{ "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" [ [ 0.972869 0.386113 0.441097 ] [ 0.472869 0.113887 0.558903 ] [ 0.027131 0.886113 0.058903 ] [ 0.527131 0.613887 0.941097 ] [ 0.899189 0.384631 0.131402 ] [ 0.399189 0.115369 0.868598 ] [ 0.100811 0.884631 0.368598 ] [ 0.600811 0.615369 0.631402 ] [ 0.505012 0.136197 0.249113 ] [ 0.005012 0.363803 0.750887 ] [ 0.494988 0.636197 0.250887 ] [ 0.994988 0.863803 0.749113 ] [ 0.259669 0.132802 0.088319 ] [ 0.759669 0.367198 0.911681 ] [ 0.740331 0.632802 0.411681 ] [ 0.240331 0.867198 0.588319 ] [ 0.258915 0.38468 0.296552 ] [ 0.758915 0.11532 0.703448 ] [ 0.741085 0.88468 0.203448 ] [ 0.241085 0.61532 0.796552 ] [ 0.734962 0.138708 0.41233 ] [ 0.234962 0.361292 0.58767 ] [ 0.265038 0.638708 0.08767 ] [ 0.765038 0.861292 0.91233 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Bi" "Bi" "Bi" "Bi" "Pt" "Pt" "Pt" "Pt" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.96325228 "source-unit" "angstrom" } "b" { "source-value" 7.78113505 "source-unit" "angstrom" } "c" { "source-value" 12.69328866 "source-unit" "angstrom" } }