{ "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 0.500959 0.799515 ] [ 0.25 0.999041 0.299515 ] [ 0.75 0.000959 0.700485 ] [ 0.25 0.499041 0.200485 ] [ 0.25 0.806065 0.906555 ] [ 0.25 0.306065 0.593445 ] [ 0.75 0.193935 0.093445 ] [ 0.75 0.693935 0.406555 ] [ 0.25 0.699142 0.583595 ] [ 0.25 0.199142 0.916405 ] [ 0.75 0.800858 0.083595 ] [ 0.75 0.300858 0.416405 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Si" "Si" "Si" "Si" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.159675 "source-unit" "angstrom" } "b" { "source-value" 6.61008859 "source-unit" "angstrom" } "c" { "source-value" 7.33300491 "source-unit" "angstrom" } }