{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.011289 0.75 0.723096 ] [ 0.511289 0.25 0.776904 ] [ 0.988711 0.25 0.276904 ] [ 0.488711 0.75 0.223096 ] [ 0.563741 0.75 0.906824 ] [ 0.063741 0.25 0.593176 ] [ 0.436259 0.25 0.093176 ] [ 0.936259 0.75 0.406824 ] [ 0.218666 0.75 0.906059 ] [ 0.718665 0.25 0.593941 ] [ 0.781335 0.25 0.093941 ] [ 0.281334 0.75 0.406059 ] [ 0.7902 0.75 0.552495 ] [ 0.2902 0.25 0.947505 ] [ 0.2098 0.25 0.447505 ] [ 0.7098 0.75 0.052495 ] [ 0.716375 0.967048 0.830688 ] [ 0.216375 0.032952 0.669312 ] [ 0.283625 0.467048 0.169312 ] [ 0.783625 0.532952 0.330688 ] [ 0.283625 0.032952 0.169312 ] [ 0.783625 0.967048 0.330688 ] [ 0.716375 0.532952 0.830688 ] [ 0.216375 0.467048 0.669312 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "As" "As" "As" "As" "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" 4.95486017 "source-unit" "angstrom" } "b" { "source-value" 6.16488685 "source-unit" "angstrom" } "c" { "source-value" 10.7506913 "source-unit" "angstrom" } }