{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.688003 0.061445 0.62187 ] [ 0.311997 0.061445 0.62187 ] [ 0.811997 0.061445 0.87813 ] [ 0.188003 0.061445 0.87813 ] [ 0.5 0.25 0.443313 ] [ 0.5 0.25 0.8243 ] [ 0 0.25 0.056687 ] [ 0 0.25 0.6757 ] [ 0.688003 0.438555 0.62187 ] [ 0.188003 0.438555 0.87813 ] [ 0.811997 0.438555 0.87813 ] [ 0.311997 0.438555 0.62187 ] [ 0.188003 0.561445 0.12187 ] [ 0.811997 0.561445 0.12187 ] [ 0.311997 0.561445 0.37813 ] [ 0.688003 0.561445 0.37813 ] [ 0 0.75 0.943313 ] [ 0 0.75 0.3243 ] [ 0.5 0.75 0.556687 ] [ 0.5 0.75 0.1757 ] [ 0.188003 0.938555 0.12187 ] [ 0.688003 0.938555 0.37813 ] [ 0.311997 0.938555 0.37813 ] [ 0.811997 0.938555 0.12187 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ta" "Ta" "Ta" "Ta" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.34087698 "source-unit" "angstrom" } "b" { "source-value" 7.41920252 "source-unit" "angstrom" } "c" { "source-value" 10.42126226 "source-unit" "angstrom" } }