{ "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 0.737873 0.564858 ] [ 0.75 0.237873 0.935142 ] [ 0.25 0.262127 0.435142 ] [ 0.25 0.762127 0.064858 ] [ 0.75 0.852929 0.858818 ] [ 0.494814 0.435508 0.19031 ] [ 0.75 0.099308 0.484156 ] [ 0.25 0.317839 0.746649 ] [ 0.25 0.900692 0.515844 ] [ 0.75 0.439415 0.401609 ] [ 0.505186 0.564492 0.80969 ] [ 0.25 0.060585 0.901609 ] [ 0.75 0.599308 0.015844 ] [ 0.25 0.147071 0.141182 ] [ 0.494814 0.935508 0.30969 ] [ 0.505186 0.064492 0.69031 ] [ 0.75 0.939415 0.098391 ] [ 0.25 0.560585 0.598391 ] [ 0.994814 0.564492 0.80969 ] [ 0.75 0.352929 0.641182 ] [ 0.005186 0.935508 0.30969 ] [ 0.75 0.182161 0.246649 ] [ 0.25 0.817839 0.753351 ] [ 0.25 0.647071 0.358818 ] [ 0.75 0.682161 0.253351 ] [ 0.994814 0.064492 0.69031 ] [ 0.005186 0.435508 0.19031 ] [ 0.25 0.400692 0.984156 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.15500652 "source-unit" "angstrom" } "b" { "source-value" 8.12047275 "source-unit" "angstrom" } "c" { "source-value" 10.22604408 "source-unit" "angstrom" } }