{ "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" [ [ 0.51643 0.809029 0.786907 ] [ 0.01643 0.690971 0.213093 ] [ 0.48357 0.309029 0.713093 ] [ 0.98357 0.190971 0.286907 ] [ 0.752569 0.651992 0.874369 ] [ 0.252569 0.848008 0.125631 ] [ 0.247431 0.151992 0.625631 ] [ 0.747431 0.348008 0.374369 ] [ 0.750131 0.976094 0.860749 ] [ 0.250131 0.523906 0.139251 ] [ 0.249869 0.476094 0.639251 ] [ 0.749869 0.023906 0.360749 ] [ 0.756269 0.800218 0.627376 ] [ 0.256269 0.699782 0.372624 ] [ 0.243731 0.300218 0.872624 ] [ 0.743731 0.199782 0.127376 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.68719746 "source-unit" "angstrom" } "b" { "source-value" 11.20163207 "source-unit" "angstrom" } "c" { "source-value" 13.16213104 "source-unit" "angstrom" } }