{ "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" [ [ 0.462149 0.5 0.226121 ] [ 0.536971 0 0.778843 ] [ 0.967062 0 0.265684 ] [ 0.030334 0.5 0.724915 ] [ 0.111341 0 0.591622 ] [ 0.411614 0 0.094435 ] [ 0.576224 0.5 0.920773 ] [ 0.90342 0.5 0.391311 ] [ 0.152635 0 0.444282 ] [ 0.277057 0.803486 0.663898 ] [ 0.277057 0.196514 0.663898 ] [ 0.214294 0.5 0.379291 ] [ 0.264816 0.5 0.907957 ] [ 0.265379 0.799334 0.171717 ] [ 0.265379 0.200666 0.171717 ] [ 0.33031 0 0.949525 ] [ 0.672477 0.5 0.062787 ] [ 0.708657 0.29458 0.843937 ] [ 0.708657 0.70542 0.843937 ] [ 0.722139 0 0.111044 ] [ 0.809892 0 0.630264 ] [ 0.762145 0.296445 0.314767 ] [ 0.762145 0.703555 0.314767 ] [ 0.807842 0.5 0.532505 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Sb" "P" "P" "P" "P" "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" 4.8808552 "source-unit" "angstrom" } "b" { "source-value" 5.93931812 "source-unit" "angstrom" } "c" { "source-value" 10.17720626 "source-unit" "angstrom" } "beta" { "source-value" 90.22169354 "source-unit" "degree" } }