{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.188937 0.214175 0.620647 ] [ 0.830274 0.732132 0.917984 ] [ 0.169726 0.267868 0.082016 ] [ 0.811063 0.785825 0.379353 ] [ 0.669726 0.232132 0.582016 ] [ 0.688937 0.285825 0.120647 ] [ 0.330274 0.767868 0.417984 ] [ 0.311063 0.714175 0.879353 ] [ 0.513872 0.319869 0.309557 ] [ 0.548926 0.182288 0.835746 ] [ 0.013872 0.180131 0.809557 ] [ 0.451074 0.817712 0.164254 ] [ 0.486128 0.680131 0.690443 ] [ 0.048926 0.317712 0.335746 ] [ 0.951074 0.682288 0.664254 ] [ 0.986128 0.819869 0.190443 ] [ 0.828241 0.751849 0.584588 ] [ 0.328241 0.748151 0.084588 ] [ 0.853051 0.796299 0.153521 ] [ 0.353051 0.703701 0.653521 ] [ 0.146949 0.203701 0.846479 ] [ 0.941467 0.287395 0.358688 ] [ 0.543494 0.75487 0.619887 ] [ 0.558533 0.787395 0.141312 ] [ 0.556105 0.852686 0.79802 ] [ 0.058533 0.712605 0.641312 ] [ 0.530589 0.353214 0.731051 ] [ 0.969411 0.853214 0.768949 ] [ 0.469411 0.646786 0.268949 ] [ 0.443895 0.147314 0.20198 ] [ 0.441467 0.212605 0.858688 ] [ 0.171759 0.248151 0.415412 ] [ 0.056105 0.647314 0.29802 ] [ 0.043494 0.74513 0.119887 ] [ 0.646949 0.296299 0.346479 ] [ 0.030589 0.146786 0.231051 ] [ 0.956506 0.25487 0.880113 ] [ 0.456506 0.24513 0.380113 ] [ 0.943895 0.352686 0.70198 ] [ 0.671759 0.251849 0.915412 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "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" 12.2884964364 "source-unit" "angstrom" } "b" { "source-value" 4.62081093 "source-unit" "angstrom" } "c" { "source-value" 14.4693851374 "source-unit" "angstrom" } "beta" { "source-value" 114.601328625 "source-unit" "degree" } }