{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.780685 0.494933 0.272803 ] [ 0.219315 0.994933 0.727197 ] [ 0.387367 0.312127 0.508193 ] [ 0.612633 0.812127 0.491807 ] [ 0.766459 0.22877 0.896209 ] [ 0.233541 0.72877 0.103791 ] [ 0.721358 0.634756 0.487788 ] [ 0.859959 0.327978 0.086828 ] [ 0.140041 0.827978 0.913172 ] [ 0.02798 0.173805 0.828551 ] [ 0.570134 0.077159 0.906532 ] [ 0.581087 0.357428 0.730379 ] [ 0.417643 0.821331 0.633065 ] [ 0.278642 0.134756 0.512212 ] [ 0.429866 0.577159 0.093468 ] [ 0.854494 0.942114 0.538852 ] [ 0.97202 0.673805 0.171449 ] [ 0.582357 0.321331 0.366935 ] [ 0.418913 0.857428 0.269621 ] [ 0.145506 0.442114 0.461148 ] ] } "species" { "source-value" [ "Cr" "Cr" "P" "P" "P" "P" "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" 4.80452576602 "source-unit" "angstrom" } "b" { "source-value" 8.03824807 "source-unit" "angstrom" } "c" { "source-value" 6.97972885716 "source-unit" "angstrom" } "beta" { "source-value" 106.345544343 "source-unit" "degree" } }