{ "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" [ [ 0.248 0.75 0.091333 ] [ 0.773415 0.979076 0.26758 ] [ 0.773415 0.520924 0.26758 ] [ 0.226585 0.479076 0.73242 ] [ 0.226585 0.020924 0.73242 ] [ 0.752 0.25 0.908667 ] [ 0.20862 0.25 0.322354 ] [ 0.79138 0.75 0.677646 ] [ 0.289231 0.75 0.417709 ] [ 0.710769 0.25 0.582291 ] [ 0.29064 0.25 0.030345 ] [ 0.70936 0.75 0.969655 ] [ 0.651951 0.75 0.117088 ] [ 0.048285 0.25 0.070762 ] [ 0.480477 0.25 0.141137 ] [ 0.179541 0.945754 0.295033 ] [ 0.179541 0.554246 0.295033 ] [ 0.630298 0.75 0.444431 ] [ 0.828483 0.25 0.397021 ] [ 0.171517 0.75 0.602979 ] [ 0.369702 0.25 0.555569 ] [ 0.820459 0.445754 0.704967 ] [ 0.820459 0.054246 0.704967 ] [ 0.519523 0.75 0.858863 ] [ 0.951715 0.75 0.929238 ] [ 0.348049 0.25 0.882912 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "As" "As" "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" 5.06658086 "source-unit" "angstrom" } "b" { "source-value" 6.56126908 "source-unit" "angstrom" } "c" { "source-value" 8.45074029 "source-unit" "angstrom" } "beta" { "source-value" 93.68959385 "source-unit" "degree" } }