{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.239677 0.75 0.07895 ] [ 0.750822 0.989098 0.270498 ] [ 0.750822 0.510902 0.270498 ] [ 0.249178 0.489098 0.729502 ] [ 0.249178 0.010902 0.729502 ] [ 0.760323 0.25 0.92105 ] [ 0.241343 0.25 0.358718 ] [ 0.758657 0.75 0.641282 ] [ 0.296246 0.75 0.424868 ] [ 0.703754 0.25 0.575132 ] [ 0.269069 0.25 0.080767 ] [ 0.730931 0.75 0.919233 ] [ 0.760039 0.75 0.048419 ] [ 0.086556 0.25 0.158479 ] [ 0.476235 0.25 0.137127 ] [ 0.247012 0.93543 0.333692 ] [ 0.247012 0.56457 0.333692 ] [ 0.562691 0.75 0.464971 ] [ 0.857144 0.25 0.450959 ] [ 0.142856 0.75 0.549041 ] [ 0.437309 0.25 0.535029 ] [ 0.752988 0.43543 0.666308 ] [ 0.752988 0.06457 0.666308 ] [ 0.523765 0.75 0.862873 ] [ 0.913444 0.75 0.841521 ] [ 0.239961 0.25 0.951581 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Cr" "Cr" "P" "P" "C" "C" "O" "O" "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" 5.73052312 "source-unit" "angstrom" } "b" { "source-value" 6.77300386 "source-unit" "angstrom" } "c" { "source-value" 9.95256528 "source-unit" "angstrom" } "beta" { "source-value" 91.54688231 "source-unit" "degree" } }