{ "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" [ [ 0.994244 0.251995 0.998179 ] [ 0.994244 0.748005 0.998179 ] [ 0.502435 0.745303 0.502489 ] [ 0.502435 0.254697 0.502489 ] [ 0.547578 0.5 0.216373 ] [ 0.452443 0 0.781959 ] [ 0.045107 0 0.284919 ] [ 0.98388 0.5 0.721431 ] [ 0.916757 0 0.596032 ] [ 0.580323 0 0.094256 ] [ 0.416265 0.5 0.903829 ] [ 0.084658 0.5 0.407084 ] [ 0.805035 0 0.451695 ] [ 0.787123 0.201892 0.662627 ] [ 0.787123 0.798108 0.662627 ] [ 0.760839 0.5 0.398227 ] [ 0.737705 0.5 0.897562 ] [ 0.715681 0.198469 0.160743 ] [ 0.715681 0.801531 0.160743 ] [ 0.688188 0 0.949795 ] [ 0.30555 0.5 0.047234 ] [ 0.273982 0.694629 0.83397 ] [ 0.273982 0.305371 0.83397 ] [ 0.256687 0 0.101328 ] [ 0.240527 0 0.602542 ] [ 0.216553 0.698296 0.339175 ] [ 0.216553 0.301704 0.339175 ] [ 0.198415 0.5 0.551366 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Ni" "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" 4.78394829 "source-unit" "angstrom" } "b" { "source-value" 6.26996743 "source-unit" "angstrom" } "c" { "source-value" 10.20198873 "source-unit" "angstrom" } "beta" { "source-value" 90.44332531 "source-unit" "degree" } }