{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.277895 0.017778 0.167313 ] [ 0.277895 0.017778 0.832687 ] [ 0.224229 0.953549 0.5 ] [ 0.722105 0.517778 0.332687 ] [ 0.775771 0.453549 0 ] [ 0.722105 0.517778 0.667313 ] [ 0.426591 0.811511 0.670776 ] [ 0.426591 0.811511 0.329224 ] [ 0.909459 0.690928 0.5 ] [ 0.573409 0.311511 0.170776 ] [ 0.573409 0.311511 0.829224 ] [ 0.090541 0.190928 0 ] [ 0.49816 0.781194 0 ] [ 0.977215 0.707875 0.159568 ] [ 0.977215 0.707875 0.840432 ] [ 0.50184 0.281194 0.5 ] [ 0.022785 0.207875 0.659568 ] [ 0.022785 0.207875 0.340432 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.62142018 "source-unit" "angstrom" } "b" { "source-value" 4.63328 "source-unit" "angstrom" } "c" { "source-value" 9.56206026 "source-unit" "angstrom" } }