{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.828455 ] [ 0 0.286906 0 ] [ 0.5 0.5 0.171545 ] [ 0 0.713094 0 ] [ 0 0 0.328455 ] [ 0.5 0.786906 0.5 ] [ 0 0 0.671545 ] [ 0.5 0.213094 0.5 ] [ 0.5 0.5 0.959546 ] [ 0.5 0.5 0.040454 ] [ 0 0 0.459546 ] [ 0 0 0.540454 ] [ 0 0.227729 0.832569 ] [ 0 0.772271 0.167431 ] [ 0 0.772271 0.832569 ] [ 0.5 0 0 ] [ 0 0.227729 0.167431 ] [ 0.5 0.727729 0.332569 ] [ 0.5 0.272271 0.667431 ] [ 0.5 0.272271 0.332569 ] [ 0 0.5 0.5 ] [ 0.5 0.727729 0.667431 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "C" "C" "C" "C" "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" 3.97973366637 "source-unit" "angstrom" } "b" { "source-value" 7.97669201906 "source-unit" "angstrom" } "c" { "source-value" 17.5453814103 "source-unit" "angstrom" } }