{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2mm" } "basis-atom-coordinates" { "source-value" [ [ 0.869899 0.839768 0 ] [ 0.869899 0.160232 0 ] [ 0.105942 0 0.883283 ] [ 0.105942 0 0.116717 ] [ 0.369899 0.339768 0.5 ] [ 0.369899 0.660232 0.5 ] [ 0.605942 0.5 0.383283 ] [ 0.605942 0.5 0.616717 ] [ 0.008415 0 0.5 ] [ 0.508415 0.5 0 ] [ 0.990902 0 0 ] [ 0.490902 0.5 0.5 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "I" "I" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.04781643 "source-unit" "angstrom" } "b" { "source-value" 5.2887052064 "source-unit" "angstrom" } "c" { "source-value" 7.30844963949 "source-unit" "angstrom" } }