{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1a" } "basis-atom-coordinates" { "source-value" [ [ 0.571501 0.226205 0.31035 ] [ 0.071501 0.273795 0.81035 ] [ 0.928499 0.726205 0.31035 ] [ 0.428499 0.773795 0.81035 ] [ 0.89394 0.219841 0.66685 ] [ 0.331124 0.081107 0.80475 ] [ 0.413283 0.273158 0.463198 ] [ 0.913283 0.226842 0.963198 ] [ 0.831124 0.418893 0.30475 ] [ 0.39394 0.280159 0.16685 ] [ 0.60606 0.719841 0.66685 ] [ 0.168876 0.581107 0.80475 ] [ 0.086717 0.773158 0.463198 ] [ 0.586717 0.726842 0.963198 ] [ 0.668876 0.918893 0.30475 ] [ 0.10606 0.780159 0.16685 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "O" "O" "O" "O" "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" 5.33827061 "source-unit" "angstrom" } "b" { "source-value" 5.5608706 "source-unit" "angstrom" } "c" { "source-value" 8.66651359 "source-unit" "angstrom" } }