{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.990591 0.047412 0.25 ] [ 0.490591 0.452588 0.75 ] [ 0.509409 0.547412 0.25 ] [ 0.009409 0.952588 0.75 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.693006 0.295654 0.446424 ] [ 0.193006 0.204346 0.553576 ] [ 0.806994 0.795654 0.053576 ] [ 0.306994 0.704346 0.946424 ] [ 0.306994 0.704346 0.553576 ] [ 0.806994 0.795654 0.446424 ] [ 0.193006 0.204346 0.946424 ] [ 0.693006 0.295654 0.053576 ] [ 0.099423 0.456861 0.25 ] [ 0.599423 0.043139 0.75 ] [ 0.900577 0.543139 0.75 ] [ 0.400577 0.956861 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mo" "Mo" "Mo" "Mo" "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" 5.52575222 "source-unit" "angstrom" } "b" { "source-value" 5.70338577 "source-unit" "angstrom" } "c" { "source-value" 7.98666736 "source-unit" "angstrom" } }