{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.905072 0 ] [ 0.5 0.62752 0 ] [ 0 0.405072 0.5 ] [ 0.5 0.12752 0.5 ] [ 0.5 0.034179 0.219671 ] [ 0.5 0.034179 0.780329 ] [ 0.5 0.534179 0.719671 ] [ 0.5 0.534179 0.280329 ] [ 0 0.154388 0.296138 ] [ 0 0.154388 0.703862 ] [ 0.5 0.240428 0 ] [ 0 0.654388 0.796138 ] [ 0 0.654388 0.203862 ] [ 0.5 0.740428 0.5 ] [ 0 0.065765 0.183093 ] [ 0 0.065765 0.816907 ] [ 0.230487 0.698068 0.853412 ] [ 0.230487 0.698068 0.146588 ] [ 0.5 0.326606 0.88658 ] [ 0.5 0.049318 0 ] [ 0.5 0.326606 0.11342 ] [ 0.769513 0.698068 0.853412 ] [ 0.769513 0.698068 0.146588 ] [ 0 0.565765 0.683093 ] [ 0 0.565765 0.316907 ] [ 0.230487 0.198068 0.353412 ] [ 0.230487 0.198068 0.646588 ] [ 0.5 0.826606 0.38658 ] [ 0.5 0.549318 0.5 ] [ 0.5 0.826606 0.61342 ] [ 0.769513 0.198068 0.353412 ] [ 0.769513 0.198068 0.646588 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "C" "C" "C" "C" "C" "C" "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" 4.891038 "source-unit" "angstrom" } "b" { "source-value" 6.95523914 "source-unit" "angstrom" } "c" { "source-value" 9.9824711 "source-unit" "angstrom" } }