{ "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" [ [ 0.201568 0.988691 0.668724 ] [ 0.298432 0.988691 0.168724 ] [ 0.201568 0.511309 0.668724 ] [ 0.298432 0.511309 0.168724 ] [ 0.701568 0.488691 0.831276 ] [ 0.798432 0.488691 0.331276 ] [ 0.798432 0.011309 0.331276 ] [ 0.701568 0.011309 0.831276 ] [ 0.811367 0.25 0.586542 ] [ 0.688633 0.25 0.086542 ] [ 0.311367 0.75 0.913458 ] [ 0.188633 0.75 0.413458 ] [ 0.192954 0.25 0.923449 ] [ 0.307046 0.25 0.423449 ] [ 0.692954 0.75 0.576551 ] [ 0.807046 0.75 0.076551 ] [ 0.306534 0.03837 0.847755 ] [ 0.193466 0.03837 0.347755 ] [ 0.873542 0.25 0.917513 ] [ 0.210215 0.25 0.572311 ] [ 0.289785 0.25 0.072311 ] [ 0.626458 0.25 0.417513 ] [ 0.306534 0.46163 0.847755 ] [ 0.193466 0.46163 0.347755 ] [ 0.693466 0.53837 0.152245 ] [ 0.806534 0.53837 0.652245 ] [ 0.710215 0.75 0.927689 ] [ 0.373542 0.75 0.582487 ] [ 0.789785 0.75 0.427689 ] [ 0.126458 0.75 0.082487 ] [ 0.806534 0.96163 0.652245 ] [ 0.693466 0.96163 0.152245 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" "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" 5.15223919 "source-unit" "angstrom" } "b" { "source-value" 6.29549036 "source-unit" "angstrom" } "c" { "source-value" 10.52363616 "source-unit" "angstrom" } }