{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.58679 0.241434 0.162168 ] [ 0.623065 0.413542 0.510191 ] [ 0.91321 0.758566 0.662168 ] [ 0.876935 0.586458 0.010191 ] [ 0.123065 0.086458 0.489809 ] [ 0.376935 0.913542 0.989809 ] [ 0.41321 0.741434 0.337832 ] [ 0.08679 0.258566 0.837832 ] [ 0.90503 0.083315 0.018962 ] [ 0.428837 0.864141 0.625967 ] [ 0.036414 0.874804 0.201945 ] [ 0.963586 0.374804 0.298055 ] [ 0.258147 0.35587 0.652448 ] [ 0.071163 0.135859 0.125967 ] [ 0.559774 0.7442 0.160425 ] [ 0.536414 0.625196 0.798055 ] [ 0.571163 0.364141 0.874033 ] [ 0.09497 0.583315 0.481038 ] [ 0.59497 0.916685 0.518962 ] [ 0.059774 0.7558 0.839575 ] [ 0.758147 0.14413 0.347552 ] [ 0.928837 0.635859 0.374033 ] [ 0.940226 0.2558 0.660425 ] [ 0.463586 0.125196 0.701945 ] [ 0.741853 0.85587 0.847552 ] [ 0.440226 0.2442 0.339575 ] [ 0.241853 0.64413 0.152448 ] [ 0.40503 0.416685 0.981038 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.06493068 "source-unit" "angstrom" } "b" { "source-value" 7.33739488 "source-unit" "angstrom" } "c" { "source-value" 18.76292836 "source-unit" "angstrom" } }