{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.704261 0.767627 ] [ 0 0.295739 0.267627 ] [ 0.5 0.704261 0.232373 ] [ 0 0.295739 0.732373 ] [ 0 0.775398 0.5 ] [ 0.5 0.224602 0 ] [ 0.5 0.265035 0.5 ] [ 0 0.734965 0 ] [ 0.5 0.28205 0.732628 ] [ 0.5 0.28205 0.267372 ] [ 0 0.71795 0.767372 ] [ 0 0.71795 0.232628 ] [ 0.732985 0.501962 0.5 ] [ 0.267015 0.501962 0.5 ] [ 0.744601 0.05517 0.5 ] [ 0.255399 0.05517 0.5 ] [ 0.244601 0.94483 0 ] [ 0.755399 0.94483 0 ] [ 0.767015 0.498038 0 ] [ 0.232985 0.498038 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ca" "Ca" "W" "W" "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" 5.83867995 "source-unit" "angstrom" } "b" { "source-value" 6.10664375 "source-unit" "angstrom" } "c" { "source-value" 8.36580941 "source-unit" "angstrom" } }