{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccce" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.75 ] [ 0.5 0.25 0.25 ] [ 0.5 0.75 0.75 ] [ 0 0.75 0.25 ] [ 0 0.083276 0.25 ] [ 0.5 0.916724 0.25 ] [ 0.5 0.083276 0.75 ] [ 0 0.916724 0.75 ] [ 0.5 0.583276 0.25 ] [ 0 0.416724 0.25 ] [ 0 0.583276 0.75 ] [ 0.5 0.416724 0.75 ] [ 0.345565 0.150015 0.596824 ] [ 0.154435 0.150015 0.096824 ] [ 0.845565 0.849985 0.903176 ] [ 0.654435 0.849985 0.403176 ] [ 0.654435 0.150015 0.903176 ] [ 0.154435 0.849985 0.596824 ] [ 0.845565 0.150015 0.403176 ] [ 0.345565 0.849985 0.096824 ] [ 0.845565 0.650015 0.596824 ] [ 0.654435 0.650015 0.096824 ] [ 0.345565 0.349985 0.903176 ] [ 0.154435 0.349985 0.403176 ] [ 0.154435 0.650015 0.903176 ] [ 0.654435 0.349985 0.596824 ] [ 0.345565 0.650015 0.403176 ] [ 0.845565 0.349985 0.096824 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.05757057099 "source-unit" "angstrom" } "b" { "source-value" 13.3007156563 "source-unit" "angstrom" } "c" { "source-value" 6.03147911 "source-unit" "angstrom" } }