{ "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" [ [ 0.116669 0.916753 0.748418 ] [ 0.883331 0.083247 0.251582 ] [ 0.230744 0.411233 0.521464 ] [ 0.236191 0.41326 0.023393 ] [ 0.412955 0.5516 0.368422 ] [ 0.45634 0.765885 0.540572 ] [ 0.417229 0.552074 0.867065 ] [ 0.457048 0.766465 0.039854 ] [ 0.54366 0.234115 0.459428 ] [ 0.587045 0.4484 0.631578 ] [ 0.542952 0.233535 0.960146 ] [ 0.582771 0.447926 0.132935 ] [ 0.769256 0.588767 0.478536 ] [ 0.763809 0.58674 0.976607 ] [ 0.131661 0.733999 0.435061 ] [ 0.128614 0.738428 0.933575 ] [ 0.268604 0.609136 0.681704 ] [ 0.211352 0.215629 0.358894 ] [ 0.271673 0.619425 0.182564 ] [ 0.207921 0.226903 0.858198 ] [ 0.370521 0.119853 0.618492 ] [ 0.374938 0.118858 0.118267 ] [ 0.629479 0.880147 0.381508 ] [ 0.625062 0.881142 0.881733 ] [ 0.788648 0.784371 0.641106 ] [ 0.731396 0.390864 0.318296 ] [ 0.792079 0.773097 0.141802 ] [ 0.728327 0.380575 0.817436 ] [ 0.868339 0.266001 0.564939 ] [ 0.871386 0.261572 0.066425 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.83772678 "source-unit" "angstrom" } "b" { "source-value" 6.8558 "source-unit" "angstrom" } "c" { "source-value" 13.66240275 "source-unit" "angstrom" } "alpha" { "source-value" 90.79340254 "source-unit" "degree" } "beta" { "source-value" 94.33811997 "source-unit" "degree" } "gamma" { "source-value" 94.47281332 "source-unit" "degree" } }