{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pncm" } "basis-atom-coordinates" { "source-value" [ [ 0.300637 0.75 0.25 ] [ 0.300637 0.75 0.75 ] [ 0.699363 0.25 0.25 ] [ 0.699363 0.25 0.75 ] [ 0.372979 0.717869 0 ] [ 0.63091 0.858865 0.127067 ] [ 0.372979 0.782131 0.5 ] [ 0.36909 0.141135 0.872933 ] [ 0.627021 0.217869 0.5 ] [ 0.63091 0.641135 0.372933 ] [ 0.36909 0.358865 0.372933 ] [ 0.627021 0.282131 0 ] [ 0.36909 0.141135 0.127067 ] [ 0.63091 0.858865 0.872933 ] [ 0.36909 0.358865 0.627067 ] [ 0.63091 0.641135 0.627067 ] [ 0 0 0.67798 ] [ 0 0.5 0.82202 ] [ 0 0.5 0.17798 ] [ 0 0 0.32202 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "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" 5.14774496 "source-unit" "angstrom" } "b" { "source-value" 8.80615465 "source-unit" "angstrom" } "c" { "source-value" 16.46904544 "source-unit" "angstrom" } }