{ "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" [ [ 0.249859 0.75 0.087556 ] [ 0.750805 0.995578 0.291619 ] [ 0.750805 0.504422 0.291619 ] [ 0.249195 0.495578 0.708381 ] [ 0.249195 0.004422 0.708381 ] [ 0.750141 0.25 0.912444 ] [ 0.211149 0.25 0.37851 ] [ 0.788851 0.75 0.62149 ] [ 0.269298 0.75 0.436899 ] [ 0.730702 0.25 0.563101 ] [ 0.307278 0.25 0.108876 ] [ 0.692722 0.75 0.891124 ] [ 0.769436 0.75 0.02675 ] [ 0.133989 0.25 0.208614 ] [ 0.542936 0.25 0.151878 ] [ 0.255519 0.90316 0.345459 ] [ 0.255519 0.59684 0.345459 ] [ 0.525248 0.75 0.535895 ] [ 0.960056 0.25 0.460967 ] [ 0.039944 0.75 0.539033 ] [ 0.474752 0.25 0.464105 ] [ 0.744481 0.40316 0.654541 ] [ 0.744481 0.09684 0.654541 ] [ 0.457064 0.75 0.848122 ] [ 0.866011 0.75 0.791386 ] [ 0.230564 0.25 0.97325 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Be" "Be" "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" 5.25007247 "source-unit" "angstrom" } "b" { "source-value" 8.36307681 "source-unit" "angstrom" } "c" { "source-value" 9.26091195 "source-unit" "angstrom" } "beta" { "source-value" 93.8755036 "source-unit" "degree" } }