{ "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 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.298462 0 ] [ 0.5 0.701538 0 ] [ 0 0.798462 0.5 ] [ 0 0.201538 0.5 ] [ 0.5 0 0.699294 ] [ 0.5 0 0.300706 ] [ 0 0.5 0.199294 ] [ 0 0.5 0.800706 ] ] } "species" { "source-value" [ "Ni" "Ni" "B" "B" "B" "B" "Mo" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.18496024 "source-unit" "angstrom" } "b" { "source-value" 4.57644202 "source-unit" "angstrom" } "c" { "source-value" 7.1383501 "source-unit" "angstrom" } }