{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.862302 0.533366 0.75 ] [ 0.375664 0.75 0.5 ] [ 0.137698 0.466634 0.25 ] [ 0.375664 0.75 0 ] [ 0.137698 0.033366 0.75 ] [ 0.862302 0.966634 0.25 ] [ 0.624336 0.25 0.5 ] [ 0.624336 0.25 0 ] [ 0.127937 0.25 0 ] [ 0.127937 0.25 0.5 ] [ 0.872063 0.75 0.5 ] [ 0.872063 0.75 0 ] [ 0.49289 0.191762 0.25 ] [ 0.50711 0.691762 0.25 ] [ 0.50711 0.808238 0.75 ] [ 0.49289 0.308238 0.75 ] [ 0.285233 0.07268 0.970401 ] [ 0.285233 0.42732 0.029599 ] [ 0.028278 0.774145 0.61974 ] [ 0.971722 0.225855 0.11974 ] [ 0.714767 0.92732 0.029599 ] [ 0.028278 0.725855 0.11974 ] [ 0.714767 0.57268 0.529599 ] [ 0.971722 0.274145 0.88026 ] [ 0.971722 0.274145 0.61974 ] [ 0.714767 0.57268 0.970401 ] [ 0.028278 0.774145 0.88026 ] [ 0.028278 0.725855 0.38026 ] [ 0.971722 0.225855 0.38026 ] [ 0.285233 0.07268 0.529599 ] [ 0.714767 0.92732 0.470401 ] [ 0.285233 0.42732 0.470401 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "V" "V" "V" "V" "Cl" "Cl" "Cl" "Cl" "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" 6.6520912 "source-unit" "angstrom" } "b" { "source-value" 7.58982873 "source-unit" "angstrom" } "c" { "source-value" 11.6467408 "source-unit" "angstrom" } }