{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.676926 0 0.695456 ] [ 0.323074 0 0.195456 ] [ 0.176926 0.5 0.695456 ] [ 0.823074 0.5 0.195456 ] [ 0.78068 0.834056 0.260924 ] [ 0.21932 0.165944 0.760924 ] [ 0.21932 0.834056 0.760924 ] [ 0.78068 0.165944 0.260924 ] [ 0.28068 0.334056 0.260924 ] [ 0.71932 0.665944 0.760924 ] [ 0.71932 0.334056 0.760924 ] [ 0.28068 0.665944 0.260924 ] [ 0.51028 0.751066 0.487851 ] [ 0.48972 0.248934 0.987851 ] [ 0.48972 0.751066 0.987851 ] [ 0.51028 0.248934 0.487851 ] [ 0.82455 0.909309 0.671213 ] [ 0.17545 0.090691 0.171213 ] [ 0.470141 0 0.466569 ] [ 0.529859 0 0.966569 ] [ 0.82455 0.090691 0.671213 ] [ 0.17545 0.909309 0.171213 ] [ 0.01028 0.251066 0.487851 ] [ 0.98972 0.748934 0.987851 ] [ 0.98972 0.251066 0.987851 ] [ 0.01028 0.748934 0.487851 ] [ 0.32455 0.409309 0.671213 ] [ 0.67545 0.590691 0.171213 ] [ 0.970141 0.5 0.466569 ] [ 0.029859 0.5 0.966569 ] [ 0.32455 0.590691 0.671213 ] [ 0.67545 0.409309 0.171213 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "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" 5.55379852351 "source-unit" "angstrom" } "b" { "source-value" 15.4088091829 "source-unit" "angstrom" } "c" { "source-value" 5.39235549 "source-unit" "angstrom" } }