{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.290556 0.397992 0.636794 ] [ 0.290556 0.102008 0.136794 ] [ 0.790555 0.602008 0.363206 ] [ 0.790555 0.897992 0.863206 ] [ 0.223455 0.630879 0.047679 ] [ 0.223455 0.869121 0.547679 ] [ 0.723455 0.130879 0.452321 ] [ 0.723455 0.369121 0.952321 ] [ 0.215042 0.058864 0.649854 ] [ 0.44651 0.73012 0.583225 ] [ 0.704526 0.408207 0.135823 ] [ 0.94651 0.23012 0.916775 ] [ 0.482511 0.249984 0.897086 ] [ 0.982511 0.750016 0.102914 ] [ 0.482511 0.250016 0.397086 ] [ 0.215042 0.441136 0.149854 ] [ 0.44651 0.76988 0.083225 ] [ 0.715042 0.558864 0.850146 ] [ 0.204526 0.591793 0.864177 ] [ 0.704526 0.091793 0.635823 ] [ 0.715042 0.941136 0.350146 ] [ 0.204526 0.908207 0.364177 ] [ 0.94651 0.26988 0.416775 ] [ 0.982511 0.749984 0.602914 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Be" "Be" "Be" "Be" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.49117297 "source-unit" "angstrom" } "b" { "source-value" 6.80490076 "source-unit" "angstrom" } "c" { "source-value" 8.27096854 "source-unit" "angstrom" } }