{ "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" [ [ 0.76005 0.95612 0.75031 ] [ 0.23995 0.04388 0.24969 ] [ 0.76005 0.54388 0.25031 ] [ 0.23995 0.45612 0.74969 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.345205 0.023113 0.765534 ] [ 0.345205 0.476887 0.265534 ] [ 0.654795 0.976887 0.234466 ] [ 0.654795 0.523113 0.734466 ] [ 0.184624 0.193009 0.960998 ] [ 0.73255 0.224892 0.54371 ] [ 0.815376 0.806991 0.039002 ] [ 0.184624 0.306991 0.460998 ] [ 0.815376 0.693009 0.539002 ] [ 0.26745 0.775108 0.45629 ] [ 0.73255 0.275108 0.04371 ] [ 0.26745 0.724892 0.95629 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Li" "Li" "Al" "Al" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.33241334 "source-unit" "angstrom" } "b" { "source-value" 5.44490977 "source-unit" "angstrom" } "c" { "source-value" 9.26143138 "source-unit" "angstrom" } "beta" { "source-value" 125.04209426 "source-unit" "degree" } }