{ "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" [ [ 0.708641 0.341275 0.21734 ] [ 0.291359 0.658725 0.78266 ] [ 0.208641 0.158725 0.71734 ] [ 0.791359 0.841275 0.28266 ] [ 0.205714 0.14202 0.380752 ] [ 0.294286 0.64202 0.119248 ] [ 0.794286 0.85798 0.619248 ] [ 0.705714 0.35798 0.880752 ] [ 0.325451 0.818564 0.494667 ] [ 0.746899 0.966843 0.842893 ] [ 0.825451 0.681436 0.994667 ] [ 0.246899 0.533157 0.342893 ] [ 0.674549 0.181436 0.505333 ] [ 0.253101 0.033157 0.157107 ] [ 0.753101 0.466843 0.657107 ] [ 0.174549 0.318564 0.005333 ] [ 0.037112 0.44632 0.695285 ] [ 0.2092 0.84067 0.610477 ] [ 0.782879 0.891242 0.969776 ] [ 0.7908 0.15933 0.389523 ] [ 0.217121 0.108758 0.030224 ] [ 0.122795 0.648145 0.982025 ] [ 0.328387 0.407978 0.106642 ] [ 0.146716 0.842563 0.152714 ] [ 0.828387 0.092022 0.606642 ] [ 0.877205 0.351855 0.017975 ] [ 0.561349 0.369181 0.734584 ] [ 0.061349 0.130819 0.234584 ] [ 0.853284 0.157437 0.847286 ] [ 0.438651 0.630819 0.265416 ] [ 0.282879 0.608758 0.469776 ] [ 0.671613 0.592022 0.893358 ] [ 0.622795 0.851855 0.482025 ] [ 0.7092 0.65933 0.110477 ] [ 0.646716 0.657437 0.652714 ] [ 0.962888 0.55368 0.304715 ] [ 0.938651 0.869181 0.765416 ] [ 0.537112 0.05368 0.195285 ] [ 0.171613 0.907978 0.393358 ] [ 0.377205 0.148145 0.517975 ] [ 0.2908 0.34067 0.889523 ] [ 0.353284 0.342563 0.347286 ] [ 0.717121 0.391242 0.530224 ] [ 0.462888 0.94632 0.804715 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cu" "Cu" "Cu" "Cu" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.71585669623 "source-unit" "angstrom" } "b" { "source-value" 8.38065759 "source-unit" "angstrom" } "c" { "source-value" 13.0552759659 "source-unit" "angstrom" } "beta" { "source-value" 92.2377113732 "source-unit" "degree" } }