{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnca" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.666548 ] [ 0.25 0.5 0.833452 ] [ 0.25 0 0.333452 ] [ 0.75 0.5 0.166548 ] [ 0.75 0.5 0.430087 ] [ 0.25 0 0.069913 ] [ 0.25 0.5 0.569913 ] [ 0.75 0 0.930087 ] [ 0.131133 0.285612 0.667424 ] [ 0.631133 0.214388 0.832576 ] [ 0.868867 0.785612 0.832576 ] [ 0.368867 0.714388 0.667424 ] [ 0.868867 0.714388 0.332576 ] [ 0.368867 0.785612 0.167424 ] [ 0.131133 0.214388 0.167424 ] [ 0.631133 0.285612 0.332576 ] [ 0.571639 0.310948 0.542389 ] [ 0.071639 0.189052 0.957611 ] [ 0.428361 0.810948 0.957611 ] [ 0.928361 0.689052 0.542389 ] [ 0.428361 0.689052 0.457611 ] [ 0.928361 0.810948 0.042389 ] [ 0.571639 0.189052 0.042389 ] [ 0.071639 0.310948 0.457611 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "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" 5.10352708 "source-unit" "angstrom" } "b" { "source-value" 5.66068896 "source-unit" "angstrom" } "c" { "source-value" 13.28230052 "source-unit" "angstrom" } }