{ "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 0.66902 0.588669 ] [ 0.25 0.33098 0.411331 ] [ 0.75 0.16902 0.911331 ] [ 0.25 0.83098 0.088669 ] [ 0.75 0.987321 0.306511 ] [ 0.25 0.012679 0.693489 ] [ 0.75 0.487321 0.193489 ] [ 0.25 0.512679 0.806511 ] [ 0.75 0.236114 0.580413 ] [ 0.25 0.763886 0.419587 ] [ 0.75 0.736114 0.919587 ] [ 0.25 0.263886 0.080413 ] [ 0.75 0.042561 0.584778 ] [ 0.25 0.957439 0.415222 ] [ 0.75 0.542561 0.915222 ] [ 0.25 0.457439 0.084778 ] [ 0.75 0.292448 0.439883 ] [ 0.25 0.707552 0.560117 ] [ 0.75 0.792448 0.060117 ] [ 0.25 0.207552 0.939883 ] [ 0.961498 0.306855 0.647126 ] [ 0.461498 0.693145 0.352874 ] [ 0.538502 0.806855 0.852874 ] [ 0.038502 0.193145 0.147126 ] [ 0.038502 0.693145 0.352874 ] [ 0.538502 0.306855 0.647126 ] [ 0.461498 0.193145 0.147126 ] [ 0.961498 0.806855 0.852874 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Mn" "Mn" "Mn" "Mn" "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" 6.40836547 "source-unit" "angstrom" } "b" { "source-value" 8.57690131 "source-unit" "angstrom" } "c" { "source-value" 11.38817165 "source-unit" "angstrom" } }