{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.224561 0.25 ] [ 0.5 0.775439 0.75 ] [ 0 0.724561 0.25 ] [ 0 0.275439 0.75 ] [ 0 0.022586 0.100874 ] [ 0 0.977414 0.899126 ] [ 0 0.246125 0.461754 ] [ 0 0.753875 0.538246 ] [ 0 0.753875 0.961754 ] [ 0 0.246125 0.038246 ] [ 0.5 0.059512 0.648004 ] [ 0.5 0.940488 0.351996 ] [ 0.5 0.940488 0.148004 ] [ 0.5 0.059512 0.851996 ] [ 0 0.022586 0.399126 ] [ 0 0.977414 0.600874 ] [ 0.5 0.522586 0.100874 ] [ 0.5 0.477414 0.899126 ] [ 0.5 0.746125 0.461754 ] [ 0.5 0.253875 0.538246 ] [ 0.5 0.253875 0.961754 ] [ 0.5 0.746125 0.038246 ] [ 0 0.559512 0.648004 ] [ 0 0.440488 0.351996 ] [ 0 0.440488 0.148004 ] [ 0 0.559512 0.851996 ] [ 0.5 0.522586 0.399126 ] [ 0.5 0.477414 0.600874 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.46511302 "source-unit" "angstrom" } "b" { "source-value" 10.34020454 "source-unit" "angstrom" } "c" { "source-value" 11.76598534 "source-unit" "angstrom" } }