{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.094489 0.151896 ] [ 0.5 0.405511 0.651896 ] [ 0.5 0.905511 0.848104 ] [ 0.5 0.594489 0.348104 ] [ 0 0.067239 0.441564 ] [ 0 0.567239 0.058436 ] [ 0 0.932761 0.558436 ] [ 0 0.432761 0.941564 ] [ 0 0.466428 0.153895 ] [ 0 0.26438 0.452332 ] [ 0 0.23562 0.952332 ] [ 0 0.966428 0.346105 ] [ 0 0.033572 0.653895 ] [ 0 0.533572 0.846105 ] [ 0 0.73562 0.547668 ] [ 0 0.76438 0.047668 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "C" "C" "C" "C" "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" 3.69246571 "source-unit" "angstrom" } "b" { "source-value" 6.4039239 "source-unit" "angstrom" } "c" { "source-value" 11.48415141 "source-unit" "angstrom" } }