{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.020248 0.235963 ] [ 0 0.979752 0.764037 ] [ 0 0.520248 0.264037 ] [ 0 0.479752 0.735963 ] [ 0 0.832106 0.438966 ] [ 0 0.167894 0.561034 ] [ 0 0.332106 0.061034 ] [ 0 0.667894 0.938966 ] [ 0.5 0.578496 0.088861 ] [ 0.5 0.421504 0.911139 ] [ 0.5 0.078496 0.411139 ] [ 0.5 0.921504 0.588861 ] [ 0 0.75464 0.091385 ] [ 0 0.24536 0.908615 ] [ 0.5 0.714464 0.848884 ] [ 0.5 0.285536 0.151116 ] [ 0.5 0.214464 0.651116 ] [ 0.5 0.785536 0.348884 ] [ 0 0.74536 0.591385 ] [ 0 0.25464 0.408615 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 3.74059638 "source-unit" "angstrom" } "b" { "source-value" 7.2442209 "source-unit" "angstrom" } "c" { "source-value" 14.55784101 "source-unit" "angstrom" } }