{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.195093 0.159519 0.326332 ] [ 0.992388 0.367586 0.253824 ] [ 0.814171 0.072663 0.299543 ] [ 0.992388 0.632414 0.753824 ] [ 0.195093 0.840481 0.826332 ] [ 0.814171 0.927337 0.799543 ] [ 0.695093 0.659519 0.326332 ] [ 0.492388 0.867586 0.253824 ] [ 0.314171 0.572663 0.299543 ] [ 0.492388 0.132414 0.753824 ] [ 0.695093 0.340481 0.826332 ] [ 0.314171 0.427337 0.799543 ] [ 0.104244 0.750445 0.143442 ] [ 0.90026 0.253467 0.857824 ] [ 0.90026 0.746533 0.357824 ] [ 0.104244 0.249555 0.643442 ] [ 0.604244 0.250445 0.143442 ] [ 0.40026 0.753467 0.857824 ] [ 0.40026 0.246533 0.357824 ] [ 0.604244 0.749555 0.643442 ] [ 0.860956 0.610979 0.958193 ] [ 0.998008 0.952794 0.745082 ] [ 0.998008 0.047206 0.245082 ] [ 0.860956 0.389021 0.458193 ] [ 0.141133 0.610607 0.543877 ] [ 0.141133 0.389393 0.043877 ] [ 0.360956 0.110979 0.958193 ] [ 0.498008 0.452794 0.745082 ] [ 0.498008 0.547206 0.245082 ] [ 0.360956 0.889021 0.458193 ] [ 0.641133 0.110607 0.543877 ] [ 0.641133 0.889393 0.043877 ] [ 0.912528 0.851881 0.578576 ] [ 0.084943 0.84346 0.902596 ] [ 0.084943 0.15654 0.402596 ] [ 0.117115 0.637883 0.349585 ] [ 0.049118 0.671951 0.556267 ] [ 0.934979 0.955291 0.304345 ] [ 0.117115 0.362117 0.849585 ] [ 0.891676 0.633531 0.158753 ] [ 0.934979 0.044709 0.804345 ] [ 0.243381 0.309396 0.207004 ] [ 0.049118 0.328049 0.056267 ] [ 0.764115 0.710253 0.813264 ] [ 0.15879 0.564581 0.078467 ] [ 0.954861 0.336102 0.446541 ] [ 0.060701 0.945334 0.193909 ] [ 0.060701 0.054666 0.693909 ] [ 0.15879 0.435419 0.578467 ] [ 0.954861 0.663898 0.946541 ] [ 0.243381 0.690604 0.707004 ] [ 0.837043 0.437212 0.918122 ] [ 0.891676 0.366469 0.658753 ] [ 0.912528 0.148119 0.078576 ] [ 0.837043 0.562788 0.418122 ] [ 0.764115 0.289747 0.313264 ] [ 0.412528 0.351881 0.578576 ] [ 0.584943 0.34346 0.902596 ] [ 0.584943 0.65654 0.402596 ] [ 0.617115 0.137883 0.349585 ] [ 0.549118 0.171951 0.556267 ] [ 0.434979 0.455291 0.304345 ] [ 0.617115 0.862117 0.849585 ] [ 0.391676 0.133531 0.158753 ] [ 0.434979 0.544709 0.804345 ] [ 0.743381 0.809396 0.207004 ] [ 0.549118 0.828049 0.056267 ] [ 0.264115 0.210253 0.813264 ] [ 0.65879 0.064581 0.078467 ] [ 0.454861 0.836102 0.446541 ] [ 0.560701 0.445334 0.193909 ] [ 0.560701 0.554666 0.693909 ] [ 0.65879 0.935419 0.578467 ] [ 0.454861 0.163898 0.946541 ] [ 0.743381 0.190604 0.707004 ] [ 0.337043 0.937212 0.918122 ] [ 0.391676 0.866469 0.658753 ] [ 0.412528 0.648119 0.078576 ] [ 0.337043 0.062788 0.418122 ] [ 0.264115 0.789747 0.313264 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 15.19083994 "source-unit" "angstrom" } "b" { "source-value" 8.72207791 "source-unit" "angstrom" } "c" { "source-value" 8.71305194 "source-unit" "angstrom" } "beta" { "source-value" 124.89682671 "source-unit" "degree" } }