{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.740362 0.530919 0.928648 ] [ 0.759638 0.969081 0.428648 ] [ 0.259638 0.030919 0.071352 ] [ 0.240362 0.469081 0.571352 ] [ 0.259638 0.469081 0.071352 ] [ 0.240362 0.030919 0.571352 ] [ 0.740362 0.969081 0.928648 ] [ 0.759638 0.530919 0.428648 ] [ 0.090483 0.75 0.244516 ] [ 0.409517 0.75 0.744516 ] [ 0.909517 0.25 0.755484 ] [ 0.590483 0.25 0.255484 ] [ 0.757467 0.531031 0.175105 ] [ 0.742533 0.968969 0.675105 ] [ 0.242533 0.031031 0.824895 ] [ 0.257467 0.468969 0.324895 ] [ 0.242533 0.468969 0.824895 ] [ 0.257467 0.031031 0.324895 ] [ 0.757467 0.968969 0.175105 ] [ 0.742533 0.531031 0.675105 ] [ 0.106095 0.75 0.11467 ] [ 0.393905 0.75 0.61467 ] [ 0.893905 0.25 0.88533 ] [ 0.606095 0.25 0.38533 ] [ 0.064032 0.75 0.373124 ] [ 0.435968 0.75 0.873124 ] [ 0.935968 0.25 0.626876 ] [ 0.564032 0.25 0.126876 ] [ 0.211181 0.564591 0.254869 ] [ 0.288819 0.935409 0.754869 ] [ 0.788819 0.064591 0.745131 ] [ 0.711181 0.435409 0.245131 ] [ 0.788819 0.435409 0.745131 ] [ 0.711181 0.064591 0.245131 ] [ 0.211181 0.935409 0.254869 ] [ 0.288819 0.564591 0.754869 ] [ 0.831567 0.624249 0.237421 ] [ 0.668433 0.875751 0.737421 ] [ 0.168433 0.124249 0.762579 ] [ 0.331567 0.375751 0.262579 ] [ 0.168433 0.375751 0.762579 ] [ 0.331567 0.124249 0.262579 ] [ 0.831567 0.875751 0.237421 ] [ 0.668433 0.624249 0.737421 ] [ 0.894934 0.491455 0.106583 ] [ 0.605066 0.008545 0.606583 ] [ 0.105066 0.991455 0.893417 ] [ 0.394934 0.508545 0.393417 ] [ 0.105066 0.508545 0.893417 ] [ 0.394934 0.991455 0.393417 ] [ 0.894934 0.008545 0.106583 ] [ 0.605066 0.491455 0.606583 ] [ 0.588423 0.567128 0.126938 ] [ 0.911577 0.932872 0.626938 ] [ 0.411577 0.067128 0.873062 ] [ 0.088423 0.432872 0.373062 ] [ 0.411577 0.432872 0.873062 ] [ 0.088423 0.067128 0.373062 ] [ 0.588423 0.932872 0.126938 ] [ 0.911577 0.567128 0.626938 ] [ 0.405557 0.75 0.247064 ] [ 0.094443 0.75 0.747064 ] [ 0.594443 0.25 0.752936 ] [ 0.905557 0.25 0.252936 ] [ 0.899623 0.75 0.930185 ] [ 0.600377 0.75 0.430185 ] [ 0.100377 0.25 0.069815 ] [ 0.399623 0.25 0.569815 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "U" "U" "U" "U" "S" "S" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.30281895 "source-unit" "angstrom" } "b" { "source-value" 11.75282671 "source-unit" "angstrom" } "c" { "source-value" 14.02710557 "source-unit" "angstrom" } }