{ "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 0.232537 0.332675 ] [ 0 0.767463 0.667325 ] [ 0.5 0.732537 0.167325 ] [ 0.5 0.5 0.5 ] [ 0.5 0.267463 0.832675 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0.763466 0.333987 ] [ 0 0.236534 0.666013 ] [ 0.5 0.736534 0.833987 ] [ 0.5 0.263466 0.166013 ] [ 0.716331 0.299755 0.096831 ] [ 0.216331 0.200245 0.596831 ] [ 0.5 0.192319 0.304195 ] [ 0.716331 0.700245 0.903169 ] [ 0.283669 0.299755 0.096831 ] [ 0.216331 0.799755 0.403169 ] [ 0.783669 0.200245 0.596831 ] [ 0.283669 0.700245 0.903169 ] [ 0.783669 0.799755 0.403169 ] [ 0 0.307681 0.804195 ] [ 0 0.692319 0.195805 ] [ 0.5 0.807681 0.695805 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Y" "Y" "B" "B" "B" "B" "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" 5.58181698 "source-unit" "angstrom" } "b" { "source-value" 6.90723721 "source-unit" "angstrom" } "c" { "source-value" 9.44738339 "source-unit" "angstrom" } }