{ "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" [ [ 0.18981 0.99259 0.64488 ] [ 0.856257 0.75 0.075768 ] [ 0.643743 0.75 0.575768 ] [ 0.143743 0.25 0.924232 ] [ 0.356257 0.25 0.424232 ] [ 0.68981 0.00741 0.85512 ] [ 0.81019 0.49259 0.35512 ] [ 0.31019 0.50741 0.14488 ] [ 0.81019 0.00741 0.35512 ] [ 0.31019 0.99259 0.14488 ] [ 0.18981 0.50741 0.64488 ] [ 0.68981 0.49259 0.85512 ] [ 0.273973 0.75 0.886331 ] [ 0.726027 0.25 0.113669 ] [ 0.773973 0.25 0.613669 ] [ 0.226027 0.75 0.386331 ] [ 0.62835 0.405227 0.608122 ] [ 0.12835 0.594773 0.891878 ] [ 0.37165 0.905227 0.391878 ] [ 0.87165 0.094773 0.108122 ] [ 0.37165 0.594773 0.391878 ] [ 0.87165 0.405227 0.108122 ] [ 0.62835 0.094773 0.608122 ] [ 0.12835 0.905227 0.891878 ] [ 0.05961 0.75 0.491012 ] [ 0.410941 0.75 0.770451 ] [ 0.94039 0.25 0.508988 ] [ 0.44039 0.75 0.991012 ] [ 0.089059 0.75 0.270451 ] [ 0.589059 0.25 0.229549 ] [ 0.910941 0.25 0.729549 ] [ 0.55961 0.25 0.008988 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.74091126 "source-unit" "angstrom" } "b" { "source-value" 9.19864401 "source-unit" "angstrom" } "c" { "source-value" 12.73989479 "source-unit" "angstrom" } }