{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.495456 0.25 0.725817 ] [ 0.004544 0.25 0.225817 ] [ 0.504544 0.75 0.274183 ] [ 0.995456 0.75 0.774183 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0.051646 0.25 0.899557 ] [ 0.448354 0.25 0.399557 ] [ 0.948354 0.75 0.100443 ] [ 0.551646 0.75 0.600443 ] [ 0.229626 0.75 0.607612 ] [ 0.795477 0.959496 0.169322 ] [ 0.295477 0.459496 0.330678 ] [ 0.677922 0.75 0.457869 ] [ 0.295477 0.040504 0.330678 ] [ 0.795477 0.540504 0.169322 ] [ 0.322078 0.25 0.542131 ] [ 0.270374 0.75 0.107612 ] [ 0.177922 0.25 0.042131 ] [ 0.704523 0.540504 0.669322 ] [ 0.704523 0.959496 0.669322 ] [ 0.204523 0.040504 0.830678 ] [ 0.822078 0.75 0.957869 ] [ 0.204523 0.459496 0.830678 ] [ 0.770374 0.25 0.392388 ] [ 0.729626 0.25 0.892388 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Na" "Na" "Na" "Na" "Ge" "Ge" "Ge" "Ge" "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" 5.42041698 "source-unit" "angstrom" } "b" { "source-value" 6.54027173 "source-unit" "angstrom" } "c" { "source-value" 11.58707291 "source-unit" "angstrom" } }