{ "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" [ [ 0.489075 0.644843 0.609672 ] [ 0.510925 0.144843 0.890328 ] [ 0.510925 0.355157 0.390328 ] [ 0.489075 0.855157 0.109672 ] [ 0.871557 0.814911 0.994385 ] [ 0.128443 0.314911 0.505615 ] [ 0.128443 0.185089 0.005615 ] [ 0.871557 0.685089 0.494385 ] [ 0.125288 0.960712 0.713958 ] [ 0.874712 0.460712 0.786042 ] [ 0.874712 0.039288 0.286042 ] [ 0.125288 0.539288 0.213958 ] [ 0.973072 0.89744 0.728098 ] [ 0.026928 0.39744 0.771902 ] [ 0.026928 0.10256 0.271902 ] [ 0.973072 0.60256 0.228098 ] [ 0.355035 0.913154 0.705167 ] [ 0.644965 0.413154 0.794833 ] [ 0.644965 0.086846 0.294833 ] [ 0.355035 0.586846 0.205167 ] [ 0.997262 0.066331 0.736078 ] [ 0.002738 0.566331 0.763922 ] [ 0.002738 0.933669 0.263922 ] [ 0.997262 0.433669 0.236078 ] [ 0.304219 0.890181 0.819271 ] [ 0.695781 0.390181 0.680729 ] [ 0.695781 0.109819 0.180729 ] [ 0.304219 0.609819 0.319271 ] [ 0.595833 0.96453 0.607749 ] [ 0.404167 0.46453 0.892251 ] [ 0.404167 0.03547 0.392251 ] [ 0.595833 0.53547 0.107749 ] [ 0.629697 0.101253 0.535366 ] [ 0.370303 0.601253 0.964634 ] [ 0.370303 0.898747 0.464634 ] [ 0.629697 0.398747 0.035366 ] [ 0.743722 0.976666 0.557074 ] [ 0.256278 0.476666 0.942926 ] [ 0.256278 0.023334 0.442926 ] [ 0.743722 0.523334 0.057074 ] [ 0.70433 0.081632 0.657251 ] [ 0.29567 0.581632 0.842749 ] [ 0.29567 0.918368 0.342749 ] [ 0.70433 0.418368 0.157251 ] [ 0.000069 0.983231 0.617794 ] [ 0.999931 0.483231 0.882206 ] [ 0.999931 0.016769 0.382206 ] [ 0.000069 0.516769 0.117794 ] [ 0.186806 0.682453 0.49612 ] [ 0.813194 0.182453 0.00388 ] [ 0.813194 0.317547 0.50388 ] [ 0.186806 0.817547 0.99612 ] [ 0.735173 0.754398 0.765067 ] [ 0.264827 0.254398 0.734933 ] [ 0.264827 0.245602 0.234933 ] [ 0.735173 0.745602 0.265067 ] [ 0.173445 0.660395 0.617207 ] [ 0.826555 0.160395 0.882793 ] [ 0.826555 0.339605 0.382793 ] [ 0.173445 0.839605 0.117207 ] [ 0.620521 0.723801 0.835387 ] [ 0.379479 0.223801 0.664613 ] [ 0.379479 0.276199 0.164613 ] [ 0.620521 0.776199 0.335387 ] [ 0.669512 0.031286 0.58956 ] [ 0.330488 0.531286 0.91044 ] [ 0.330488 0.968714 0.41044 ] [ 0.669512 0.468714 0.08956 ] [ 0.023836 0.977755 0.698431 ] [ 0.976164 0.477755 0.801569 ] [ 0.976164 0.022245 0.301569 ] [ 0.023836 0.522245 0.198431 ] [ 0.847779 0.780843 0.811501 ] [ 0.152221 0.280843 0.688499 ] [ 0.152221 0.219157 0.188499 ] [ 0.847779 0.719157 0.311501 ] [ 0.083274 0.707274 0.437275 ] [ 0.916726 0.207274 0.062725 ] [ 0.916726 0.292726 0.562725 ] [ 0.083274 0.792726 0.937275 ] [ 0.276269 0.626547 0.674977 ] [ 0.723731 0.126547 0.825023 ] [ 0.723731 0.373453 0.325023 ] [ 0.276269 0.873453 0.174977 ] [ 0.51016 0.691027 0.788562 ] [ 0.48984 0.191027 0.711438 ] [ 0.48984 0.308973 0.211438 ] [ 0.51016 0.808973 0.288562 ] [ 0.710005 0.753935 0.666003 ] [ 0.289995 0.253935 0.833997 ] [ 0.289995 0.246065 0.333997 ] [ 0.710005 0.746065 0.166003 ] [ 0.642859 0.735221 0.934395 ] [ 0.357141 0.235221 0.565605 ] [ 0.357141 0.264779 0.065605 ] [ 0.642859 0.764779 0.434395 ] [ 0.300572 0.673066 0.463126 ] [ 0.699428 0.173066 0.036874 ] [ 0.699428 0.326934 0.536874 ] [ 0.300572 0.826934 0.963126 ] [ 0.060601 0.674693 0.649753 ] [ 0.939399 0.174693 0.850247 ] [ 0.939399 0.325307 0.350247 ] [ 0.060601 0.825307 0.149753 ] [ 0.293732 0.947523 0.755246 ] [ 0.706268 0.447523 0.744754 ] [ 0.706268 0.052477 0.244754 ] [ 0.293732 0.552477 0.255246 ] [ 0.448166 0.85735 0.602369 ] [ 0.551834 0.35735 0.897631 ] [ 0.551834 0.14265 0.397631 ] [ 0.448166 0.64265 0.102369 ] [ 0.88725 0.604409 0.009455 ] [ 0.11275 0.104409 0.490545 ] [ 0.11275 0.395591 0.990545 ] [ 0.88725 0.895591 0.509455 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "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" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "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" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.22449409 "source-unit" "angstrom" } "b" { "source-value" 9.87051395 "source-unit" "angstrom" } "c" { "source-value" 12.67229525 "source-unit" "angstrom" } "beta" { "source-value" 94.4139802 "source-unit" "degree" } }