{ "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 0.180417 0.75 ] [ 0 0.819583 0.25 ] [ 0.5 0.680417 0.75 ] [ 0.5 0.319583 0.25 ] [ 0.5 0.079484 0.75 ] [ 0.5 0.920516 0.25 ] [ 0 0.079505 0.25 ] [ 0 0.920495 0.75 ] [ 0 0.579484 0.75 ] [ 0 0.420516 0.25 ] [ 0.5 0.579505 0.25 ] [ 0.5 0.420495 0.75 ] [ 0.5 0.20511 0.25 ] [ 0.5 0.79489 0.75 ] [ 0 0.70511 0.25 ] [ 0 0.29489 0.75 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.33274159617 "source-unit" "angstrom" } "b" { "source-value" 26.7232085722 "source-unit" "angstrom" } "c" { "source-value" 4.34631585 "source-unit" "angstrom" } }