{ "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 0.133781 0.102284 ] [ 0.75 0.366219 0.602284 ] [ 0.25 0.633781 0.397716 ] [ 0.25 0.008904 0.673227 ] [ 0.75 0.991096 0.326773 ] [ 0.75 0.866219 0.897716 ] [ 0.25 0.508904 0.826773 ] [ 0.75 0.491096 0.173227 ] [ 0.25 0.731934 0.084004 ] [ 0.25 0.231934 0.415996 ] [ 0.75 0.768066 0.584004 ] [ 0.75 0.268066 0.915996 ] [ 0.516364 0.282542 0.359496 ] [ 0.983636 0.282542 0.359496 ] [ 0.516364 0.782542 0.140504 ] [ 0.25 0.357922 0.56929 ] [ 0.016364 0.717458 0.640504 ] [ 0.25 0.857922 0.93071 ] [ 0.483636 0.217458 0.859496 ] [ 0.75 0.492451 0.880867 ] [ 0.983636 0.782542 0.140504 ] [ 0.25 0.507549 0.119133 ] [ 0.016364 0.217458 0.859496 ] [ 0.75 0.992451 0.619133 ] [ 0.483636 0.717458 0.640504 ] [ 0.75 0.642078 0.43071 ] [ 0.75 0.142078 0.06929 ] [ 0.25 0.007549 0.380867 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cu" "Cu" "Cu" "Cu" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.78238181 "source-unit" "angstrom" } "b" { "source-value" 9.96156779 "source-unit" "angstrom" } "c" { "source-value" 12.39000553 "source-unit" "angstrom" } }