{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.243166 0.652788 ] [ 0.25 0.256834 0.152788 ] [ 0.75 0.743166 0.847212 ] [ 0.25 0.756834 0.347212 ] [ 0.75 0.064118 0.887303 ] [ 0.75 0.080577 0.395074 ] [ 0.25 0.419423 0.895074 ] [ 0.25 0.435882 0.387303 ] [ 0.75 0.564118 0.612697 ] [ 0.75 0.580577 0.104926 ] [ 0.25 0.919423 0.604926 ] [ 0.25 0.935882 0.112697 ] [ 0.25 0.021256 0.284523 ] [ 0.75 0.075526 0.072472 ] [ 0.25 0.112751 0.517648 ] [ 0.25 0.205916 0.851262 ] [ 0.75 0.294084 0.351262 ] [ 0.75 0.387249 0.017648 ] [ 0.25 0.424474 0.572472 ] [ 0.75 0.478744 0.784523 ] [ 0.25 0.521256 0.215477 ] [ 0.75 0.575526 0.427528 ] [ 0.25 0.612751 0.982352 ] [ 0.25 0.705916 0.648738 ] [ 0.75 0.794084 0.148738 ] [ 0.75 0.887249 0.482352 ] [ 0.25 0.924474 0.927528 ] [ 0.75 0.978744 0.715477 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 2.97350116 "source-unit" "angstrom" } "b" { "source-value" 9.06493352 "source-unit" "angstrom" } "c" { "source-value" 10.61801205 "source-unit" "angstrom" } }