{ "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" [ [ 0.795642 0.004887 0.639189 ] [ 0.808206 0.346625 0.62376 ] [ 0.259733 0.999176 0.114288 ] [ 0.191794 0.846625 0.87624 ] [ 0.740267 0.499176 0.385712 ] [ 0.204358 0.504887 0.860811 ] [ 0.795642 0.495113 0.139189 ] [ 0.259733 0.500824 0.614288 ] [ 0.808206 0.153375 0.12376 ] [ 0.740267 0.000824 0.885712 ] [ 0.191794 0.653375 0.37624 ] [ 0.204358 0.995113 0.360811 ] [ 0.787279 0.667659 0.620892 ] [ 0.297922 0.338689 0.126265 ] [ 0.212721 0.167659 0.879108 ] [ 0.702078 0.838689 0.373735 ] [ 0.297922 0.161311 0.626265 ] [ 0.787279 0.832341 0.120892 ] [ 0.702078 0.661311 0.873735 ] [ 0.212721 0.332341 0.379108 ] [ 0.289134 0.664041 0.126335 ] [ 0.710866 0.164041 0.373665 ] [ 0.289134 0.835959 0.626335 ] [ 0.710866 0.335959 0.873665 ] [ 0.011419 0.673565 0.873924 ] [ 0.508979 0.32258 0.363001 ] [ 0.063955 0.019933 0.877523 ] [ 0.566102 0.997425 0.371539 ] [ 0.534594 0.689878 0.377426 ] [ 0.060742 0.323615 0.887148 ] [ 0.939258 0.823615 0.612852 ] [ 0.465406 0.189878 0.122574 ] [ 0.433898 0.497425 0.128461 ] [ 0.936045 0.519933 0.622477 ] [ 0.988581 0.173565 0.626076 ] [ 0.491021 0.82258 0.136999 ] [ 0.508979 0.17742 0.863001 ] [ 0.011419 0.826435 0.373924 ] [ 0.063955 0.480067 0.377523 ] [ 0.566102 0.502575 0.871539 ] [ 0.534594 0.810122 0.877426 ] [ 0.060742 0.176385 0.387148 ] [ 0.939258 0.676385 0.112852 ] [ 0.465406 0.310122 0.622574 ] [ 0.433898 0.002575 0.628461 ] [ 0.936045 0.980067 0.122477 ] [ 0.491021 0.67742 0.636999 ] [ 0.988581 0.326435 0.126076 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Fe" "Fe" "Fe" "Fe" "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" 5.88693868 "source-unit" "angstrom" } "b" { "source-value" 10.21703861 "source-unit" "angstrom" } "c" { "source-value" 9.97052973 "source-unit" "angstrom" } "beta" { "source-value" 125.56869165 "source-unit" "degree" } }