{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.852147 0.5 0.553608 ] [ 0.147853 0.5 0.446392 ] [ 0.782456 0 0.833626 ] [ 0.217544 0 0.166374 ] [ 0.06675 0.5 0.703037 ] [ 0.93325 0.5 0.296963 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.352147 0 0.553608 ] [ 0.647853 0 0.446392 ] [ 0.282456 0.5 0.833626 ] [ 0.717544 0.5 0.166374 ] [ 0.56675 0 0.703037 ] [ 0.43325 0 0.296963 ] [ 0.5 0.5 0.5 ] [ 0.937999 0 0.728933 ] [ 0.062001 0 0.271067 ] [ 0.139775 0.5 0.980054 ] [ 0.860225 0.5 0.019946 ] [ 0.189117 0 0.649847 ] [ 0.810883 0 0.350153 ] [ 0.437999 0.5 0.728933 ] [ 0.562001 0.5 0.271067 ] [ 0.639775 0 0.980054 ] [ 0.360225 0 0.019946 ] [ 0.689117 0.5 0.649847 ] [ 0.310883 0.5 0.350153 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.0223035202 "source-unit" "angstrom" } "b" { "source-value" 3.56578838 "source-unit" "angstrom" } "c" { "source-value" 9.32590760839 "source-unit" "angstrom" } "beta" { "source-value" 103.634972956 "source-unit" "degree" } }