{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Icma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.762415 ] [ 0.5 0.75 0 ] [ 0.5 0.25 0 ] [ 0 0.75 0.762415 ] [ 0 0.75 0.237585 ] [ 0 0.25 0.237585 ] [ 0.5 0.75 0.262415 ] [ 0 0.25 0.5 ] [ 0 0.75 0.5 ] [ 0.5 0.25 0.262415 ] [ 0.5 0.25 0.737585 ] [ 0.5 0.75 0.737585 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.748947 0.5 0.125303 ] [ 0.251053 0 0.125303 ] [ 0.748947 0 0.874697 ] [ 0.251053 0.5 0.874697 ] [ 0.248947 0 0.625303 ] [ 0.751053 0.5 0.625303 ] [ 0.248947 0.5 0.374697 ] [ 0.751053 0 0.374697 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.31300805 "source-unit" "angstrom" } "b" { "source-value" 6.0824353 "source-unit" "angstrom" } "c" { "source-value" 10.5187958 "source-unit" "angstrom" } }