{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.231773 0.258952 ] [ 0 0.768227 0.741048 ] [ 0.5 0.731773 0.241048 ] [ 0.5 0.268227 0.758952 ] [ 0.745082 0 0.5 ] [ 0.754918 0.5 0 ] [ 0.254918 0 0.5 ] [ 0.245082 0.5 0 ] [ 0.752642 0.481978 0.353481 ] [ 0.752642 0.518023 0.646519 ] [ 0.747358 0.981977 0.146519 ] [ 0.747358 0.018022 0.853481 ] [ 0.247358 0.518023 0.646519 ] [ 0.247358 0.481978 0.353481 ] [ 0.252642 0.018022 0.853481 ] [ 0.252642 0.981977 0.146519 ] [ 0 0.234279 0.919005 ] [ 0 0.765721 0.080995 ] [ 0.5 0.734279 0.580995 ] [ 0.5 0.265721 0.419005 ] [ 0.5 0.775652 0.872087 ] [ 0.5 0.224348 0.127913 ] [ 0 0.275652 0.627913 ] [ 0 0.724348 0.372087 ] [ 0.5 0.582181 0.774478 ] [ 0.5 0.417819 0.225522 ] [ 0 0.082181 0.725522 ] [ 0 0.917819 0.274478 ] [ 0.765718 0.306748 0.518303 ] [ 0.765718 0.693252 0.481697 ] [ 0.734282 0.806748 0.981697 ] [ 0.734282 0.193252 0.018303 ] [ 0.234282 0.693252 0.481697 ] [ 0.234282 0.306748 0.518303 ] [ 0.265718 0.193252 0.018303 ] [ 0.265718 0.806748 0.981697 ] [ 0 0.435596 0.774756 ] [ 0 0.564404 0.225244 ] [ 0.5 0.935596 0.725244 ] [ 0.5 0.064404 0.274756 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "In" "In" "In" "In" "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" 7.55826111 "source-unit" "angstrom" } "b" { "source-value" 9.78400524 "source-unit" "angstrom" } "c" { "source-value" 9.90869082 "source-unit" "angstrom" } }