{ "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" [ [ 0.02967 0.031107 0.395557 ] [ 0.984567 0.006574 0.661414 ] [ 0.753467 0.740853 0.147174 ] [ 0.018041 0.356259 0.372338 ] [ 0.273463 0.934656 0.886143 ] [ 0.47081 0.163024 0.629469 ] [ 0.234268 0.560311 0.130946 ] [ 0.764837 0.436764 0.873118 ] [ 0.517717 0.846732 0.386495 ] [ 0.980608 0.646535 0.628572 ] [ 0.7457 0.068254 0.127636 ] [ 0.031905 0.688291 0.377507 ] [ 0.269063 0.607038 0.881369 ] [ 0.489687 0.820502 0.634368 ] [ 0.235268 0.885422 0.12896 ] [ 0.515118 0.184387 0.375398 ] [ 0.763698 0.103724 0.873941 ] [ 0.964916 0.310642 0.620289 ] [ 0.73036 0.402971 0.130373 ] [ 0.010833 0.068754 0.852896 ] [ 0.133943 0.70701 0.825975 ] [ 0.131052 0.523887 0.931177 ] [ 0.080813 0.1695 0.602181 ] [ 0.050131 0.419428 0.574941 ] [ 0.241754 0.837149 0.668937 ] [ 0.253978 0.65246 0.325656 ] [ 0.53029 0.595789 0.890286 ] [ 0.63864 0.223461 0.843007 ] [ 0.429339 0.072615 0.417415 ] [ 0.362012 0.301937 0.365968 ] [ 0.634305 0.016494 0.922365 ] [ 0.346997 0.973829 0.074238 ] [ 0.635503 0.69738 0.63807 ] [ 0.581794 0.933532 0.59652 ] [ 0.393146 0.775732 0.164493 ] [ 0.469219 0.406414 0.123824 ] [ 0.758036 0.347218 0.681428 ] [ 0.764171 0.171777 0.344219 ] [ 0.953008 0.586733 0.431935 ] [ 0.898757 0.814385 0.371118 ] [ 0.852457 0.504558 0.087436 ] [ 0.880715 0.30557 0.180059 ] [ 0.985502 0.90115 0.146192 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.23599088 "source-unit" "angstrom" } "b" { "source-value" 9.12560771 "source-unit" "angstrom" } "c" { "source-value" 11.41365041 "source-unit" "angstrom" } "alpha" { "source-value" 113.2592677 "source-unit" "degree" } "beta" { "source-value" 103.0023701 "source-unit" "degree" } "gamma" { "source-value" 89.56189704 "source-unit" "degree" } }