{ "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" [ [ 0.098939 0.109057 0.41805 ] [ 0.598939 0.390943 0.58195 ] [ 0.901061 0.609057 0.08195 ] [ 0.401061 0.890943 0.91805 ] [ 0.667713 0.146018 0.212583 ] [ 0.167713 0.353982 0.787417 ] [ 0.332287 0.646018 0.287417 ] [ 0.832287 0.853982 0.712583 ] [ 0.169384 0.184643 0.105682 ] [ 0.669384 0.315357 0.894318 ] [ 0.830616 0.684643 0.394318 ] [ 0.330616 0.815357 0.605682 ] [ 0.409782 0.425424 0.031009 ] [ 0.909782 0.074576 0.968991 ] [ 0.590218 0.925424 0.468991 ] [ 0.090218 0.574576 0.531009 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.7425527 "source-unit" "angstrom" } "b" { "source-value" 7.08345284 "source-unit" "angstrom" } "c" { "source-value" 12.27014134 "source-unit" "angstrom" } }