{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pb2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.792886 0.653683 ] [ 0.5 0.207114 0.153683 ] [ 0 0.707154 0.362393 ] [ 0 0.292846 0.862393 ] [ 0.5 0.151717 0.432364 ] [ 0.5 0.848283 0.932364 ] [ 0 0.349907 0.59443 ] [ 0 0.650093 0.09443 ] [ 0.5 0.46565 0.305673 ] [ 0.5 0.53435 0.805673 ] [ 0 0.040226 0.707774 ] [ 0 0.959774 0.207774 ] [ 0.5 0.945369 0.455042 ] [ 0.5 0.054631 0.955042 ] [ 0 0.550916 0.562041 ] [ 0 0.449084 0.062041 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "H" "H" "H" "H" "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" 3.15276651 "source-unit" "angstrom" } "b" { "source-value" 4.64864318 "source-unit" "angstrom" } "c" { "source-value" 10.07522045 "source-unit" "angstrom" } }