{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.850176 0.761809 ] [ 0.75 0.649824 0.261809 ] [ 0.25 0.350176 0.738191 ] [ 0.25 0.149824 0.238191 ] [ 0.25 0.422252 0.455554 ] [ 0.25 0.077748 0.955554 ] [ 0.75 0.922252 0.044446 ] [ 0.75 0.577748 0.544446 ] [ 0.75 0.432669 0.410529 ] [ 0.75 0.720275 0.986781 ] [ 0.25 0.279725 0.013219 ] [ 0.25 0.220275 0.513219 ] [ 0.25 0.567331 0.589471 ] [ 0.75 0.779725 0.486781 ] [ 0.25 0.932669 0.089471 ] [ 0.75 0.067331 0.910529 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "B" "B" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.03507219 "source-unit" "angstrom" } "b" { "source-value" 5.62219353 "source-unit" "angstrom" } "c" { "source-value" 8.21698826 "source-unit" "angstrom" } }