{ "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 0.068372 0.75 ] [ 0 0.931628 0.25 ] [ 0.5 0.568372 0.75 ] [ 0.5 0.431628 0.25 ] [ 0.5 0.857073 0.949197 ] [ 0.5 0.142927 0.050803 ] [ 0.5 0.142927 0.449197 ] [ 0.5 0.857073 0.550803 ] [ 0 0.357073 0.949197 ] [ 0 0.642927 0.050803 ] [ 0 0.642927 0.449197 ] [ 0 0.357073 0.550803 ] [ 0 0.785136 0.75 ] [ 0 0.214864 0.25 ] [ 0.5 0.285136 0.75 ] [ 0.5 0.714864 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "In" "In" "In" "In" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.44939968 "source-unit" "angstrom" } "b" { "source-value" 10.80712912 "source-unit" "angstrom" } "c" { "source-value" 7.56217289 "source-unit" "angstrom" } }