{ "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" [ [ 0.869476 0.421074 0.314794 ] [ 0.630524 0.921074 0.185206 ] [ 0.130524 0.578926 0.685206 ] [ 0.369476 0.078926 0.814794 ] [ 0.885674 0.898604 0.810556 ] [ 0.614326 0.398604 0.689444 ] [ 0.114326 0.101396 0.189444 ] [ 0.385674 0.601396 0.310556 ] [ 0.717156 0.151897 0.52404 ] [ 0.217156 0.348103 0.02404 ] [ 0.282844 0.848103 0.47596 ] [ 0.782844 0.651897 0.97596 ] [ 0.75726 0.525166 0.515113 ] [ 0.809544 0.27827 0.487485 ] [ 0.512497 0.827171 0.384611 ] [ 0.012497 0.672829 0.884611 ] [ 0.690456 0.77827 0.012515 ] [ 0.190456 0.72173 0.512515 ] [ 0.547877 0.581554 0.839111 ] [ 0.74274 0.025166 0.984887 ] [ 0.487503 0.172829 0.615389 ] [ 0.607405 0.082658 0.332725 ] [ 0.892595 0.582658 0.167275 ] [ 0.047877 0.918446 0.339111 ] [ 0.24274 0.474834 0.484887 ] [ 0.25726 0.974834 0.015113 ] [ 0.452123 0.418446 0.160889 ] [ 0.107405 0.417342 0.832725 ] [ 0.392595 0.917342 0.667275 ] [ 0.309544 0.22173 0.987485 ] [ 0.987503 0.327171 0.115389 ] [ 0.952123 0.081554 0.660889 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Bi" "Bi" "Bi" "Bi" "P" "P" "P" "P" "O" "O" "O" "O" "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" 5.24684092284 "source-unit" "angstrom" } "b" { "source-value" 11.30940123 "source-unit" "angstrom" } "c" { "source-value" 7.30169415578 "source-unit" "angstrom" } "beta" { "source-value" 107.448081043 "source-unit" "degree" } }