{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2mm" } "basis-atom-coordinates" { "source-value" [ [ 0.000446 0 0.141448 ] [ 0.007905 0 0 ] [ 0.500446 0.5 0.358552 ] [ 0.500446 0.5 0.641448 ] [ 0.507905 0.5 0.5 ] [ 0.000446 0 0.858552 ] [ 0.505608 0.5 0.928051 ] [ 0.505608 0.5 0.071949 ] [ 0.009526 0 0.283623 ] [ 0.509526 0.5 0.216377 ] [ 0.005608 0 0.428051 ] [ 0.005608 0 0.571949 ] [ 0.509526 0.5 0.783623 ] [ 0.009526 0 0.716377 ] [ 0.996498 0.5 0 ] [ 0.514824 0 0.355505 ] [ 0.492258 0 0.21031 ] [ 0.505799 0 0.928957 ] [ 0.505799 0 0.071043 ] [ 0.014824 0.5 0.144495 ] [ 0.992258 0.5 0.28969 ] [ 0.496498 0 0.5 ] [ 0.014824 0.5 0.855505 ] [ 0.992258 0.5 0.71031 ] [ 0.005799 0.5 0.428957 ] [ 0.005799 0.5 0.571043 ] [ 0.514824 0 0.644495 ] [ 0.492258 0 0.78969 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 3.05948766 "source-unit" "angstrom" } "b" { "source-value" 4.35863772 "source-unit" "angstrom" } "c" { "source-value" 21.47000695 "source-unit" "angstrom" } }