{ "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" [ [ 0.927768 0.898245 0.697624 ] [ 0.572232 0.398245 0.802376 ] [ 0.427768 0.601755 0.197624 ] [ 0.072232 0.101755 0.302376 ] [ 0.755362 0.469513 0.607926 ] [ 0.744638 0.969513 0.892074 ] [ 0.755849 0.529945 0.116487 ] [ 0.744151 0.029945 0.383513 ] [ 0.255849 0.970055 0.616487 ] [ 0.244151 0.470055 0.883513 ] [ 0.255362 0.030487 0.107926 ] [ 0.244638 0.530487 0.392074 ] [ 0.036537 0.250656 0.509252 ] [ 0.110326 0.387764 0.145983 ] [ 0.111923 0.114606 0.856518 ] [ 0.389674 0.887764 0.354017 ] [ 0.388077 0.614606 0.643482 ] [ 0.463463 0.750656 0.990748 ] [ 0.536537 0.249344 0.009252 ] [ 0.611923 0.385394 0.356518 ] [ 0.963463 0.749344 0.490748 ] [ 0.889674 0.612236 0.854017 ] [ 0.610326 0.112236 0.645983 ] [ 0.888077 0.885394 0.143482 ] [ 0.730999 0.441497 0.450003 ] [ 0.062417 0.674234 0.394958 ] [ 0.066645 0.889738 0.106849 ] [ 0.064735 0.575564 0.81871 ] [ 0.096884 0.36181 0.414253 ] [ 0.160738 0.280949 0.817777 ] [ 0.141681 0.428418 0.022421 ] [ 0.127704 0.002492 0.752653 ] [ 0.942127 0.126012 0.438276 ] [ 0.937583 0.325766 0.605042 ] [ 0.933355 0.110262 0.893151 ] [ 0.935265 0.424436 0.18129 ] [ 0.903116 0.63819 0.585747 ] [ 0.874178 0.793654 0.836851 ] [ 0.858319 0.571582 0.977579 ] [ 0.872296 0.997508 0.247347 ] [ 0.839262 0.719051 0.182223 ] [ 0.813999 0.828013 0.437546 ] [ 0.771784 0.517357 0.776623 ] [ 0.769001 0.941497 0.049997 ] [ 0.728216 0.017357 0.723377 ] [ 0.057873 0.873988 0.561724 ] [ 0.686001 0.328013 0.062454 ] [ 0.660738 0.219051 0.317777 ] [ 0.641681 0.071582 0.522421 ] [ 0.625822 0.293654 0.663149 ] [ 0.627704 0.497508 0.252653 ] [ 0.596884 0.13819 0.914253 ] [ 0.566645 0.610262 0.606849 ] [ 0.562417 0.825766 0.894958 ] [ 0.564735 0.924436 0.31871 ] [ 0.557873 0.626012 0.061724 ] [ 0.442127 0.373988 0.938276 ] [ 0.435265 0.075564 0.68129 ] [ 0.437583 0.174234 0.105042 ] [ 0.433355 0.389738 0.393151 ] [ 0.403116 0.86181 0.085747 ] [ 0.372296 0.502492 0.747347 ] [ 0.374178 0.706346 0.336851 ] [ 0.358319 0.928418 0.477579 ] [ 0.339262 0.780949 0.682223 ] [ 0.313999 0.671987 0.937546 ] [ 0.269001 0.558503 0.549997 ] [ 0.271784 0.982643 0.276623 ] [ 0.230999 0.058503 0.950003 ] [ 0.228216 0.482643 0.223377 ] [ 0.186001 0.171987 0.562454 ] [ 0.125822 0.206346 0.163149 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" 8.28204191418 "source-unit" "angstrom" } "b" { "source-value" 8.51543761 "source-unit" "angstrom" } "c" { "source-value" 11.8110191503 "source-unit" "angstrom" } "beta" { "source-value" 90.417899641 "source-unit" "degree" } }