{ "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" [ [ 0.25 0.01553 0.190756 ] [ 0.75 0.48447 0.690756 ] [ 0.25 0.51553 0.309244 ] [ 0.75 0.98447 0.809244 ] [ 0.25 0.645401 0.934686 ] [ 0.75 0.354599 0.065314 ] [ 0.25 0.145401 0.565314 ] [ 0.75 0.854599 0.434686 ] [ 0.75 0.726765 0.114279 ] [ 0.25 0.773235 0.614279 ] [ 0.75 0.226765 0.385721 ] [ 0.25 0.273235 0.885721 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Co" "Co" "Co" "Co" "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" 3.70496676 "source-unit" "angstrom" } "b" { "source-value" 6.12467502 "source-unit" "angstrom" } "c" { "source-value" 6.8926672 "source-unit" "angstrom" } }