{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.81604 ] [ 0.5 0 0.68396 ] [ 0 0.5 0.18396 ] [ 0.5 0 0.31604 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.04228 0.246004 0.5 ] [ 0.45772 0.746004 0 ] [ 0.95772 0.753996 0.5 ] [ 0.54228 0.253996 0 ] [ 0.299523 0.798488 0.139858 ] [ 0.799523 0.701512 0.360142 ] [ 0.299523 0.798488 0.860142 ] [ 0.700477 0.201512 0.860142 ] [ 0.799523 0.701512 0.639858 ] [ 0.200477 0.298488 0.639858 ] [ 0.246999 0.324375 0 ] [ 0.746999 0.175625 0.5 ] [ 0.253001 0.824375 0.5 ] [ 0.753001 0.675625 0 ] [ 0.700477 0.201512 0.139858 ] [ 0.200477 0.298488 0.360142 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "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" 4.49903273 "source-unit" "angstrom" } "b" { "source-value" 5.44754079 "source-unit" "angstrom" } "c" { "source-value" 8.39500153 "source-unit" "angstrom" } }