{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.328518 0.25 ] [ 0 0.671482 0.75 ] [ 0.5 0.828518 0.25 ] [ 0.5 0.171482 0.75 ] [ 0 0.315446 0.75 ] [ 0 0.684554 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.815446 0.75 ] [ 0.5 0.184554 0.25 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.105051 0.796892 0.101439 ] [ 0.894949 0.796892 0.398561 ] [ 0.894949 0.203108 0.898561 ] [ 0.105051 0.203108 0.601439 ] [ 0.692602 0.941721 0.925187 ] [ 0.307398 0.941721 0.574813 ] [ 0 0.070104 0.25 ] [ 0 0.929896 0.75 ] [ 0.692602 0.058279 0.425187 ] [ 0.307398 0.058279 0.074813 ] [ 0.605051 0.296892 0.101439 ] [ 0.394949 0.296892 0.398561 ] [ 0.394949 0.703108 0.898561 ] [ 0.605051 0.703108 0.601439 ] [ 0.192602 0.441721 0.925187 ] [ 0.807398 0.441721 0.574813 ] [ 0.5 0.570104 0.25 ] [ 0.5 0.429896 0.75 ] [ 0.192602 0.558279 0.425187 ] [ 0.807398 0.558279 0.074813 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "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" 6.66927100635 "source-unit" "angstrom" } "b" { "source-value" 8.90189865481 "source-unit" "angstrom" } "c" { "source-value" 6.98504291353 "source-unit" "angstrom" } "beta" { "source-value" 113.571916342 "source-unit" "degree" } }