{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.156522 0.5 ] [ 0 0.156522 0 ] [ 0.73853 0.858606 0.25 ] [ 0.26147 0.858606 0.75 ] [ 0.73853 0.141394 0.25 ] [ 0.26147 0.141394 0.75 ] [ 0 0.843478 0 ] [ 0 0.843478 0.5 ] [ 0.5 0.656522 0.5 ] [ 0.5 0.656522 0 ] [ 0.23853 0.358606 0.25 ] [ 0.76147 0.358606 0.75 ] [ 0.23853 0.641394 0.25 ] [ 0.76147 0.641394 0.75 ] [ 0.5 0.343478 0 ] [ 0.5 0.343478 0.5 ] [ 0.34555 0 0.25 ] [ 0.65445 0 0.75 ] [ 0.84555 0.5 0.25 ] [ 0.15445 0.5 0.75 ] [ 0.979782 0.294198 0.25 ] [ 0.020218 0.294198 0.75 ] [ 0.202175 0 0.508083 ] [ 0.202175 0 0.991917 ] [ 0.797825 0 0.491917 ] [ 0.797825 0 0.008083 ] [ 0.020218 0.705802 0.75 ] [ 0.979782 0.705802 0.25 ] [ 0.479782 0.794198 0.25 ] [ 0.520218 0.794198 0.75 ] [ 0.702175 0.5 0.508083 ] [ 0.702175 0.5 0.991917 ] [ 0.297825 0.5 0.491917 ] [ 0.297825 0.5 0.008083 ] [ 0.520218 0.205802 0.75 ] [ 0.479782 0.205802 0.25 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Hf" "Hf" "Hf" "Hf" "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" 7.49456534 "source-unit" "angstrom" } "b" { "source-value" 8.24445022 "source-unit" "angstrom" } "c" { "source-value" 6.39634569 "source-unit" "angstrom" } }