{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.999606 0.799873 ] [ 0.25 0.000394 0.200127 ] [ 0.75 0.499606 0.700127 ] [ 0.25 0.500394 0.299873 ] [ 0.75 0.80082 0.423968 ] [ 0.25 0.19918 0.576032 ] [ 0.75 0.30082 0.076032 ] [ 0.25 0.69918 0.923968 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.31501434 "source-unit" "angstrom" } "b" { "source-value" 5.39728066 "source-unit" "angstrom" } "c" { "source-value" 5.99785936 "source-unit" "angstrom" } }