{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.898758 0.641884 0.061848 ] [ 0.398758 0.858116 0.061848 ] [ 0.948974 0.854829 0.230549 ] [ 0.448974 0.645171 0.230549 ] [ 0.948974 0.354829 0.269451 ] [ 0.448974 0.145171 0.269451 ] [ 0.398758 0.358116 0.438152 ] [ 0.898758 0.141884 0.438152 ] [ 0.101242 0.858116 0.561848 ] [ 0.601242 0.641884 0.561848 ] [ 0.551026 0.854829 0.730549 ] [ 0.051026 0.645171 0.730549 ] [ 0.551026 0.354829 0.769451 ] [ 0.051026 0.145171 0.769451 ] [ 0.101242 0.358116 0.938152 ] [ 0.601242 0.141884 0.938152 ] [ 0.389409 0.379068 0.119874 ] [ 0.889409 0.120932 0.119874 ] [ 0.389409 0.879068 0.380126 ] [ 0.889409 0.620932 0.380126 ] [ 0.110591 0.379068 0.619874 ] [ 0.610591 0.120932 0.619874 ] [ 0.110591 0.879068 0.880126 ] [ 0.610591 0.620932 0.880126 ] [ 0.919294 0.215526 0.022254 ] [ 0.419294 0.284474 0.022254 ] [ 0.122906 0.458493 0.072347 ] [ 0.622906 0.041507 0.072347 ] [ 0.094216 0.988794 0.106868 ] [ 0.594216 0.511206 0.106868 ] [ 0.675632 0.769962 0.146549 ] [ 0.175632 0.730038 0.146549 ] [ 0.658757 0.268878 0.170711 ] [ 0.158757 0.231122 0.170711 ] [ 0.816547 0.059291 0.230978 ] [ 0.316547 0.440709 0.230978 ] [ 0.316547 0.940709 0.269022 ] [ 0.816547 0.559291 0.269022 ] [ 0.658757 0.768878 0.329289 ] [ 0.158757 0.731122 0.329289 ] [ 0.675632 0.269962 0.353451 ] [ 0.175632 0.230038 0.353451 ] [ 0.094216 0.488794 0.393132 ] [ 0.594216 0.011206 0.393132 ] [ 0.122906 0.958493 0.427653 ] [ 0.622906 0.541507 0.427653 ] [ 0.419294 0.784474 0.477745 ] [ 0.919294 0.715526 0.477745 ] [ 0.080706 0.284474 0.522254 ] [ 0.580706 0.215526 0.522254 ] [ 0.377094 0.458493 0.572347 ] [ 0.877094 0.041507 0.572347 ] [ 0.405784 0.988794 0.606868 ] [ 0.905784 0.511206 0.606868 ] [ 0.824368 0.769962 0.646549 ] [ 0.324368 0.730038 0.646549 ] [ 0.841243 0.268878 0.670711 ] [ 0.341243 0.231122 0.670711 ] [ 0.183453 0.440709 0.730978 ] [ 0.683453 0.059291 0.730978 ] [ 0.183453 0.940709 0.769022 ] [ 0.683453 0.559291 0.769022 ] [ 0.841243 0.768878 0.829289 ] [ 0.341243 0.731122 0.829289 ] [ 0.824368 0.269962 0.853451 ] [ 0.324368 0.230038 0.853451 ] [ 0.405784 0.488794 0.893132 ] [ 0.905784 0.011206 0.893132 ] [ 0.377094 0.958493 0.927653 ] [ 0.877094 0.541507 0.927653 ] [ 0.080706 0.784474 0.977746 ] [ 0.580706 0.715526 0.977746 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "W" "W" "W" "W" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.63301184 "source-unit" "angstrom" } "b" { "source-value" 10.67103985 "source-unit" "angstrom" } "c" { "source-value" 16.21430524 "source-unit" "angstrom" } }