{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.747298 0.5 0.004335 ] [ 0.884617 0 0.628202 ] [ 0.252702 0.5 0.504335 ] [ 0.115383 0 0.128202 ] [ 0.240976 0 0.322571 ] [ 0.155406 0.251072 0.658903 ] [ 0.844594 0.251072 0.158903 ] [ 0.600898 0.5 0.537287 ] [ 0.399102 0.5 0.037287 ] [ 0.155406 0.748928 0.658903 ] [ 0.759024 0 0.822571 ] [ 0.844594 0.748928 0.158903 ] ] } "species" { "source-value" [ "Se" "Se" "Se" "Se" "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" 4.66273285 "source-unit" "angstrom" } "b" { "source-value" 5.21633521 "source-unit" "angstrom" } "c" { "source-value" 7.9359183 "source-unit" "angstrom" } }