{ "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" [ [ 0.876071 0.5 0.620411 ] [ 0 0 0 ] [ 0.123929 0.5 0.379589 ] [ 0.376071 0 0.620411 ] [ 0.5 0.5 0 ] [ 0.623929 0 0.379589 ] [ 0.821484 0.5 0.213985 ] [ 0.178516 0.5 0.786015 ] [ 0.321484 0 0.213985 ] [ 0.678516 0 0.786015 ] [ 0.239554 0.5 0.085342 ] [ 0.085249 0 0.639225 ] [ 0.914751 0 0.360775 ] [ 0.760446 0.5 0.914658 ] [ 0.739554 0 0.085342 ] [ 0.585249 0.5 0.639225 ] [ 0.414751 0.5 0.360775 ] [ 0.260446 0 0.914658 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "Ga" "Ga" "Ga" "Ga" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.228666692 "source-unit" "angstrom" } "b" { "source-value" 4.23335172 "source-unit" "angstrom" } "c" { "source-value" 8.33133401704 "source-unit" "angstrom" } "beta" { "source-value" 98.814557051 "source-unit" "degree" } }