{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.007474 0.677959 0.246404 ] [ 0.507474 0.322041 0.253596 ] [ 0.507474 0.322041 0.746404 ] [ 0.007474 0.677959 0.753596 ] [ 0.998294 0.17812 0 ] [ 0.498294 0.82188 0.5 ] [ 0.08411 0.878894 0 ] [ 0.671406 0.203899 0 ] [ 0.11567 0.321669 0.203248 ] [ 0.61567 0.678331 0.296752 ] [ 0.171406 0.796101 0.5 ] [ 0.58411 0.121106 0.5 ] [ 0.61567 0.678331 0.703248 ] [ 0.11567 0.321669 0.796752 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "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" 5.06824977 "source-unit" "angstrom" } "b" { "source-value" 5.36152769 "source-unit" "angstrom" } "c" { "source-value" 6.65923319 "source-unit" "angstrom" } }