{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.300064 0 0 ] [ 0.699936 0 0 ] [ 0.800064 0.5 0 ] [ 0.199936 0.5 0 ] [ 0 0.195957 0.5 ] [ 0 0.804043 0.5 ] [ 0.5 0.695957 0.5 ] [ 0.5 0.304043 0.5 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.44708781 "source-unit" "angstrom" } "b" { "source-value" 7.0355697 "source-unit" "angstrom" } "c" { "source-value" 3.08489835 "source-unit" "angstrom" } }