{ "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" [ [ 0.25 0.346985 0.004435 ] [ 0.25 0.267988 0.288831 ] [ 0.25 0.846985 0.495565 ] [ 0.75 0.153015 0.504435 ] [ 0.75 0.653015 0.995565 ] [ 0.75 0.934406 0.897319 ] [ 0.75 0.434406 0.602681 ] [ 0.25 0.065594 0.102681 ] [ 0.75 0.732012 0.711169 ] [ 0.75 0.232012 0.788831 ] [ 0.25 0.565594 0.397319 ] [ 0.25 0.767988 0.211169 ] [ 0.75 0.94809 0.300322 ] [ 0.25 0.55191 0.800322 ] [ 0.25 0.05191 0.699678 ] [ 0.75 0.44809 0.199678 ] [ 0.75 0.448889 0.867377 ] [ 0.25 0.051111 0.367377 ] [ 0.75 0.746036 0.371938 ] [ 0.25 0.753964 0.871938 ] [ 0.75 0.895282 0.113495 ] [ 0.75 0.395282 0.386505 ] [ 0.75 0.246036 0.128062 ] [ 0.25 0.104718 0.886505 ] [ 0.25 0.253964 0.628062 ] [ 0.75 0.948889 0.632623 ] [ 0.25 0.604718 0.613495 ] [ 0.25 0.551111 0.132623 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "In" "In" "In" "In" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.15886838609 "source-unit" "angstrom" } "b" { "source-value" 12.1215171484 "source-unit" "angstrom" } "c" { "source-value" 13.5951235011 "source-unit" "angstrom" } }