{ "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" [ [ 0.75 0.634512 0.854707 ] [ 0.25 0.365488 0.145293 ] [ 0.75 0.134512 0.645293 ] [ 0.25 0.865488 0.354707 ] [ 0.75 0.982831 0.17554 ] [ 0.25 0.517169 0.67554 ] [ 0.75 0.482831 0.32446 ] [ 0.25 0.017169 0.82446 ] [ 0.25 0.637179 0.053081 ] [ 0.75 0.862821 0.553081 ] [ 0.25 0.137179 0.446919 ] [ 0.75 0.362821 0.946919 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "I" "I" "I" "I" "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" 4.431985 "source-unit" "angstrom" } "b" { "source-value" 9.01465321 "source-unit" "angstrom" } "c" { "source-value" 10.51022351 "source-unit" "angstrom" } }