{ "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" [ [ 0.719666 0.323134 0.120423 ] [ 0.280334 0.676866 0.879577 ] [ 0.276449 0.196586 0.804464 ] [ 0.723551 0.803414 0.195536 ] [ 0.887578 0.728818 0.558504 ] [ 0.112422 0.271182 0.441496 ] [ 0.78704 0.939573 0.806461 ] [ 0.21296 0.060427 0.193539 ] [ 0.806305 0.42404 0.699198 ] [ 0.193695 0.57596 0.300802 ] [ 0.58093 0.868151 0.516099 ] [ 0.41907 0.131849 0.483901 ] [ 0.560122 0.363396 0.795882 ] [ 0.439878 0.636604 0.204118 ] [ 0.718349 0.80337 0.453198 ] [ 0.281651 0.19663 0.546802 ] [ 0.466473 0.003396 0.247477 ] [ 0.533527 0.996604 0.752523 ] [ 0.028211 0.406732 0.793411 ] [ 0.971789 0.593268 0.206589 ] [ 0.038431 0.153959 0.334853 ] [ 0.961569 0.846041 0.665147 ] [ 0.059244 0.923437 0.155549 ] [ 0.940756 0.076563 0.844451 ] [ 0.125103 0.66491 0.463747 ] [ 0.874897 0.33509 0.536253 ] [ 0.268035 0.179525 0.049812 ] [ 0.731965 0.820475 0.950188 ] [ 0.257592 0.396404 0.340374 ] [ 0.742408 0.603596 0.659626 ] ] } "species" { "source-value" [ "K" "K" "Sc" "Sc" "B" "B" "P" "P" "P" "P" "H" "H" "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" 5.33972906122 "source-unit" "angstrom" } "b" { "source-value" 8.3989901178 "source-unit" "angstrom" } "c" { "source-value" 8.47306144 "source-unit" "angstrom" } "alpha" { "source-value" 88.2173770017 "source-unit" "degree" } "beta" { "source-value" 79.9368772107 "source-unit" "degree" } "gamma" { "source-value" 86.6588627442 "source-unit" "degree" } }