{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.935817 0.24169 0.686485 ] [ 0.971621 0.75488 0.877372 ] [ 0.597154 0.745349 0.336558 ] [ 0.534042 0.265457 0.114141 ] [ 0.465958 0.765457 0.885859 ] [ 0.402846 0.245349 0.663442 ] [ 0.028379 0.25488 0.122628 ] [ 0.064183 0.74169 0.313515 ] [ 0.80014 0.721092 0.074401 ] [ 0.865451 0.244635 0.43496 ] [ 0.665913 0.248502 0.864857 ] [ 0.652755 0.665996 0.603196 ] [ 0.347245 0.165996 0.396804 ] [ 0.334087 0.748502 0.135143 ] [ 0.134549 0.744635 0.56504 ] [ 0.19986 0.221092 0.925599 ] [ 0.969568 0.503695 0.798638 ] [ 0.917257 0.526664 0.586147 ] [ 0.82294 0.713225 0.30711 ] [ 0.775384 0.360016 0.107854 ] [ 0.880067 0.060401 0.56536 ] [ 0.9857 0.10151 0.986991 ] [ 0.901565 0.006669 0.780685 ] [ 0.624464 0.045134 0.395233 ] [ 0.544534 0.990235 0.182107 ] [ 0.666297 0.342178 0.677247 ] [ 0.726645 0.753067 0.915935 ] [ 0.606989 0.562955 0.453469 ] [ 0.485561 0.628633 0.023577 ] [ 0.499051 0.516358 0.219206 ] [ 0.500949 0.016358 0.780794 ] [ 0.514439 0.128633 0.976423 ] [ 0.393011 0.062955 0.546531 ] [ 0.273355 0.253067 0.084065 ] [ 0.333703 0.842178 0.322753 ] [ 0.455466 0.490235 0.817893 ] [ 0.375536 0.545134 0.604767 ] [ 0.098435 0.506669 0.219315 ] [ 0.0143 0.60151 0.013009 ] [ 0.119933 0.560401 0.43464 ] [ 0.224616 0.860016 0.892146 ] [ 0.17706 0.213225 0.69289 ] [ 0.082743 0.026664 0.413853 ] [ 0.030432 0.003695 0.201362 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.76440956 "source-unit" "angstrom" } "b" { "source-value" 5.6775023 "source-unit" "angstrom" } "c" { "source-value" 13.26402271 "source-unit" "angstrom" } "beta" { "source-value" 97.74720724 "source-unit" "degree" } }