{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0.25 0.223549 ] [ 0 0.75 0.776451 ] [ 0.5 0 0.5 ] [ 0 0.25 0.763694 ] [ 0 0.75 0.236306 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.25 0.633252 ] [ 0 0.464527 0.365689 ] [ 0.5 0.25 0.097068 ] [ 0.5 0.75 0.133847 ] [ 0 0.525665 0.11355 ] [ 0 0.474335 0.88645 ] [ 0 0.025665 0.88645 ] [ 0.5 0.25 0.866153 ] [ 0.5 0.75 0.902932 ] [ 0 0.535473 0.634311 ] [ 0 0.964527 0.634311 ] [ 0 0.035473 0.365689 ] [ 0.5 0.75 0.366748 ] [ 0 0.974335 0.11355 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Zr" "Zr" "Zr" "Zr" "O" "O" "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" 3.70019946 "source-unit" "angstrom" } "b" { "source-value" 7.7105313 "source-unit" "angstrom" } "c" { "source-value" 11.15363132 "source-unit" "angstrom" } }