{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.347479 0.406709 ] [ 0.75 0.652521 0.593291 ] [ 0.25 0.847479 0.093291 ] [ 0.75 0.152521 0.906709 ] [ 0.25 0.5143 0.809398 ] [ 0.75 0.4857 0.190602 ] [ 0.25 0.0143 0.690602 ] [ 0.75 0.9857 0.309398 ] [ 0.937479 0.308024 0.649691 ] [ 0.437479 0.691976 0.350309 ] [ 0.562521 0.808024 0.850309 ] [ 0.062521 0.191976 0.149691 ] [ 0.062521 0.691976 0.350309 ] [ 0.562521 0.308024 0.649691 ] [ 0.437479 0.191976 0.149691 ] [ 0.937479 0.808024 0.850309 ] [ 0.75 0.576889 0.907155 ] [ 0.25 0.423111 0.092845 ] [ 0.75 0.076889 0.592845 ] [ 0.25 0.923111 0.407155 ] [ 0.75 0.804893 0.040671 ] [ 0.25 0.195107 0.959329 ] [ 0.75 0.304893 0.459329 ] [ 0.25 0.695107 0.540671 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.87704527 "source-unit" "angstrom" } "b" { "source-value" 9.26992876 "source-unit" "angstrom" } "c" { "source-value" 11.72916875 "source-unit" "angstrom" } }