{ "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 0.125079 0.546489 ] [ 0.5 0.030798 0.25 ] [ 0.5 0.969202 0.75 ] [ 0 0.125079 0.953511 ] [ 0 0.874921 0.046489 ] [ 0 0.874921 0.453511 ] [ 0.5 0.625079 0.546489 ] [ 0 0.530798 0.25 ] [ 0 0.469202 0.75 ] [ 0.5 0.625079 0.953511 ] [ 0.5 0.374921 0.046489 ] [ 0.5 0.374921 0.453511 ] [ 0 0.238694 0.25 ] [ 0 0.761306 0.75 ] [ 0.5 0.738694 0.25 ] [ 0.5 0.261306 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Ge" "Ge" "Ge" "Ge" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.87628912 "source-unit" "angstrom" } "b" { "source-value" 10.32652764 "source-unit" "angstrom" } "c" { "source-value" 7.64981812 "source-unit" "angstrom" } }