{ "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" [ [ 0.149041 0.962888 0.019036 ] [ 0.350959 0.037112 0.519036 ] [ 0.850959 0.462888 0.480964 ] [ 0.117625 0.791637 0.721334 ] [ 0.649041 0.537112 0.980964 ] [ 0.382375 0.208363 0.221334 ] [ 0.882375 0.291637 0.778666 ] [ 0.617625 0.708363 0.278666 ] [ 0.138473 0.335538 0.150291 ] [ 0.42452 0.478526 0.891335 ] [ 0.861527 0.835538 0.349709 ] [ 0.361527 0.664462 0.650291 ] [ 0.07548 0.521474 0.391335 ] [ 0.92452 0.021474 0.108665 ] [ 0.638473 0.164462 0.849709 ] [ 0.57548 0.978526 0.608665 ] [ 0.287615 0.921635 0.961721 ] [ 0.544299 0.139423 0.266034 ] [ 0.955701 0.860577 0.766034 ] [ 0.455701 0.639423 0.233966 ] [ 0.712385 0.421635 0.538279 ] [ 0.787615 0.578365 0.038279 ] [ 0.044299 0.360577 0.733966 ] [ 0.212385 0.078365 0.461721 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "C" "C" "C" "C" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.08312409 "source-unit" "angstrom" } "b" { "source-value" 6.5356998 "source-unit" "angstrom" } "c" { "source-value" 15.70250636 "source-unit" "angstrom" } }