{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.304507 0.980402 ] [ 0 0.695493 0.480402 ] [ 0.219451 0.962992 0.48631 ] [ 0.780549 0.037008 0.98631 ] [ 0.780549 0.962992 0.48631 ] [ 0.219451 0.037008 0.98631 ] [ 0.5 0.804507 0.980402 ] [ 0.5 0.195493 0.480402 ] [ 0.719451 0.462992 0.48631 ] [ 0.280549 0.537008 0.98631 ] [ 0.280549 0.462992 0.48631 ] [ 0.719451 0.537008 0.98631 ] [ 0 0.241908 0.481864 ] [ 0 0.758092 0.981864 ] [ 0.5 0.741908 0.481864 ] [ 0.5 0.258092 0.981864 ] [ 0 0.574749 0.844244 ] [ 0 0.425251 0.344244 ] [ 0 0.907574 0.773456 ] [ 0 0.092426 0.273456 ] [ 0.177409 0.774723 0.154807 ] [ 0.822591 0.225277 0.654807 ] [ 0.822591 0.774723 0.154807 ] [ 0.177409 0.225277 0.654807 ] [ 0.5 0.074749 0.844244 ] [ 0.5 0.925251 0.344244 ] [ 0.5 0.407574 0.773456 ] [ 0.5 0.592426 0.273456 ] [ 0.677409 0.274723 0.154807 ] [ 0.322591 0.725277 0.654807 ] [ 0.322591 0.274723 0.154807 ] [ 0.677409 0.725277 0.654807 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.90015607 "source-unit" "angstrom" } "b" { "source-value" 11.55312864 "source-unit" "angstrom" } "c" { "source-value" 7.82567041 "source-unit" "angstrom" } }