{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.631961 0.443416 0.380539 ] [ 0.864828 0.556376 0.118734 ] [ 0.298686 0.571916 0.368201 ] [ 0.948586 0.586155 0.390835 ] [ 0.364828 0.943624 0.618734 ] [ 0.337269 0.769708 0.055822 ] [ 0.201314 0.071916 0.131799 ] [ 0.868039 0.943416 0.119461 ] [ 0.904083 0.682884 0.709697 ] [ 0.792293 0.537658 0.867709 ] [ 0.837269 0.730292 0.555822 ] [ 0.051414 0.413845 0.609165 ] [ 0.135172 0.443624 0.881266 ] [ 0.404083 0.817116 0.209697 ] [ 0.952556 0.014884 0.347512 ] [ 0.551414 0.086155 0.109165 ] [ 0.368039 0.556584 0.619461 ] [ 0.047444 0.985116 0.652488 ] [ 0.131961 0.056584 0.880539 ] [ 0.707707 0.037658 0.632291 ] [ 0.162731 0.269708 0.444178 ] [ 0.095917 0.317116 0.290303 ] [ 0.635172 0.056376 0.381266 ] [ 0.292293 0.962342 0.367709 ] [ 0.701314 0.428084 0.631799 ] [ 0.662731 0.230292 0.944178 ] [ 0.207707 0.462342 0.132291 ] [ 0.547444 0.514884 0.152488 ] [ 0.798686 0.928084 0.868201 ] [ 0.452556 0.485116 0.847512 ] [ 0.448586 0.913845 0.890835 ] [ 0.595917 0.182884 0.790303 ] [ 0.76462 0.243863 0.233193 ] [ 0.481373 0.240708 0.525542 ] [ 0.85394 0.251898 0.489054 ] [ 0.35394 0.248102 0.989054 ] [ 0.39346 0.246132 0.251884 ] [ 0.018627 0.740708 0.974458 ] [ 0.23538 0.756137 0.766807 ] [ 0.73538 0.743863 0.266807 ] [ 0.60654 0.753868 0.748116 ] [ 0.10654 0.746132 0.248116 ] [ 0.89346 0.253868 0.751884 ] [ 0.981373 0.259292 0.025542 ] [ 0.518627 0.759292 0.474458 ] [ 0.14606 0.748102 0.510946 ] [ 0.26462 0.256137 0.733193 ] [ 0.64606 0.751898 0.010946 ] [ 0.8345 0.088073 0.431833 ] [ 0.520584 0.073949 0.580356 ] [ 0.739836 0.731375 0.934152 ] [ 0.773447 0.744033 0.787944 ] [ 0.260164 0.268625 0.065848 ] [ 0.63844 0.389669 0.864197 ] [ 0.815911 0.430647 0.445442 ] [ 0.338278 0.749085 0.691618 ] [ 0.772105 0.589823 0.327775 ] [ 0.020584 0.426051 0.080356 ] [ 0.273447 0.755967 0.287944 ] [ 0.978875 0.735456 0.479696 ] [ 0.239836 0.768625 0.434152 ] [ 0.084145 0.552977 0.216112 ] [ 0.597114 0.606262 0.684038 ] [ 0.015008 0.089666 0.079338 ] [ 0.187693 0.726612 0.989263 ] [ 0.993871 0.216225 0.678068 ] [ 0.620068 0.042412 0.876887 ] [ 0.838278 0.750915 0.191618 ] [ 0.42995 0.752535 0.554192 ] [ 0.760164 0.231375 0.565848 ] [ 0.021125 0.264544 0.520304 ] [ 0.902886 0.106262 0.815962 ] [ 0.312307 0.226612 0.510737 ] [ 0.879932 0.542412 0.623113 ] [ 0.573573 0.700291 0.233557 ] [ 0.13844 0.110331 0.364197 ] [ 0.24776 0.576777 0.813132 ] [ 0.926427 0.200291 0.266443 ] [ 0.727895 0.089823 0.172225 ] [ 0.1655 0.911927 0.568167 ] [ 0.687693 0.773388 0.489263 ] [ 0.506129 0.716225 0.821932 ] [ 0.36156 0.610331 0.135803 ] [ 0.74776 0.923223 0.313132 ] [ 0.584145 0.947023 0.716112 ] [ 0.120068 0.457588 0.376887 ] [ 0.426427 0.299709 0.766443 ] [ 0.6655 0.588073 0.068167 ] [ 0.3345 0.411927 0.931833 ] [ 0.097114 0.893738 0.184038 ] [ 0.227895 0.410177 0.672225 ] [ 0.984992 0.910334 0.920662 ] [ 0.726553 0.244033 0.712056 ] [ 0.86156 0.889669 0.635803 ] [ 0.226553 0.255967 0.212056 ] [ 0.92995 0.747465 0.054192 ] [ 0.402886 0.393738 0.315962 ] [ 0.315911 0.069353 0.945442 ] [ 0.493871 0.283775 0.178068 ] [ 0.073573 0.799709 0.733557 ] [ 0.07005 0.252535 0.945808 ] [ 0.415855 0.052977 0.283888 ] [ 0.75224 0.423223 0.186868 ] [ 0.006129 0.783775 0.321932 ] [ 0.184089 0.569353 0.554558 ] [ 0.484992 0.589666 0.420662 ] [ 0.379932 0.957588 0.123113 ] [ 0.25224 0.076777 0.686868 ] [ 0.272105 0.910177 0.827775 ] [ 0.684089 0.930647 0.054558 ] [ 0.57005 0.247465 0.445808 ] [ 0.515008 0.410334 0.579338 ] [ 0.661722 0.250915 0.308382 ] [ 0.478875 0.764544 0.979696 ] [ 0.915855 0.447023 0.783888 ] [ 0.161722 0.249085 0.808382 ] [ 0.479416 0.926051 0.419644 ] [ 0.979416 0.573949 0.919644 ] [ 0.812307 0.273388 0.010737 ] [ 0.521125 0.235456 0.020304 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "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" "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" "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" 9.8927429745 "source-unit" "angstrom" } "b" { "source-value" 8.3161342 "source-unit" "angstrom" } "c" { "source-value" 18.2890892191 "source-unit" "angstrom" } "beta" { "source-value" 91.5273254257 "source-unit" "degree" } }