{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.198234 0.879551 ] [ 0 0.801766 0.379551 ] [ 0.5 0.698234 0.879551 ] [ 0.5 0.301766 0.379551 ] [ 0.5 0.914308 0.808262 ] [ 0.5 0.085692 0.308262 ] [ 0 0.414308 0.808262 ] [ 0 0.585692 0.308262 ] [ 0 0.100868 0.248678 ] [ 0.5 0.797805 0.586993 ] [ 0.5 0.831542 0.087198 ] [ 0.5 0.97773 0.474119 ] [ 0.5 0.02227 0.974119 ] [ 0.5 0.168458 0.587198 ] [ 0.5 0.202195 0.086993 ] [ 0 0.899132 0.748678 ] [ 0.5 0.600868 0.248678 ] [ 0 0.297805 0.586993 ] [ 0 0.331542 0.087198 ] [ 0 0.47773 0.474119 ] [ 0 0.52227 0.974119 ] [ 0 0.668458 0.587198 ] [ 0 0.702195 0.086993 ] [ 0.5 0.399132 0.748678 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Ta" "Ta" "Ta" "Ta" "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" 3.86360164 "source-unit" "angstrom" } "b" { "source-value" 15.35792862 "source-unit" "angstrom" } "c" { "source-value" 5.39936491 "source-unit" "angstrom" } }