{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.241764 0 0 ] [ 0.258236 0.5 0.5 ] [ 0.758236 0 0 ] [ 0.741764 0.5 0.5 ] [ 0 0.129429 0.639181 ] [ 0 0.870571 0.360819 ] [ 0.5 0.629429 0.860819 ] [ 0.5 0.370571 0.139181 ] [ 0 0.245752 0.252241 ] [ 0 0.754248 0.747759 ] [ 0.5 0.745752 0.247759 ] [ 0.5 0.254248 0.752241 ] [ 0.739716 0.730754 0.365771 ] [ 0.739716 0.269246 0.634229 ] [ 0.760284 0.230754 0.134229 ] [ 0.760284 0.769246 0.865771 ] [ 0.260284 0.269246 0.634229 ] [ 0.260284 0.730754 0.365771 ] [ 0.239716 0.769246 0.865771 ] [ 0.239716 0.230754 0.134229 ] [ 0.5 0.397468 0.900662 ] [ 0.5 0.602532 0.099338 ] [ 0 0.897468 0.599338 ] [ 0 0.102532 0.400662 ] [ 0.5 0.424031 0.362861 ] [ 0.5 0.575969 0.637139 ] [ 0 0.924031 0.137139 ] [ 0 0.075969 0.862861 ] [ 0 0.424122 0.363592 ] [ 0 0.575878 0.636408 ] [ 0.5 0.924122 0.136408 ] [ 0.5 0.075878 0.863592 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "O" "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" 5.61389818 "source-unit" "angstrom" } "b" { "source-value" 7.87578546 "source-unit" "angstrom" } "c" { "source-value" 7.97941983 "source-unit" "angstrom" } }