{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.478264 0.679031 ] [ 0.25 0.021736 0.179031 ] [ 0.75 0.978264 0.820969 ] [ 0.25 0.521736 0.320969 ] [ 0.25 0.650287 0.935284 ] [ 0.25 0.150287 0.564716 ] [ 0.75 0.849713 0.435284 ] [ 0.75 0.349713 0.064716 ] [ 0.25 0.265706 0.878403 ] [ 0.25 0.765706 0.621597 ] [ 0.75 0.734294 0.121597 ] [ 0.75 0.234294 0.378403 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.72535198 "source-unit" "angstrom" } "b" { "source-value" 6.21610703 "source-unit" "angstrom" } "c" { "source-value" 7.17358899 "source-unit" "angstrom" } }