{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.482709 0.670782 ] [ 0.75 0.878976 0.599658 ] [ 0.75 0.017291 0.170782 ] [ 0.25 0.621024 0.099658 ] [ 0.25 0.121024 0.400342 ] [ 0.25 0.982709 0.829218 ] [ 0.75 0.378976 0.900342 ] [ 0.75 0.517291 0.329218 ] [ 0.25 0.222208 0.076715 ] [ 0.75 0.777792 0.923285 ] [ 0.25 0.722208 0.423285 ] [ 0.75 0.277792 0.576715 ] [ 0.25 0.472046 0.41136 ] [ 0.25 0.821677 0.594568 ] [ 0.986162 0.821645 0.342425 ] [ 0.75 0.678323 0.094568 ] [ 0.25 0.972046 0.08864 ] [ 0.513838 0.321645 0.157575 ] [ 0.013838 0.678355 0.842425 ] [ 0.486162 0.678355 0.842425 ] [ 0.513838 0.821645 0.342425 ] [ 0.486162 0.178355 0.657575 ] [ 0.75 0.178323 0.405432 ] [ 0.25 0.321677 0.905432 ] [ 0.75 0.527954 0.58864 ] [ 0.986162 0.321645 0.157575 ] [ 0.75 0.027954 0.91136 ] [ 0.013838 0.178355 0.657575 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Hg" "Hg" "Hg" "Hg" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.18665672 "source-unit" "angstrom" } "b" { "source-value" 10.51894526 "source-unit" "angstrom" } "c" { "source-value" 14.44132254 "source-unit" "angstrom" } }