{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.823547 0.371656 ] [ 0.25 0.176453 0.628344 ] [ 0.75 0.323547 0.128344 ] [ 0.25 0.676453 0.871656 ] [ 0.25 0.663923 0.505346 ] [ 0.75 0.336077 0.494654 ] [ 0.25 0.163923 0.994654 ] [ 0.75 0.836077 0.005346 ] [ 0.25 0.544007 0.405018 ] [ 0.75 0.455993 0.594982 ] [ 0.25 0.044007 0.094982 ] [ 0.75 0.955993 0.905018 ] [ 0.25 0.713727 0.318588 ] [ 0.75 0.286273 0.681412 ] [ 0.25 0.213727 0.181412 ] [ 0.75 0.786273 0.818588 ] [ 0.75 0.406424 0.374546 ] [ 0.25 0.593576 0.625454 ] [ 0.75 0.906424 0.125454 ] [ 0.25 0.093576 0.874546 ] [ 0.75 0.813609 0.497039 ] [ 0.25 0.186391 0.502961 ] [ 0.75 0.313609 0.002961 ] [ 0.25 0.686391 0.997039 ] [ 0.75 0.029844 0.335513 ] [ 0.25 0.970156 0.664487 ] [ 0.75 0.529844 0.164487 ] [ 0.25 0.470156 0.835513 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.1531848 "source-unit" "angstrom" } "b" { "source-value" 11.6702518 "source-unit" "angstrom" } "c" { "source-value" 21.30771337 "source-unit" "angstrom" } }