{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.169483 0.75 ] [ 0 0.830517 0.25 ] [ 0.5 0.669483 0.75 ] [ 0.5 0.330517 0.25 ] [ 0 0.927461 0.75 ] [ 0 0.072539 0.25 ] [ 0.5 0.072586 0.75 ] [ 0.5 0.927414 0.25 ] [ 0.5 0.793915 0.75 ] [ 0.5 0.206085 0.25 ] [ 0.5 0.427461 0.75 ] [ 0.5 0.572539 0.25 ] [ 0 0.572586 0.75 ] [ 0 0.427414 0.25 ] [ 0 0.293915 0.75 ] [ 0 0.706085 0.25 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Te" "Te" "Te" "Te" "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" 4.33099787 "source-unit" "angstrom" } "b" { "source-value" 25.96781734 "source-unit" "angstrom" } "c" { "source-value" 4.33525041 "source-unit" "angstrom" } }