{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.927216 0 0.301503 ] [ 0.930695 0 0.80829 ] [ 0.065633 0.5 0.961976 ] [ 0.082626 0.5 0.456792 ] [ 0.077526 0 0.70364 ] [ 0.92203 0.5 0.546571 ] [ 0.939591 0.5 0.029222 ] [ 0.068581 0 0.190522 ] [ 0.427216 0.5 0.301503 ] [ 0.430695 0.5 0.80829 ] [ 0.565633 0 0.961976 ] [ 0.582626 0 0.456792 ] [ 0.577526 0.5 0.70364 ] [ 0.42203 0 0.546571 ] [ 0.439591 0 0.029222 ] [ 0.568581 0.5 0.190522 ] [ 0.752199 0 0.868115 ] [ 0.251587 0.5 0.377483 ] [ 0.752386 0.5 0.622947 ] [ 0.241401 0 0.129215 ] [ 0.252199 0.5 0.868115 ] [ 0.751587 0 0.377483 ] [ 0.252386 0 0.622947 ] [ 0.741401 0.5 0.129215 ] [ 0.174922 0.5 0.173015 ] [ 0.175175 0.5 0.66741 ] [ 0.828361 0 0.577772 ] [ 0.187456 0 0.925559 ] [ 0.82661 0.5 0.825691 ] [ 0.176357 0 0.420698 ] [ 0.826117 0.5 0.32531 ] [ 0.001943 0 0.999293 ] [ 0.674922 0 0.173015 ] [ 0.675175 0 0.66741 ] [ 0.328361 0.5 0.577772 ] [ 0.687456 0.5 0.925559 ] [ 0.32661 0 0.825691 ] [ 0.676357 0.5 0.420698 ] [ 0.326117 0 0.32531 ] [ 0.501943 0.5 0.999293 ] [ 0.828724 0 0.088887 ] [ 0.003786 0.5 0.740835 ] [ 0.999494 0.5 0.259655 ] [ 0.001088 0 0.499602 ] [ 0.328724 0.5 0.088887 ] [ 0.503786 0 0.740835 ] [ 0.499494 0 0.259655 ] [ 0.501088 0.5 0.499602 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 15.66159995 "source-unit" "angstrom" } "b" { "source-value" 3.02438502 "source-unit" "angstrom" } "c" { "source-value" 10.39391371 "source-unit" "angstrom" } "beta" { "source-value" 109.97841646 "source-unit" "degree" } }