{ "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" [ [ 0.75 0.8512 0.25 ] [ 0.25 0.1488 0.75 ] [ 0.25 0.393626 0.097363 ] [ 0.75 0.606374 0.902637 ] [ 0.75 0.606374 0.597363 ] [ 0.25 0.393626 0.402637 ] [ 0.75 0.443055 0.75 ] [ 0.25 0.556945 0.25 ] [ 0.75 0.540287 0.074343 ] [ 0.25 0.459713 0.925657 ] [ 0.75 0.540287 0.425657 ] [ 0.25 0.459713 0.574343 ] [ 0.25 0.067518 0.37334 ] [ 0.75 0.932482 0.62666 ] [ 0.75 0.932482 0.87334 ] [ 0.25 0.067518 0.12666 ] ] } "species" { "source-value" [ "Ca" "Ca" "V" "V" "V" "V" "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" 3.61681813 "source-unit" "angstrom" } "b" { "source-value" 5.07507307 "source-unit" "angstrom" } "c" { "source-value" 11.54747559 "source-unit" "angstrom" } }