{ "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" [ [ 0.753112 0.795624 0.248844 ] [ 0.753112 0.204376 0.748844 ] [ 0.239171 0.299943 0.247668 ] [ 0.239171 0.700057 0.747668 ] [ 0.998346 0.246448 0.499888 ] [ 0.998346 0.753552 0.999888 ] [ 0.498715 0.757031 0.499263 ] [ 0.498715 0.242969 0.999263 ] [ 0.659634 0.78231 0.74486 ] [ 0.267534 0.046973 0.457015 ] [ 0.836437 0.053703 0.043064 ] [ 0.163958 0.560892 0.456261 ] [ 0.740613 0.53546 0.048104 ] [ 0.342479 0.274714 0.755034 ] [ 0.659634 0.21769 0.24486 ] [ 0.267534 0.953027 0.957015 ] [ 0.836437 0.946297 0.543064 ] [ 0.163958 0.439108 0.956261 ] [ 0.740613 0.46454 0.548104 ] [ 0.342479 0.725286 0.255034 ] ] } "species" { "source-value" [ "Ca" "Ca" "La" "La" "Mg" "Mg" "Ta" "Ta" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.58586265 "source-unit" "angstrom" } "b" { "source-value" 5.72763968 "source-unit" "angstrom" } "c" { "source-value" 9.68041062 "source-unit" "angstrom" } "beta" { "source-value" 125.23288067 "source-unit" "degree" } }