{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.844377 0.76714 0.42894 ] [ 0.155623 0.26714 0.07106 ] [ 0.344377 0.76714 0.07106 ] [ 0.655623 0.23286 0.92894 ] [ 0.844377 0.73286 0.92894 ] [ 0.155623 0.23286 0.57106 ] [ 0.655623 0.26714 0.42894 ] [ 0.344377 0.73286 0.57106 ] [ 0.617017 0.004287 0.673825 ] [ 0.882983 0.995713 0.173825 ] [ 0.117017 0.004287 0.826175 ] [ 0.382983 0.504287 0.826175 ] [ 0.617017 0.495713 0.173825 ] [ 0.882983 0.504287 0.673825 ] [ 0.382983 0.995713 0.326175 ] [ 0.117017 0.495713 0.326175 ] [ 0.502598 0.611475 0.388934 ] [ 0.497402 0.111475 0.111066 ] [ 0.997402 0.388525 0.888934 ] [ 0.502598 0.888525 0.888934 ] [ 0.997402 0.111475 0.388934 ] [ 0.497402 0.388525 0.611066 ] [ 0.002598 0.611475 0.111066 ] [ 0.002598 0.888525 0.611066 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.43667526 "source-unit" "angstrom" } "b" { "source-value" 6.48034443 "source-unit" "angstrom" } "c" { "source-value" 11.65967527 "source-unit" "angstrom" } }