{ "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" [ [ 0.5 0.169004 0.75 ] [ 0.5 0.830996 0.25 ] [ 0 0.669004 0.75 ] [ 0 0.330996 0.25 ] [ 0 0.088407 0.25 ] [ 0 0.911593 0.75 ] [ 0.5 0.588407 0.25 ] [ 0.5 0.411593 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0.186013 0.498012 ] [ 0 0.813987 0.501988 ] [ 0.5 0.898887 0.75 ] [ 0.5 0.101113 0.25 ] [ 0 0.186013 0.001988 ] [ 0 0.813987 0.998012 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.686013 0.498012 ] [ 0.5 0.313987 0.501988 ] [ 0 0.398887 0.75 ] [ 0 0.601113 0.25 ] [ 0.5 0.686013 0.001988 ] [ 0.5 0.313987 0.998012 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Mg" "Mg" "Mg" "Mg" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.07702114936 "source-unit" "angstrom" } "b" { "source-value" 15.0274167972 "source-unit" "angstrom" } "c" { "source-value" 5.6009314 "source-unit" "angstrom" } }