{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.316609 0.99249 ] [ 0.75 0.683391 0.00751 ] [ 0.75 0.816609 0.50751 ] [ 0.25 0.183391 0.49249 ] [ 0.25 0.507906 0.31341 ] [ 0.75 0.492094 0.68659 ] [ 0.75 0.007906 0.18659 ] [ 0.25 0.992094 0.81341 ] [ 0.25 0.869075 0.051027 ] [ 0.75 0.130925 0.948973 ] [ 0.75 0.369075 0.448973 ] [ 0.25 0.630925 0.551027 ] [ 0.25 0.555021 0.87517 ] [ 0.75 0.444979 0.12483 ] [ 0.75 0.055021 0.62483 ] [ 0.25 0.944979 0.37517 ] [ 0.25 0.202964 0.228457 ] [ 0.75 0.797036 0.771543 ] [ 0.75 0.702964 0.271543 ] [ 0.25 0.297036 0.728457 ] ] } "species" { "source-value" [ "Np" "Np" "Np" "Np" "Np" "Np" "Np" "Np" "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" 3.87566819 "source-unit" "angstrom" } "b" { "source-value" 10.3450526 "source-unit" "angstrom" } "c" { "source-value" 10.52615105 "source-unit" "angstrom" } }