{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.466544 0.918572 0.256679 ] [ 0.033456 0.418572 0.243321 ] [ 0.533456 0.081428 0.743321 ] [ 0.966544 0.581428 0.756679 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.144004 0.931349 0.720624 ] [ 0.139259 0.736861 0.415013 ] [ 0.215965 0.6577 0.050344 ] [ 0.284035 0.1577 0.449656 ] [ 0.360741 0.236861 0.084987 ] [ 0.355996 0.431349 0.779376 ] [ 0.855996 0.068651 0.279376 ] [ 0.860741 0.263139 0.584987 ] [ 0.784035 0.3423 0.949656 ] [ 0.644004 0.568651 0.220624 ] [ 0.639259 0.763139 0.915013 ] [ 0.715965 0.8423 0.550344 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Mo" "Mo" "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" 5.65506273468 "source-unit" "angstrom" } "b" { "source-value" 6.18973665 "source-unit" "angstrom" } "c" { "source-value" 8.05063309503 "source-unit" "angstrom" } "beta" { "source-value" 94.8676128197 "source-unit" "degree" } }