{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.66057 0.66057 0.383802 ] [ 0.33943 0.33943 0.383802 ] [ 0.33943 0.33943 0.616198 ] [ 0.16057 0.83943 0.116198 ] [ 0.83943 0.16057 0.116198 ] [ 0.83943 0.16057 0.883802 ] [ 0.66057 0.66057 0.616198 ] [ 0.16057 0.83943 0.883802 ] [ 0.283393 0.283393 0 ] [ 0.716607 0.716607 0 ] [ 0.783393 0.216607 0.5 ] [ 0.216607 0.783393 0.5 ] [ 0.251049 0.748951 0.186105 ] [ 0.751049 0.751049 0.313895 ] [ 0.748951 0.251049 0.186105 ] [ 0.748951 0.251049 0.813895 ] [ 0.248951 0.248951 0.686105 ] [ 0.248951 0.248951 0.313895 ] [ 0.751049 0.751049 0.686105 ] [ 0.251049 0.748951 0.813895 ] ] } "species" { "source-value" [ "Os" "Os" "C" "C" "C" "C" "C" "C" "C" "C" "Cl" "Cl" "Cl" "Cl" "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" 6.08941724 "source-unit" "angstrom" } "c" { "source-value" 12.07405319 "source-unit" "angstrom" } }