{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0.675827 0 0.176411 ] [ 0 0.216615 0 ] [ 0 0.716615 0.5 ] [ 0.324173 0 0.823589 ] [ 0.824173 0 0.676411 ] [ 0 0.783385 0 ] [ 0.175827 0 0.323589 ] [ 0 0.283385 0.5 ] [ 0.175827 0.5 0.176411 ] [ 0.5 0.716615 0 ] [ 0.5 0.216615 0.5 ] [ 0.824173 0.5 0.823589 ] [ 0.324173 0.5 0.676411 ] [ 0.5 0.283385 0 ] [ 0.675827 0.5 0.323589 ] [ 0.5 0.783385 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.4369150086 "source-unit" "angstrom" } "b" { "source-value" 17.370210359 "source-unit" "angstrom" } "c" { "source-value" 10.44175031 "source-unit" "angstrom" } }