{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.364438 0.925342 0.052676 ] [ 0.864438 0.425342 0.447324 ] [ 0.135562 0.925342 0.552676 ] [ 0.635562 0.425342 0.947324 ] [ 0.880594 0.93002 0.121047 ] [ 0.380594 0.43002 0.378953 ] [ 0.619406 0.93002 0.621047 ] [ 0.119406 0.43002 0.878953 ] [ 0.148738 0.54053 0.129921 ] [ 0.648738 0.04053 0.370079 ] [ 0.351262 0.54053 0.629921 ] [ 0.851262 0.04053 0.870079 ] [ 0.347367 0.534082 0.021575 ] [ 0.930845 0.507248 0.039605 ] [ 0.667718 0.855445 0.262598 ] [ 0.649154 0.276312 0.303563 ] [ 0.149154 0.776312 0.196437 ] [ 0.167718 0.355445 0.237402 ] [ 0.430845 0.007248 0.460395 ] [ 0.847367 0.034082 0.478425 ] [ 0.152633 0.534082 0.521575 ] [ 0.569155 0.507248 0.539605 ] [ 0.832282 0.855445 0.762598 ] [ 0.850846 0.276312 0.803563 ] [ 0.350846 0.776312 0.696437 ] [ 0.332282 0.355445 0.737402 ] [ 0.069155 0.007248 0.960395 ] [ 0.652633 0.034082 0.978425 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 5.84281217 "source-unit" "angstrom" } "b" { "source-value" 5.98945896 "source-unit" "angstrom" } "c" { "source-value" 9.9252989 "source-unit" "angstrom" } }