{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.900071 0.75 ] [ 0 0.099929 0.25 ] [ 0 0.097769 0.75 ] [ 0 0.902231 0.25 ] [ 0.5 0.228753 0.380186 ] [ 0.5 0.771247 0.880186 ] [ 0.5 0.771247 0.619814 ] [ 0.5 0.228753 0.119814 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.400071 0.75 ] [ 0.5 0.599929 0.25 ] [ 0.5 0.597769 0.75 ] [ 0.5 0.402231 0.25 ] [ 0 0.728753 0.380186 ] [ 0 0.271247 0.880186 ] [ 0 0.271247 0.619814 ] [ 0 0.728753 0.119814 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.131559 0.913736 ] [ 0.5 0.868441 0.413736 ] [ 0.5 0.868441 0.086264 ] [ 0.5 0.131559 0.586264 ] [ 0 0.631559 0.913736 ] [ 0 0.368441 0.413736 ] [ 0 0.368441 0.086264 ] [ 0 0.631559 0.586264 ] [ 0.5 0.005035 0.845787 ] [ 0.5 0.994965 0.345787 ] [ 0.5 0.994965 0.154213 ] [ 0.5 0.005035 0.654213 ] [ 0.5 0.206716 0.75 ] [ 0.5 0.793284 0.25 ] [ 0 0.850934 0.979803 ] [ 0 0.149066 0.479803 ] [ 0 0.149066 0.020197 ] [ 0 0.850934 0.520197 ] [ 0 0.505035 0.845787 ] [ 0 0.494965 0.345787 ] [ 0 0.494965 0.154213 ] [ 0 0.505035 0.654213 ] [ 0 0.706716 0.75 ] [ 0 0.293284 0.25 ] [ 0.5 0.350934 0.979803 ] [ 0.5 0.649066 0.479803 ] [ 0.5 0.649066 0.020197 ] [ 0.5 0.350934 0.520197 ] [ 0.5 0.844237 0.75 ] [ 0.5 0.155763 0.25 ] [ 0 0.344237 0.75 ] [ 0 0.655763 0.25 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.8009207 "source-unit" "angstrom" } "b" { "source-value" 22.43918242 "source-unit" "angstrom" } "c" { "source-value" 14.90723429 "source-unit" "angstrom" } }