{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.875776 ] [ 0 0.5 0.124224 ] [ 0.5 0 0.375776 ] [ 0.5 0 0.624224 ] [ 0.5 0.76368 0 ] [ 0.5 0.23632 0 ] [ 0 0.26368 0.5 ] [ 0 0.73632 0.5 ] [ 0 0 0.212681 ] [ 0 0 0.787319 ] [ 0.5 0.5 0.712681 ] [ 0.5 0.5 0.287319 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "P" "P" "P" "P" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.45295712016 "source-unit" "angstrom" } "b" { "source-value" 4.73253492969 "source-unit" "angstrom" } "c" { "source-value" 12.0731499421 "source-unit" "angstrom" } }