{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.73982 0.463293 0.115664 ] [ 0.737061 0.455654 0.608099 ] [ 0.548267 0.991981 0.750004 ] [ 0.451733 0.008019 0.249996 ] [ 0.262939 0.544346 0.391901 ] [ 0.26018 0.536707 0.884336 ] [ 0 0 0 ] [ 1 0 0.5 ] [ 0.711048 0.068203 0.484521 ] [ 0.925508 0.684555 0.954373 ] [ 0.710212 0.069377 0.048461 ] [ 0.928074 0.67531 0.39152 ] [ 0.915835 0.950417 0.736777 ] [ 0.560043 0.350522 0.834707 ] [ 0.546526 0.363426 0.341932 ] [ 0.453474 0.636574 0.658068 ] [ 0.439957 0.649478 0.165293 ] [ 0.084165 0.049583 0.263223 ] [ 0.071926 0.32469 0.60848 ] [ 0.289788 0.930623 0.951539 ] [ 0.074492 0.315445 0.045627 ] [ 0.288952 0.931797 0.515479 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Nb" "Nb" "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" 6.51782637 "source-unit" "angstrom" } "b" { "source-value" 6.630799 "source-unit" "angstrom" } "c" { "source-value" 7.75339594 "source-unit" "angstrom" } "alpha" { "source-value" 106.75070073 "source-unit" "degree" } "beta" { "source-value" 89.71379214 "source-unit" "degree" } "gamma" { "source-value" 97.10291415 "source-unit" "degree" } }