{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.706404 0.5 0.009445 ] [ 0.659715 0.5 0.641628 ] [ 0.634095 0.5 0.349462 ] [ 0.207022 0.5 0.507942 ] [ 0.158135 0.5 0.143594 ] [ 0.133193 0.5 0.84877 ] [ 0.808425 0 0.819991 ] [ 0.36536 0 0.994609 ] [ 0.864307 0 0.495461 ] [ 0.824967 0 0.183283 ] [ 0.324436 0 0.682958 ] [ 0.311399 0 0.320156 ] [ 0.999869 0.5 0.333692 ] [ 0.000195 0 0.001092 ] [ 0.001119 0.5 0.665488 ] [ 0.498113 0.5 0.832271 ] [ 0.500229 0 0.499741 ] [ 0.500992 0.5 0.16803 ] [ 0.989195 0.5 0.568619 ] [ 0.981368 0.5 0.236749 ] [ 0.86367 0.5 0.391309 ] [ 0.861489 0.5 0.719596 ] [ 0.846463 0 0.041358 ] [ 0.651124 0.5 0.874124 ] [ 0.652774 0.5 0.210539 ] [ 0.640029 0 0.55439 ] [ 0.512067 0 0.402775 ] [ 0.489561 0.5 0.071172 ] [ 0.482991 0.5 0.735432 ] [ 0.360756 0.5 0.888418 ] [ 0.360902 0.5 0.222078 ] [ 0.34851 0 0.542127 ] [ 0.154795 0.5 0.372903 ] [ 0.152751 0.5 0.708517 ] [ 0.136745 0 0.058145 ] [ 0.016832 0 0.904137 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "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" 8.25501867 "source-unit" "angstrom" } "b" { "source-value" 3.15151286 "source-unit" "angstrom" } "c" { "source-value" 14.31610295 "source-unit" "angstrom" } "beta" { "source-value" 90.08907622 "source-unit" "degree" } }