{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.316537 0.88925 ] [ 0 0.183463 0.38925 ] [ 0 0.816537 0.61075 ] [ 0.5 0.683463 0.11075 ] ] } "species" { "source-value" [ "Ni" "Ni" "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" 3.52916152 "source-unit" "angstrom" } "b" { "source-value" 4.58622963 "source-unit" "angstrom" } "c" { "source-value" 5.60904184 "source-unit" "angstrom" } }