{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.017778 0.025646 0.75 ] [ 0.482222 0.525646 0.75 ] [ 0.517778 0.474354 0.25 ] [ 0.982222 0.974354 0.25 ] [ 0.204918 0.427236 0.25 ] [ 0.128905 0.170485 0.591864 ] [ 0.128905 0.170485 0.908136 ] [ 0.371095 0.670485 0.591864 ] [ 0.371095 0.670485 0.908136 ] [ 0.295082 0.927236 0.25 ] [ 0.704918 0.072764 0.75 ] [ 0.628905 0.329515 0.091864 ] [ 0.628905 0.329515 0.408136 ] [ 0.871095 0.829515 0.091864 ] [ 0.871095 0.829515 0.408136 ] [ 0.795082 0.572764 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Se" "Se" "Se" "Se" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.46070025 "source-unit" "angstrom" } "b" { "source-value" 6.49213175 "source-unit" "angstrom" } "c" { "source-value" 8.44653725 "source-unit" "angstrom" } }