{ "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" [ [ 0.061273 0.535406 0.133085 ] [ 0.438727 0.464594 0.633085 ] [ 0.938727 0.035406 0.366915 ] [ 0.561273 0.964594 0.866915 ] [ 0.958275 0.739669 0.711446 ] [ 0.458275 0.760331 0.288554 ] [ 0.041725 0.239669 0.788554 ] [ 0.541725 0.260331 0.211446 ] [ 0.326521 0.578276 0.377693 ] [ 0.173479 0.421724 0.877693 ] [ 0.673479 0.078276 0.122307 ] [ 0.826521 0.921724 0.622307 ] [ 0.191723 0.259075 0.21618 ] [ 0.691723 0.240925 0.78382 ] [ 0.808277 0.759075 0.28382 ] [ 0.308277 0.740925 0.71618 ] [ 0.647281 0.435515 0.102762 ] [ 0.147281 0.064485 0.897238 ] [ 0.352719 0.935515 0.397238 ] [ 0.852719 0.564485 0.602762 ] [ 0.824215 0.735575 0.905104 ] [ 0.324215 0.764425 0.094896 ] [ 0.175785 0.235575 0.594896 ] [ 0.675785 0.264425 0.405104 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Fe" "Fe" "Fe" "Fe" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.33539758 "source-unit" "angstrom" } "b" { "source-value" 10.05616305 "source-unit" "angstrom" } "c" { "source-value" 10.55877332 "source-unit" "angstrom" } }