{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.417469 0.178696 ] [ 0 0.582531 0.678696 ] [ 0 0.90225 0.459787 ] [ 0 0.09775 0.959787 ] [ 0.5 0.917469 0.178696 ] [ 0.5 0.082531 0.678696 ] [ 0.5 0.40225 0.459787 ] [ 0.5 0.59775 0.959787 ] [ 0.236362 0.162889 0.334152 ] [ 0.763638 0.837111 0.834152 ] [ 0.763638 0.162889 0.334152 ] [ 0.236362 0.837111 0.834152 ] [ 0 0.792474 0.992213 ] [ 0 0.207526 0.492213 ] [ 0.736362 0.662889 0.334152 ] [ 0.263638 0.337111 0.834152 ] [ 0.263638 0.662889 0.334152 ] [ 0.736362 0.337111 0.834152 ] [ 0.5 0.292474 0.992213 ] [ 0.5 0.707526 0.492213 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.12641999 "source-unit" "angstrom" } "b" { "source-value" 11.75906481 "source-unit" "angstrom" } "c" { "source-value" 8.53790234 "source-unit" "angstrom" } }