{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.996449 0.174868 0.37163 ] [ 0.496449 0.325132 0.62837 ] [ 0.003551 0.674868 0.12837 ] [ 0.503551 0.825132 0.87163 ] [ 0.003551 0.825132 0.62837 ] [ 0.503551 0.674868 0.37163 ] [ 0.996449 0.325132 0.87163 ] [ 0.496449 0.174868 0.12837 ] [ 0.121821 0.053312 0.181729 ] [ 0.621821 0.446688 0.818271 ] [ 0.878179 0.553312 0.318271 ] [ 0.378179 0.946688 0.681729 ] [ 0.878179 0.946688 0.818271 ] [ 0.378179 0.553312 0.181729 ] [ 0.121821 0.446688 0.681729 ] [ 0.621821 0.053312 0.318271 ] [ 0.363726 0.309219 0.43153 ] [ 0.863726 0.190781 0.56847 ] [ 0.636274 0.809219 0.06847 ] [ 0.136274 0.690781 0.93153 ] [ 0.636274 0.690781 0.56847 ] [ 0.136274 0.809219 0.43153 ] [ 0.363726 0.190781 0.93153 ] [ 0.863726 0.309219 0.06847 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "As" "As" "As" "As" "As" "As" "As" "As" "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" 5.81732232 "source-unit" "angstrom" } "b" { "source-value" 5.87774881 "source-unit" "angstrom" } "c" { "source-value" 11.51224167 "source-unit" "angstrom" } }