{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.962052 0.75 ] [ 0.5 0.037948 0.25 ] [ 0.5 0.165342 0.566026 ] [ 0.5 0.834658 0.433974 ] [ 0.5 0.165342 0.933974 ] [ 0.5 0.834658 0.066026 ] [ 0 0.462052 0.75 ] [ 0 0.537948 0.25 ] [ 0 0.665342 0.566026 ] [ 0 0.334658 0.433974 ] [ 0 0.665342 0.933974 ] [ 0 0.334658 0.066026 ] [ 0 0 0 ] [ 0.5 0.760227 0.75 ] [ 0.5 0.239773 0.25 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.260227 0.75 ] [ 0 0.739773 0.25 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "S" "S" "S" "S" "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" 3.21404436 "source-unit" "angstrom" } "b" { "source-value" 11.09415013 "source-unit" "angstrom" } "c" { "source-value" 6.84835491 "source-unit" "angstrom" } }