{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmm2" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.790381 ] [ 0.5 0.5 0.909368 ] [ 0 0 0.008008 ] [ 0.5 0.5 0.106161 ] [ 0 0 0.20417 ] [ 0.5 0.5 0.301867 ] [ 0 0 0.398998 ] [ 0.5 0.5 0.496213 ] [ 0 0 0.593949 ] [ 0.5 0.5 0.691823 ] [ 0.5 0 0.247347 ] [ 0 0.5 0.352543 ] [ 0.5 0 0.449553 ] [ 0 0.5 0.540332 ] [ 0.5 0 0.650013 ] [ 0 0.5 0.733581 ] [ 0 0.5 0.850068 ] [ 0 0.5 0.967288 ] [ 0.5 0 0.048776 ] [ 0.5 0 0.951475 ] [ 0 0.5 0.065408 ] [ 0 0.5 0.162648 ] [ 0.5 0 0.147472 ] [ 0 0.5 0.258393 ] [ 0.5 0 0.34817 ] [ 0 0.5 0.446021 ] [ 0.5 0 0.55034 ] [ 0 0.5 0.636238 ] [ 0.5 0 0.747652 ] ] } "species" { "source-value" [ "Sm" "Sm" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "O" "O" "O" "O" "O" "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" 3.67038181 "source-unit" "angstrom" } "b" { "source-value" 3.67938492 "source-unit" "angstrom" } "c" { "source-value" 26.54629004 "source-unit" "angstrom" } }