 ] [ 0.459656 0.287747 0.470098 ] [ 0.206961 0.087393 0.302483 ] [ 0.573523 0.429817 0.045305 ] [ 0.794242 0.53042 0.73639 ] [ 0.024694 0.770605 0.738592 ] [ 0.485704 0.512217 0.64546 ] [ 0.043468 0.240655 0.489562 ] [ 0.985704 0.487783 0.14546 ] [ 0.543468 0.759345 0.989562 ] [ 0.256287 0.260745 0.888669 ] [ 0.257074 0.748443 0.376167 ] [ 0.757074 0.251557 0.876167 ] [ 0.986695 0.995669 0.12516 ] [ 0.524694 0.229395 0.238592 ] [ 0.756287 0.739255 0.388669 ] [ 0.486695 0.004331 0.62516 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.70615863762 "source-unit" "angstrom" } "b" { "source-value" 7.44677069 "source-unit" "angstrom" } "c" { "source-value" 10.6655672563 "source-unit" "angstrom" } "beta" { "source-value" 90.5484514265 "source-unit" "degree" } }