{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.255579 0.75 0.897128 ] [ 0.744421 0.25 0.102872 ] [ 0.244421 0.75 0.397128 ] [ 0.755579 0.25 0.602872 ] [ 0.708853 0.25 0.320544 ] [ 0.791147 0.25 0.820544 ] [ 0.291147 0.75 0.679456 ] [ 0.208853 0.75 0.179456 ] [ 0.747453 0.75 0.512163 ] [ 0.752547 0.75 0.012163 ] [ 0.252547 0.25 0.487837 ] [ 0.247453 0.25 0.987837 ] [ 0.254841 0.019619 0.633757 ] [ 0.754841 0.519619 0.866243 ] [ 0.753847 0.25 0.728629 ] [ 0.754841 0.980381 0.866243 ] [ 0.265356 0.25 0.825227 ] [ 0.245159 0.480381 0.133757 ] [ 0.746153 0.25 0.228629 ] [ 0.246153 0.75 0.271371 ] [ 0.253847 0.75 0.771371 ] [ 0.254841 0.480381 0.633757 ] [ 0.234644 0.25 0.325227 ] [ 0.765356 0.75 0.674773 ] [ 0.734644 0.75 0.174773 ] [ 0.745159 0.980381 0.366243 ] [ 0.245159 0.019619 0.133757 ] [ 0.745159 0.519619 0.366243 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "W" "W" "W" "W" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.93963192 "source-unit" "angstrom" } "b" { "source-value" 6.05769141 "source-unit" "angstrom" } "c" { "source-value" 19.54150141 "source-unit" "angstrom" } }