{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.894915 0.055267 0.146322 ] [ 0.394915 0.944733 0.353678 ] [ 0.105085 0.555267 0.853678 ] [ 0.605085 0.444733 0.646322 ] [ 0.105085 0.944733 0.853678 ] [ 0.605085 0.055267 0.646322 ] [ 0.894915 0.444733 0.146322 ] [ 0.394915 0.555267 0.353678 ] [ 0.497705 0.25 0.934431 ] [ 0.502295 0.75 0.065569 ] [ 0.002295 0.25 0.434431 ] [ 0.997705 0.75 0.565569 ] [ 0.159067 0.75 0.124757 ] [ 0.659067 0.25 0.375243 ] [ 0.840933 0.25 0.875243 ] [ 0.340933 0.75 0.624757 ] [ 0.748107 0.75 0.724593 ] [ 0.751893 0.75 0.224593 ] [ 0.248107 0.25 0.775407 ] [ 0.251893 0.25 0.275407 ] [ 0.908764 0.57066 0.429744 ] [ 0.408764 0.42934 0.070256 ] [ 0.091236 0.07066 0.570256 ] [ 0.591236 0.92934 0.929744 ] [ 0.091236 0.42934 0.570256 ] [ 0.591236 0.57066 0.929744 ] [ 0.908764 0.92934 0.429744 ] [ 0.408764 0.07066 0.070256 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Sn" "Sn" "Sn" "Sn" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.80984487 "source-unit" "angstrom" } "b" { "source-value" 12.13165061 "source-unit" "angstrom" } "c" { "source-value" 12.92001251 "source-unit" "angstrom" } }