{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.1733 0.779269 0.293 ] [ 0.6733 0.720731 0.707 ] [ 0.8267 0.279269 0.207 ] [ 0.3267 0.220731 0.793 ] [ 0.734201 0.040394 0.48548 ] [ 0.234201 0.459606 0.51452 ] [ 0.265799 0.540394 0.01452 ] [ 0.765799 0.959606 0.98548 ] [ 0.176891 0.037853 0.379006 ] [ 0.323109 0.962147 0.879006 ] [ 0.823109 0.537853 0.120994 ] [ 0.676891 0.462147 0.620994 ] [ 0.822618 0.643151 0.670478 ] [ 0.177382 0.143151 0.829522 ] [ 0.677382 0.356849 0.170478 ] [ 0.970054 0.625329 0.262482 ] [ 0.029946 0.125329 0.237518 ] [ 0.529946 0.374671 0.762482 ] [ 0.556825 0.62881 0.041006 ] [ 0.470054 0.874671 0.737518 ] [ 0.443175 0.12881 0.458994 ] [ 0.943175 0.37119 0.541006 ] [ 0.576071 0.014627 0.009181 ] [ 0.056825 0.87119 0.958994 ] [ 0.923929 0.985373 0.509181 ] [ 0.423929 0.514627 0.490819 ] [ 0.076071 0.485373 0.990819 ] [ 0.322618 0.856849 0.329522 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "Se" "Se" "Se" "Se" "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" 4.71127054 "source-unit" "angstrom" } "b" { "source-value" 8.43967899 "source-unit" "angstrom" } "c" { "source-value" 9.09317355 "source-unit" "angstrom" } }