{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.171294 0.25 0.217804 ] [ 0.671294 0.25 0.282196 ] [ 0.828706 0.75 0.782196 ] [ 0.328706 0.75 0.717804 ] [ 0.512535 0.25 0.922227 ] [ 0.987465 0.75 0.422227 ] [ 0.487465 0.75 0.077773 ] [ 0.012535 0.25 0.577773 ] [ 0.540078 0.75 0.440269 ] [ 0.459922 0.25 0.559731 ] [ 0.959922 0.25 0.940269 ] [ 0.040078 0.75 0.059731 ] [ 0.841109 0.75 0.043872 ] [ 0.835792 0.25 0.050758 ] [ 0.130608 0.75 0.186401 ] [ 0.869392 0.25 0.813599 ] [ 0.335792 0.25 0.449242 ] [ 0.158891 0.25 0.956128 ] [ 0.664208 0.75 0.550758 ] [ 0.658891 0.25 0.543872 ] [ 0.369392 0.25 0.686401 ] [ 0.341109 0.75 0.456128 ] [ 0.630608 0.75 0.313599 ] [ 0.164208 0.75 0.949242 ] [ 0.042053 0.940369 0.630046 ] [ 0.542053 0.940369 0.869954 ] [ 0.457947 0.059631 0.130046 ] [ 0.957947 0.059631 0.369954 ] [ 0.042053 0.559631 0.630046 ] [ 0.957947 0.440369 0.369954 ] [ 0.457947 0.440369 0.130046 ] [ 0.542053 0.559631 0.869954 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Y" "Y" "Y" "Y" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "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" 6.37191436 "source-unit" "angstrom" } "b" { "source-value" 7.08344299 "source-unit" "angstrom" } "c" { "source-value" 9.30130116 "source-unit" "angstrom" } }