{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.836035 0.145195 ] [ 0 0.163965 0.854805 ] [ 0.5 0.836035 0.854805 ] [ 0.5 0.163965 0.145195 ] [ 0.5 0.336035 0.645195 ] [ 0.5 0.663965 0.354805 ] [ 0 0.336035 0.354805 ] [ 0 0.663965 0.645195 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0.5 0.327354 0.901008 ] [ 0.5 0.672646 0.098992 ] [ 0 0.327354 0.098992 ] [ 0 0.672646 0.901008 ] [ 0 0.827354 0.401008 ] [ 0 0.172646 0.598992 ] [ 0.5 0.827354 0.598992 ] [ 0.5 0.172646 0.401008 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Sn" "Sn" "Sn" "Sn" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.08531377 "source-unit" "angstrom" } "b" { "source-value" 7.90887541 "source-unit" "angstrom" } "c" { "source-value" 14.93048429 "source-unit" "angstrom" } }