{ "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" [ [ 0.988606 0.231598 0.153715 ] [ 0.988606 0.268402 0.653715 ] [ 0.321992 0.269934 0.300415 ] [ 0.321992 0.230066 0.800415 ] [ 0.678008 0.769934 0.199585 ] [ 0.678008 0.730066 0.699585 ] [ 0.011394 0.731598 0.346285 ] [ 0.011394 0.768402 0.846285 ] [ 0.500074 0.304625 0.086254 ] [ 0.499926 0.804625 0.413746 ] [ 0.500074 0.195375 0.586254 ] [ 0.499926 0.695375 0.913746 ] [ 0.235398 0.750731 0.112135 ] [ 0.235398 0.749269 0.612135 ] [ 0.764602 0.250731 0.387865 ] [ 0.764602 0.249269 0.887865 ] [ 0.022591 0.851015 0.170363 ] [ 0.022591 0.648985 0.670363 ] [ 0.249341 0.416039 0.135388 ] [ 0.247042 0.701996 0.45477 ] [ 0.249341 0.083961 0.635388 ] [ 0.416253 0.914233 0.190457 ] [ 0.247042 0.798004 0.95477 ] [ 0.416253 0.585767 0.690457 ] [ 0.583747 0.414233 0.309543 ] [ 0.752958 0.201996 0.04523 ] [ 0.583747 0.085767 0.809543 ] [ 0.750659 0.916039 0.364612 ] [ 0.752958 0.298004 0.54523 ] [ 0.750659 0.583961 0.864612 ] [ 0.977409 0.351015 0.329637 ] [ 0.977409 0.148985 0.829637 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "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" 6.97969758 "source-unit" "angstrom" } "b" { "source-value" 5.17407892 "source-unit" "angstrom" } "c" { "source-value" 10.90902839 "source-unit" "angstrom" } "beta" { "source-value" 91.46893465 "source-unit" "degree" } }