{ "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" [ [ 0.094638 0.328072 0.178658 ] [ 0.844019 0.868643 0.368585 ] [ 0.655981 0.368643 0.631415 ] [ 0.155981 0.131357 0.631415 ] [ 0.594638 0.171928 0.178658 ] [ 0.905362 0.671928 0.821342 ] [ 0.344019 0.631357 0.368585 ] [ 0.405362 0.828072 0.821342 ] [ 0.70676 0.503538 0.191648 ] [ 0.79324 0.003538 0.808352 ] [ 0.29324 0.496462 0.808352 ] [ 0.20676 0.996462 0.191648 ] [ 0.360883 0.114477 0.392461 ] [ 0.964574 0.575425 0.171335 ] [ 0.535426 0.075425 0.828665 ] [ 0.035426 0.424575 0.828665 ] [ 0.958882 0.093602 0.246745 ] [ 0.541118 0.593602 0.753255 ] [ 0.041118 0.906398 0.753255 ] [ 0.458882 0.406398 0.246745 ] [ 0.21312 0.151127 0.997399 ] [ 0.28688 0.651127 0.002601 ] [ 0.78688 0.848873 0.002601 ] [ 0.71312 0.348873 0.997399 ] [ 0.209135 0.860942 0.412998 ] [ 0.860883 0.385523 0.392461 ] [ 0.790865 0.139058 0.587002 ] [ 0.709135 0.639058 0.412998 ] [ 0.290865 0.360942 0.587002 ] [ 0.139117 0.614477 0.607539 ] [ 0.639117 0.885523 0.607539 ] [ 0.464574 0.924575 0.171335 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Sb" "Sb" "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.07470589216 "source-unit" "angstrom" } "b" { "source-value" 12.76840606 "source-unit" "angstrom" } "c" { "source-value" 9.09560979131 "source-unit" "angstrom" } "beta" { "source-value" 109.139528937 "source-unit" "degree" } }