{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.734547 0.249514 0.2454 ] [ 0.265453 0.750486 0.7546 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.26303 0.724046 0.993806 ] [ 0.73697 0.275954 0.006194 ] [ 0.437962 0.258565 0.363217 ] [ 0.562038 0.741435 0.636783 ] [ 0.058461 0.000743 0.724283 ] [ 0.941539 0.999257 0.275717 ] [ 0.175993 0.535723 0.664115 ] [ 0.824007 0.464277 0.335885 ] ] } "species" { "source-value" [ "P" "P" "Au" "Au" "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" 6.40575573868 "source-unit" "angstrom" } "b" { "source-value" 7.4216888754 "source-unit" "angstrom" } "c" { "source-value" 8.65910817744 "source-unit" "angstrom" } "alpha" { "source-value" 83.0821624335 "source-unit" "degree" } "beta" { "source-value" 84.0494422578 "source-unit" "degree" } "gamma" { "source-value" 78.4237540212 "source-unit" "degree" } }