{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.80925 0.596353 ] [ 0.75 0.30925 0.903647 ] [ 0.25 0.69075 0.096353 ] [ 0.25 0.19075 0.403647 ] [ 0.25 0.025493 0.784155 ] [ 0.75 0.974507 0.215845 ] [ 0.25 0.525493 0.715845 ] [ 0.75 0.474507 0.284155 ] [ 0.25 0.61179 0.599159 ] [ 0.75 0.38821 0.400841 ] [ 0.75 0.88821 0.099159 ] [ 0.25 0.11179 0.900841 ] [ 0.49115 0.628457 0.830998 ] [ 0.99115 0.371543 0.169002 ] [ 0.00885 0.628457 0.830998 ] [ 0.99115 0.871543 0.330998 ] [ 0.49115 0.128457 0.669002 ] [ 0.50885 0.871543 0.330998 ] [ 0.00885 0.128457 0.669002 ] [ 0.50885 0.371543 0.169002 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "N" "N" "N" "N" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.9253702 "source-unit" "angstrom" } "b" { "source-value" 6.63946598 "source-unit" "angstrom" } "c" { "source-value" 8.58924433 "source-unit" "angstrom" } }