{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.677095 0.75 ] [ 0.5 0.322905 0.25 ] [ 0 0.177247 0.75 ] [ 0 0.822753 0.25 ] [ 0.782547 0.892664 0.56476 ] [ 0.735135 0.383511 0.594963 ] [ 0.217453 0.892664 0.93524 ] [ 0.264865 0.616489 0.405037 ] [ 0.264865 0.383511 0.905037 ] [ 0.782547 0.107336 0.06476 ] [ 0.735135 0.616489 0.094963 ] [ 0.217453 0.107336 0.43524 ] ] } "species" { "source-value" [ "Sc" "Sc" "Ta" "Ta" "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" 4.84802095348 "source-unit" "angstrom" } "b" { "source-value" 5.74907691 "source-unit" "angstrom" } "c" { "source-value" 5.15524563581 "source-unit" "angstrom" } "beta" { "source-value" 91.4855630483 "source-unit" "degree" } }