{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnca" } "basis-atom-coordinates" { "source-value" [ [ 0.481892 0.889554 0.72519 ] [ 0.518108 0.110446 0.27481 ] [ 0.981892 0.110446 0.72519 ] [ 0.981892 0.610446 0.77481 ] [ 0.018108 0.889554 0.27481 ] [ 0.518108 0.610446 0.22519 ] [ 0.481892 0.389554 0.77481 ] [ 0.018108 0.389554 0.22519 ] [ 0.518321 0.344897 0.361924 ] [ 0.981679 0.344897 0.638076 ] [ 0.481679 0.155103 0.861924 ] [ 0.018321 0.155103 0.138076 ] [ 0.481679 0.655103 0.638076 ] [ 0.018321 0.655103 0.361924 ] [ 0.981679 0.844897 0.861924 ] [ 0.518321 0.844897 0.138076 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.08965695 "source-unit" "angstrom" } "b" { "source-value" 11.14210216 "source-unit" "angstrom" } "c" { "source-value" 13.27400514 "source-unit" "angstrom" } }