{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.113543 ] [ 0 0 0.886457 ] [ 0.5 0 0.677139 ] [ 0 0.5 0.322861 ] [ 0 0.5 0.956583 ] [ 0.5 0 0.043417 ] ] } "species" { "source-value" [ "V" "V" "Cl" "Cl" "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" 3.37862924 "source-unit" "angstrom" } "b" { "source-value" 3.8498406 "source-unit" "angstrom" } "c" { "source-value" 8.21559911 "source-unit" "angstrom" } }