{ "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" [ [ 0.25 0.685468 0.491056 ] [ 0.75 0.814532 0.991056 ] [ 0.25 0.185468 0.008944 ] [ 0.75 0.314532 0.508944 ] [ 0.75 0.944587 0.416559 ] [ 0.25 0.055413 0.583441 ] [ 0.75 0.444587 0.083441 ] [ 0.25 0.555413 0.916559 ] [ 0.75 0.114816 0.786037 ] [ 0.25 0.385184 0.286037 ] [ 0.75 0.614815 0.713963 ] [ 0.25 0.855899 0.777969 ] [ 0.75 0.144101 0.222031 ] [ 0.25 0.355899 0.722031 ] [ 0.25 0.885185 0.213963 ] [ 0.75 0.644101 0.277969 ] [ 0.75 0.394061 0.856836 ] [ 0.75 0.894061 0.643164 ] [ 0.25 0.105939 0.356836 ] [ 0.25 0.605939 0.143164 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.05138822 "source-unit" "angstrom" } "b" { "source-value" 8.15661888 "source-unit" "angstrom" } "c" { "source-value" 10.64669839 "source-unit" "angstrom" } }