{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.743039 0.481689 0.076466 ] [ 0.886346 0.876204 0.264985 ] [ 0.374306 0.360125 0.268123 ] [ 0.607009 0.119661 0.269069 ] [ 0.127959 0.640987 0.264219 ] [ 0.381032 0.876042 0.737223 ] [ 0.622064 0.626056 0.730645 ] [ 0.112481 0.137477 0.730696 ] [ 0.250277 0.51303 0.915482 ] [ 0.767279 0.027217 0.915964 ] [ 0.985464 0.237899 0.349966 ] [ 0.488553 0.734512 0.344187 ] [ 0.01178 0.758933 0.654943 ] [ 0.518804 0.264778 0.654833 ] [ 0.768119 0.515149 0.422723 ] [ 0.266011 0.017425 0.423451 ] [ 0.730197 0.979588 0.581353 ] [ 0.233633 0.483725 0.577303 ] [ 0.519427 0.768268 0.063497 ] [ 0.021531 0.267304 0.071541 ] [ 0.979305 0.729412 0.931429 ] [ 0.479844 0.23478 0.932667 ] [ 0.968451 0.718984 0.073761 ] [ 0.476558 0.227276 0.075034 ] [ 0.406483 0.654726 0.121645 ] [ 0.906315 0.159095 0.135326 ] [ 0.618507 0.867396 0.156307 ] [ 0.118955 0.372247 0.160625 ] [ 0.325347 0.888408 0.326615 ] [ 0.82905 0.389446 0.321109 ] [ 0.643958 0.575645 0.31675 ] [ 0.136968 0.07802 0.325514 ] [ 0.801129 0.054554 0.434201 ] [ 0.307914 0.554246 0.429514 ] [ 0.915052 0.66409 0.459284 ] [ 0.414747 0.164919 0.458334 ] [ 0.587362 0.827791 0.543864 ] [ 0.089871 0.33507 0.539777 ] [ 0.192613 0.946049 0.571259 ] [ 0.69103 0.442542 0.566121 ] [ 0.862062 0.924492 0.68175 ] [ 0.178007 0.614848 0.675594 ] [ 0.662706 0.099347 0.682594 ] [ 0.360685 0.425851 0.680937 ] [ 0.877511 0.632055 0.841507 ] [ 0.380744 0.136071 0.841559 ] [ 0.590911 0.347556 0.87038 ] [ 0.093611 0.836478 0.868044 ] [ 0.534715 0.780073 0.921258 ] [ 0.032323 0.270353 0.930249 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "C" "C" "C" "C" "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" 8.38007748 "source-unit" "angstrom" } "b" { "source-value" 8.39387989 "source-unit" "angstrom" } "c" { "source-value" 8.95851632 "source-unit" "angstrom" } "alpha" { "source-value" 90.88371368 "source-unit" "degree" } "beta" { "source-value" 91.29530637 "source-unit" "degree" } "gamma" { "source-value" 103.00683311 "source-unit" "degree" } }