{ "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 0.905972 0.25 ] [ 0 0.094028 0.75 ] [ 0.5 0.405972 0.25 ] [ 0.5 0.594028 0.75 ] [ 0.880758 0.640235 0.896365 ] [ 0.880758 0.359765 0.396365 ] [ 0.119242 0.359765 0.103635 ] [ 0.119242 0.640235 0.603635 ] [ 0.380758 0.140235 0.896365 ] [ 0.380758 0.859765 0.396365 ] [ 0.619242 0.859765 0.103635 ] [ 0.619242 0.140235 0.603635 ] [ 0.700812 0.051423 0.174354 ] [ 0.299188 0.051423 0.325646 ] [ 0.299188 0.948577 0.825646 ] [ 0.700812 0.948577 0.674354 ] [ 0.200812 0.551423 0.174354 ] [ 0.799188 0.551423 0.325646 ] [ 0.799188 0.448577 0.825646 ] [ 0.200812 0.448577 0.674354 ] [ 0.939327 0.783168 0.94683 ] [ 0.939327 0.216832 0.44683 ] [ 0.060673 0.783168 0.55317 ] [ 0.060673 0.216832 0.05317 ] [ 0.439327 0.283168 0.94683 ] [ 0.439327 0.716832 0.44683 ] [ 0.560673 0.283168 0.55317 ] [ 0.560673 0.716832 0.05317 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "C" "C" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.3144430803 "source-unit" "angstrom" } "b" { "source-value" 6.60752147867 "source-unit" "angstrom" } "c" { "source-value" 8.23792553238 "source-unit" "angstrom" } "beta" { "source-value" 91.0651905838 "source-unit" "degree" } }