{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.335882 0.379579 ] [ 0 0.664118 0.879579 ] [ 0.5 0.835882 0.379579 ] [ 0.5 0.164118 0.879579 ] [ 0 0.00933 0.491393 ] [ 0 0.99067 0.991393 ] [ 0 0.662598 0.268028 ] [ 0 0.337402 0.768028 ] [ 0.5 0.50933 0.491393 ] [ 0.5 0.49067 0.991393 ] [ 0.5 0.162598 0.268028 ] [ 0.5 0.837402 0.768028 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.12760505 "source-unit" "angstrom" } "b" { "source-value" 7.02964964 "source-unit" "angstrom" } "c" { "source-value" 14.51420552 "source-unit" "angstrom" } }