{ "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 0.827936 0.75 ] [ 0 0.172064 0.25 ] [ 0.5 0.327936 0.75 ] [ 0.5 0.672064 0.25 ] [ 0.5 0.078521 0.25 ] [ 0.5 0.921479 0.75 ] [ 0.5 0.792723 0.25 ] [ 0.5 0.207277 0.75 ] [ 0 0.078543 0.75 ] [ 0 0.921457 0.25 ] [ 0 0.578521 0.25 ] [ 0 0.421479 0.75 ] [ 0 0.292723 0.25 ] [ 0 0.707277 0.75 ] [ 0.5 0.578543 0.75 ] [ 0.5 0.421457 0.25 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "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" 4.39042685 "source-unit" "angstrom" } "b" { "source-value" 27.5224111 "source-unit" "angstrom" } "c" { "source-value" 4.39527771 "source-unit" "angstrom" } }