{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbam" } "basis-atom-coordinates" { "source-value" [ [ 0 0.127347 0.150186 ] [ 0 0.872653 0.849814 ] [ 0 0.627347 0.349814 ] [ 0 0.372653 0.650186 ] [ 0 0.134495 0.411253 ] [ 0 0.865505 0.588747 ] [ 0 0.634495 0.088747 ] [ 0 0.365505 0.911253 ] [ 0.5 0.363151 0.467287 ] [ 0.5 0.636849 0.532713 ] [ 0.5 0.863151 0.032713 ] [ 0.5 0.136849 0.967287 ] [ 0.5 0.478486 0.19201 ] [ 0.5 0.521514 0.80799 ] [ 0.5 0.978486 0.30799 ] [ 0.5 0.021514 0.69201 ] [ 0.5 0.285872 0.314737 ] [ 0.5 0.714128 0.685263 ] [ 0.5 0.785872 0.185263 ] [ 0.5 0.214128 0.814737 ] [ 0.5 0.386214 0.047683 ] [ 0.5 0.613786 0.952317 ] [ 0.5 0.886214 0.452317 ] [ 0.5 0.113786 0.547683 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.36240712 "source-unit" "angstrom" } "b" { "source-value" 5.83950398 "source-unit" "angstrom" } "c" { "source-value" 11.33214418 "source-unit" "angstrom" } }