{ "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" [ [ 0.570045 0.853269 0.249429 ] [ 0.429955 0.353269 0.750571 ] [ 0.092096 0.658698 0.736092 ] [ 0.907904 0.158698 0.263908 ] [ 0.056575 0.66367 0.225926 ] [ 0.448478 0.087632 0.519498 ] [ 0.551522 0.587632 0.480502 ] [ 0.943425 0.16367 0.774074 ] [ 0.904389 0.405753 0.026903 ] [ 0.095611 0.905753 0.973097 ] [ 0.579282 0.838774 0.748245 ] [ 0.420718 0.338774 0.251755 ] [ 0.519188 0.157699 0.313451 ] [ 0.377614 0.660774 0.292846 ] [ 0.12579 0.120987 0.581961 ] [ 0.487383 0.432157 0.498039 ] [ 0.87421 0.620987 0.418039 ] [ 0.512617 0.932157 0.501961 ] [ 0.622386 0.160774 0.707154 ] [ 0.480812 0.657699 0.686549 ] [ 0.030375 0.319021 0.831162 ] [ 0.977285 0.835021 0.777071 ] [ 0.988292 0.0661 0.971637 ] [ 0.581022 0.400446 0.000622 ] [ 0.011708 0.5661 0.028363 ] [ 0.418978 0.900446 0.999378 ] [ 0.022715 0.335021 0.222929 ] [ 0.969625 0.819021 0.168838 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Si" "Si" "Si" "Si" "Si" "Si" "Ni" "Ni" "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" 4.9357374 "source-unit" "angstrom" } "b" { "source-value" 10.07986445 "source-unit" "angstrom" } "c" { "source-value" 6.77956019 "source-unit" "angstrom" } "beta" { "source-value" 90.57720257 "source-unit" "degree" } }