{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.655721 0.00802 0.602232 ] [ 0.155721 0.49198 0.397768 ] [ 0.344279 0.50802 0.897768 ] [ 0.844279 0.99198 0.102232 ] [ 0.896262 0.969441 0.648325 ] [ 0.396262 0.530559 0.351675 ] [ 0.103738 0.469441 0.851675 ] [ 0.603738 0.030559 0.148325 ] [ 0.539091 0.353911 0.626813 ] [ 0.039091 0.146089 0.373187 ] [ 0.460909 0.853911 0.873187 ] [ 0.960909 0.646089 0.126813 ] ] } "species" { "source-value" [ "N" "N" "N" "N" "O" "O" "O" "O" "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" 4.22364939 "source-unit" "angstrom" } "b" { "source-value" 4.45168822 "source-unit" "angstrom" } "c" { "source-value" 10.51378521 "source-unit" "angstrom" } }