{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.243437 0.474295 0.240929 ] [ 0.243437 0.025705 0.240929 ] [ 0.756563 0.525705 0.759071 ] [ 0.756563 0.974295 0.759071 ] [ 0.766847 0.75 0.358149 ] [ 0.233153 0.25 0.641851 ] [ 0.722666 0.25 0.434642 ] [ 0.277334 0.75 0.565358 ] [ 0.729389 0.75 0.103353 ] [ 0.270611 0.25 0.896647 ] [ 0.293097 0.25 0.024831 ] [ 0.939421 0.75 0.171219 ] [ 0.542868 0.75 0.190057 ] [ 0.760608 0.062232 0.34535 ] [ 0.760608 0.437768 0.34535 ] [ 0.099053 0.75 0.438638 ] [ 0.450848 0.25 0.486095 ] [ 0.549152 0.75 0.513905 ] [ 0.900947 0.25 0.561362 ] [ 0.239392 0.562232 0.65465 ] [ 0.239392 0.937768 0.65465 ] [ 0.457132 0.25 0.809943 ] [ 0.060579 0.25 0.828781 ] [ 0.706903 0.75 0.975169 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ga" "Ga" "P" "P" "C" "C" "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" 5.48791225 "source-unit" "angstrom" } "b" { "source-value" 6.75370519 "source-unit" "angstrom" } "c" { "source-value" 9.68115119 "source-unit" "angstrom" } "beta" { "source-value" 90.63858581 "source-unit" "degree" } }