{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.547289 0.615404 0.158924 ] [ 0.330597 0.665328 0.275011 ] [ 0.063717 0.644299 0.089198 ] [ 0.003712 0.349006 0.316584 ] [ 0.669709 0.336962 0.210006 ] [ 0.996288 0.849006 0.683416 ] [ 0.330291 0.836962 0.789994 ] [ 0.669403 0.165328 0.724989 ] [ 0.452711 0.115404 0.841076 ] [ 0.936283 0.144299 0.910802 ] [ 0.405074 0.927281 0.223054 ] [ 0.387719 0.002689 0.330998 ] [ 0.88629 0.083902 0.276478 ] [ 0.902987 0.003204 0.18061 ] [ 0.11371 0.583902 0.723522 ] [ 0.097013 0.503204 0.81939 ] [ 0.594926 0.427281 0.776946 ] [ 0.612281 0.502689 0.669002 ] [ 0.457261 0.85487 0.588253 ] [ 0.719388 0.796507 0.46896 ] [ 0.514575 0.891275 0.421165 ] [ 0.228664 0.202886 0.02477 ] [ 0.008912 0.110559 0.079617 ] [ 0.991088 0.610559 0.920383 ] [ 0.771336 0.702886 0.97523 ] [ 0.485425 0.391275 0.578835 ] [ 0.280612 0.296507 0.53104 ] [ 0.542739 0.35487 0.411747 ] [ 0.580705 0.83817 0.038896 ] [ 0.090555 0.164347 0.462532 ] [ 0.909445 0.664347 0.537468 ] [ 0.419295 0.33817 0.961104 ] [ 0.745068 0.811155 0.144249 ] [ 0.255588 0.192258 0.359633 ] [ 0.744412 0.692258 0.640367 ] [ 0.254932 0.311155 0.855751 ] [ 0.575338 0.790402 0.929654 ] [ 0.090343 0.209297 0.573643 ] [ 0.909657 0.709297 0.426357 ] [ 0.424662 0.290402 0.070346 ] [ 0.419829 0.91004 0.036722 ] [ 0.923142 0.09322 0.458221 ] [ 0.076858 0.59322 0.541779 ] [ 0.580171 0.41004 0.963278 ] [ 0.307288 0.624375 0.199189 ] [ 0.753334 0.365867 0.296129 ] [ 0.246666 0.865867 0.703871 ] [ 0.692712 0.124375 0.800811 ] [ 0.319065 0.942552 0.316148 ] [ 0.822686 0.063329 0.181869 ] [ 0.177314 0.563329 0.818131 ] [ 0.680935 0.442552 0.683852 ] [ 0.635582 0.85618 0.501281 ] [ 0.127394 0.143679 0.995564 ] [ 0.872606 0.643679 0.004436 ] [ 0.364418 0.35618 0.498719 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "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" 3.67617191179 "source-unit" "angstrom" } "b" { "source-value" 15.5198022117 "source-unit" "angstrom" } "c" { "source-value" 9.75483794637 "source-unit" "angstrom" } "beta" { "source-value" 91.0491720557 "source-unit" "degree" } }