{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.645986 0 0.334519 ] [ 0.334415 0 0.648363 ] [ 0.145986 0.5 0.334519 ] [ 0.834415 0.5 0.648363 ] [ 0.025275 0 0.999912 ] [ 0.525275 0.5 0.999912 ] [ 0.326685 0 0.417213 ] [ 0.360415 0 0.127473 ] [ 0.002975 0 0.258237 ] [ 0.006486 0 0.735757 ] [ 0.665526 0 0.571839 ] [ 0.689627 0 0.013634 ] [ 0.350269 0 0.876434 ] [ 0.826685 0.5 0.417213 ] [ 0.860415 0.5 0.127473 ] [ 0.502975 0.5 0.258237 ] [ 0.506486 0.5 0.735757 ] [ 0.165526 0.5 0.571839 ] [ 0.189627 0.5 0.013634 ] [ 0.850269 0.5 0.876434 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "La" "La" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.87973028 "source-unit" "angstrom" } "b" { "source-value" 4.08617227 "source-unit" "angstrom" } "c" { "source-value" 9.88750712 "source-unit" "angstrom" } "beta" { "source-value" 90.98684547 "source-unit" "degree" } }