{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.820531 0.269698 ] [ 0 0.091447 0 ] [ 0.5 0.820531 0.730302 ] [ 0 0.320531 0.269698 ] [ 0.5 0.591447 0 ] [ 0 0.320531 0.730302 ] [ 0.5 0.040584 0.5 ] [ 0 0.540584 0.5 ] [ 0 0.827879 0 ] [ 0.5 0.105659 0.280333 ] [ 0 0.930712 0.5 ] [ 0.5 0.105659 0.719667 ] [ 0.5 0.327879 0 ] [ 0 0.605659 0.280333 ] [ 0.5 0.430712 0.5 ] [ 0 0.605659 0.719667 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Li" "Li" "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" 4.35987170305 "source-unit" "angstrom" } "b" { "source-value" 13.0744631292 "source-unit" "angstrom" } "c" { "source-value" 10.1336753969 "source-unit" "angstrom" } }