{ "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" [ [ 0.007207 0.670563 0.249726 ] [ 0.507207 0.329437 0.250274 ] [ 0.007207 0.670563 0.750274 ] [ 0.507207 0.329437 0.749726 ] [ 0.497989 0.835009 0 ] [ 0.997989 0.164991 0.5 ] [ 0.009852 0.175278 0 ] [ 0.509852 0.824722 0.5 ] [ 0.163223 0.833918 0 ] [ 0.606333 0.127663 0 ] [ 0.104095 0.31247 0.284887 ] [ 0.604095 0.68753 0.215113 ] [ 0.106333 0.872337 0.5 ] [ 0.663223 0.166082 0.5 ] [ 0.604095 0.68753 0.784887 ] [ 0.104095 0.31247 0.715113 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Si" "Si" "Ni" "Ni" "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" 4.91877973 "source-unit" "angstrom" } "b" { "source-value" 5.35259479 "source-unit" "angstrom" } "c" { "source-value" 6.29163904 "source-unit" "angstrom" } }