{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.551905 0.25 0.137819 ] [ 0.051905 0.75 0.362181 ] [ 0.948095 0.25 0.637819 ] [ 0.448095 0.75 0.862181 ] [ 0.536999 0.75 0.188354 ] [ 0.036999 0.25 0.311646 ] [ 0.963001 0.75 0.688354 ] [ 0.463001 0.25 0.811646 ] [ 0.236515 0.75 0.159616 ] [ 0.659964 0.94283 0.114089 ] [ 0.659964 0.55717 0.114089 ] [ 0.097609 0.25 0.146642 ] [ 0.597609 0.75 0.353358 ] [ 0.159964 0.05717 0.385911 ] [ 0.159964 0.44283 0.385911 ] [ 0.736515 0.25 0.340384 ] [ 0.263485 0.75 0.659616 ] [ 0.840036 0.94283 0.614089 ] [ 0.840036 0.55717 0.614089 ] [ 0.402391 0.25 0.646642 ] [ 0.902391 0.75 0.853358 ] [ 0.340036 0.44283 0.885911 ] [ 0.340036 0.05717 0.885911 ] [ 0.763485 0.25 0.840384 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "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" 5.11325262 "source-unit" "angstrom" } "b" { "source-value" 6.4428459 "source-unit" "angstrom" } "c" { "source-value" 9.24846783 "source-unit" "angstrom" } }