{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmb" } "basis-atom-coordinates" { "source-value" [ [ 0.26449 0.75 0.919436 ] [ 0.26449 0.25 0.580564 ] [ 0.73551 0.25 0.080564 ] [ 0.73551 0.75 0.419436 ] [ 0.072852 0.75 0.170282 ] [ 0.072852 0.25 0.329718 ] [ 0.927148 0.25 0.829718 ] [ 0.927148 0.75 0.670282 ] [ 0.172449 0.5 0.75 ] [ 0.827551 0 0.25 ] [ 0.827551 0.5 0.25 ] [ 0.172449 0 0.75 ] [ 0.743797 0.496079 0.921862 ] [ 0.743797 0.503921 0.578138 ] [ 0.256203 0.996079 0.078138 ] [ 0.256203 0.003921 0.421862 ] [ 0.743797 0.996079 0.578138 ] [ 0.743797 0.003921 0.921862 ] [ 0.256203 0.496079 0.421862 ] [ 0.256203 0.503921 0.078138 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Au" "Au" "Au" "Au" "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" 4.06924201 "source-unit" "angstrom" } "b" { "source-value" 5.75254482 "source-unit" "angstrom" } "c" { "source-value" 13.26282316 "source-unit" "angstrom" } }