{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.165264 0.679743 ] [ 0.75 0.834736 0.320257 ] [ 0.75 0.665264 0.820257 ] [ 0.25 0.334736 0.179743 ] [ 0.25 0.694288 0.571804 ] [ 0.75 0.305712 0.428196 ] [ 0.75 0.194288 0.928196 ] [ 0.25 0.805712 0.071804 ] [ 0.25 0.55113 0.710063 ] [ 0.75 0.44887 0.289937 ] [ 0.75 0.05113 0.789937 ] [ 0.25 0.94887 0.210063 ] [ 0.25 0.591607 0.412482 ] [ 0.75 0.408393 0.587518 ] [ 0.75 0.091607 0.087518 ] [ 0.25 0.908393 0.912482 ] [ 0.011003 0.825791 0.585232 ] [ 0.511003 0.174209 0.414768 ] [ 0.988997 0.325791 0.914768 ] [ 0.488997 0.674209 0.085232 ] [ 0.988997 0.174209 0.414768 ] [ 0.488997 0.825791 0.585232 ] [ 0.011003 0.674209 0.085232 ] [ 0.511003 0.325791 0.914768 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Al" "Al" "Al" "Al" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.31213851 "source-unit" "angstrom" } "b" { "source-value" 9.67774812 "source-unit" "angstrom" } "c" { "source-value" 11.94691917 "source-unit" "angstrom" } }