{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.032051 0.283002 ] [ 0.25 0.467949 0.783002 ] [ 0.75 0.180639 0.944309 ] [ 0.25 0.319361 0.444309 ] [ 0.75 0.680639 0.555691 ] [ 0.25 0.819361 0.055691 ] [ 0.25 0.967949 0.716998 ] [ 0.75 0.532051 0.216998 ] [ 0.25 0.778115 0.364925 ] [ 0.25 0.278115 0.135075 ] [ 0.75 0.721885 0.864925 ] [ 0.75 0.221885 0.635075 ] [ 0.25 0.178712 0.951936 ] [ 0.25 0.044887 0.259329 ] [ 0.75 0.955113 0.740671 ] [ 0.75 0.321288 0.451936 ] [ 0.25 0.544887 0.240671 ] [ 0.25 0.678712 0.548064 ] [ 0.75 0.821288 0.048064 ] [ 0.75 0.455113 0.759329 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Re" "Re" "Re" "Re" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.12989981 "source-unit" "angstrom" } "b" { "source-value" 6.59519756 "source-unit" "angstrom" } "c" { "source-value" 9.90978189 "source-unit" "angstrom" } }