{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.84819 0.986061 0.718901 ] [ 0.573551 0.005423 0.144779 ] [ 0.713023 0.000424 0.425858 ] [ 0.511767 0.494075 0.015838 ] [ 0.930605 0.500876 0.866876 ] [ 0.776161 0.500034 0.555702 ] [ 0.143596 0.001885 0.285616 ] [ 0.428241 0.994263 0.850367 ] [ 0.214744 0.500578 0.431534 ] [ 0.060266 0.497289 0.138371 ] [ 0.367323 0.509042 0.705381 ] [ 0.388739 0.745129 0.284582 ] [ 0.258443 0.756975 0.002525 ] [ 0.459229 0.248657 0.425095 ] [ 0.317779 0.248756 0.145458 ] [ 0.82453 0.753179 0.146617 ] [ 0.964699 0.753392 0.425251 ] [ 0.095863 0.733978 0.712122 ] [ 0.892331 0.257664 0.286302 ] [ 0.673379 0.737964 0.863943 ] [ 0.74773 0.231697 0.998903 ] [ 0.032946 0.241088 0.572099 ] [ 0.534996 0.764351 0.566693 ] [ 0.189195 0.260782 0.854941 ] [ 0.617182 0.258276 0.711992 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 5.07661824 "source-unit" "angstrom" } "b" { "source-value" 5.10822353 "source-unit" "angstrom" } "c" { "source-value" 10.69932597 "source-unit" "angstrom" } "alpha" { "source-value" 85.73210252 "source-unit" "degree" } "beta" { "source-value" 103.67013013 "source-unit" "degree" } "gamma" { "source-value" 109.12321089 "source-unit" "degree" } }