{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.254705 0.001427 0.742641 ] [ 0.745295 0.501427 0.257359 ] [ 0.380239 0.656445 0.917746 ] [ 0.619761 0.156445 0.082254 ] [ 0.869858 0.842231 0.426983 ] [ 0.130142 0.342231 0.573017 ] [ 0.381284 0.641542 0.523509 ] [ 0.618716 0.141542 0.476491 ] [ 0.887841 0.855699 0.019713 ] [ 0.112159 0.355699 0.980287 ] [ 0.779593 0.486496 0.759887 ] [ 0.220407 0.986496 0.240113 ] [ 0.343938 0.462539 0.075275 ] [ 0.26943 0.797707 0.576531 ] [ 0.402113 0.166049 0.58 ] [ 0.504908 0.550509 0.702899 ] [ 0.656062 0.962539 0.924725 ] [ 0.773495 0.703304 0.075477 ] [ 0.495092 0.050509 0.297101 ] [ 0.597887 0.666049 0.42 ] [ 0.892591 0.332654 0.079941 ] [ 0.019495 0.943468 0.206887 ] [ 0.73057 0.297707 0.423469 ] [ 0.857063 0.04093 0.580464 ] [ 0.980505 0.443468 0.793113 ] [ 0.107409 0.832654 0.920059 ] [ 0.226505 0.203304 0.924523 ] [ 0.142937 0.54093 0.419536 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "H" "H" "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" 5.09596615 "source-unit" "angstrom" } "b" { "source-value" 8.61244328 "source-unit" "angstrom" } "c" { "source-value" 7.81385055 "source-unit" "angstrom" } "beta" { "source-value" 104.43084448 "source-unit" "degree" } }