{ "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 0.160938 0.5 ] [ 0 0.160938 0 ] [ 0.262123 0.846419 0.75 ] [ 0.737877 0.846419 0.25 ] [ 0.262123 0.153581 0.75 ] [ 0.737877 0.153581 0.25 ] [ 0 0.839062 0 ] [ 0 0.839062 0.5 ] [ 0.5 0.660938 0.5 ] [ 0.5 0.660938 0 ] [ 0.762123 0.346419 0.75 ] [ 0.237877 0.346419 0.25 ] [ 0.762123 0.653581 0.75 ] [ 0.237877 0.653581 0.25 ] [ 0.5 0.339062 0 ] [ 0.5 0.339062 0.5 ] [ 0.338229 0 0.25 ] [ 0.661771 0 0.75 ] [ 0.838229 0.5 0.25 ] [ 0.161771 0.5 0.75 ] [ 0.971021 0.302645 0.25 ] [ 0.028978 0.302645 0.75 ] [ 0.204551 0 0.003684 ] [ 0.204551 0 0.496316 ] [ 0.795449 0 0.996316 ] [ 0.795449 0 0.503684 ] [ 0.028978 0.697355 0.75 ] [ 0.971021 0.697355 0.25 ] [ 0.471022 0.802645 0.25 ] [ 0.528979 0.802645 0.75 ] [ 0.704551 0.5 0.003684 ] [ 0.704551 0.5 0.496316 ] [ 0.295449 0.5 0.996316 ] [ 0.295449 0.5 0.503684 ] [ 0.528979 0.197355 0.75 ] [ 0.471022 0.197355 0.25 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.26107228 "source-unit" "angstrom" } "b" { "source-value" 9.67868016 "source-unit" "angstrom" } "c" { "source-value" 7.82441144 "source-unit" "angstrom" } }