{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.373308 0.580537 ] [ 0.25 0.626692 0.419463 ] [ 0.75 0.873308 0.919463 ] [ 0.25 0.126692 0.080537 ] [ 0.75 0.021374 0.330763 ] [ 0.25 0.978626 0.669237 ] [ 0.75 0.521374 0.169237 ] [ 0.25 0.478626 0.830763 ] [ 0.75 0.771054 0.571794 ] [ 0.25 0.228946 0.428206 ] [ 0.75 0.271054 0.928206 ] [ 0.25 0.728946 0.071794 ] [ 0.75 0.012968 0.594462 ] [ 0.25 0.987032 0.405538 ] [ 0.75 0.512968 0.905538 ] [ 0.25 0.487032 0.094462 ] [ 0.75 0.692669 0.40321 ] [ 0.25 0.307331 0.59679 ] [ 0.75 0.192669 0.09679 ] [ 0.25 0.807331 0.90321 ] [ 0.014058 0.67088 0.640569 ] [ 0.514058 0.32912 0.359431 ] [ 0.485942 0.17088 0.859431 ] [ 0.985942 0.82912 0.140569 ] [ 0.985942 0.32912 0.359431 ] [ 0.485942 0.67088 0.640569 ] [ 0.514058 0.82912 0.140569 ] [ 0.014058 0.17088 0.859431 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ge" "Ge" "Ge" "Ge" "S" "S" "S" "S" "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" 6.90167216 "source-unit" "angstrom" } "b" { "source-value" 9.09494396 "source-unit" "angstrom" } "c" { "source-value" 12.59050426 "source-unit" "angstrom" } }