{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.65008 0.25 ] [ 0 0.34992 0.75 ] [ 0.5 0.15008 0.25 ] [ 0.5 0.84992 0.75 ] [ 0 0.25186 0.562384 ] [ 0 0.74814 0.062384 ] [ 0 0.74814 0.437616 ] [ 0 0.25186 0.937616 ] [ 0.261457 0.963497 0.75 ] [ 0.738543 0.036503 0.25 ] [ 0.261457 0.036503 0.25 ] [ 0.738543 0.963497 0.75 ] [ 0.5 0.75186 0.562384 ] [ 0.5 0.24814 0.062384 ] [ 0.5 0.24814 0.437616 ] [ 0.5 0.75186 0.937616 ] [ 0.761457 0.463497 0.75 ] [ 0.238543 0.536503 0.25 ] [ 0.761457 0.536503 0.25 ] [ 0.238543 0.463497 0.75 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "P" "P" "P" "P" "O" "O" "O" "O" "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" 5.3822077 "source-unit" "angstrom" } "b" { "source-value" 8.16074422 "source-unit" "angstrom" } "c" { "source-value" 6.92836202 "source-unit" "angstrom" } }