{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39854e-10 0.0 0.0 ] "source-value" [ 5.39854 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] "source-value" [ 0.0197648 5.43736 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] "source-value" [ -0.0299081 -0.213673 5.1785 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.975377869571765e-09 1.03287307123623e-08 -1.678223133017962e-09 ] [ -7.439034705157051e-09 7.237964903817555e-09 -1.790910623465309e-08 ] [ -4.30714598950389e-09 3.551801584022012e-09 7.089574028899314e-09 ] [ -2.161000124804156e-09 2.409223426052756e-09 -8.9129038951982e-09 ] [ 1.498620527719942e-08 -1.535905693103252e-08 1.365692387543172e-08 ] [ 4.262416582822057e-09 -4.368770028216733e-09 -5.226130947198444e-09 ] [ -4.469403062204506e-10 -2.795642792163782e-09 7.391241616340926e-09 ] [ -6.869878603907694e-09 -1.004251035059248e-09 5.588624689395741e-09 ] ] "source-value" [ [ 1.2329339 6.4466867 -1.0474645 ] [ -4.6430803 4.5175824 -11.177985 ] [ -2.6883091 2.2168602 4.4249641 ] [ -1.3487902 1.503719 -5.5629971 ] [ 9.3536537 -9.5863694 8.5239815 ] [ 2.6603912 -2.7267718 -3.2618944 ] [ -0.2789582 -1.744903 4.6132502 ] [ -4.287841 -0.6268042 3.4881452 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.57946e-11 -2.85755e-11 3.780800000000001e-11 ] [ 1.35651e-10 1.53389e-10 1.4884e-10 ] [ 2.92057e-13 2.68505e-10 2.57873e-10 ] [ 1.38402e-10 4.097260000000001e-10 4.02157e-10 ] [ 2.45639e-10 4.43756e-11 2.59681e-10 ] [ 4.091370000000001e-10 1.38211e-10 4.21726e-10 ] [ 2.67291e-10 2.94824e-10 -1.6912e-11 ] [ 4.08439e-10 3.99712e-10 1.2513e-10 ] ] "source-value" [ [ 0.157946 -0.285755 0.37808 ] [ 1.35651 1.53389 1.4884 ] [ 0.00292057 2.68505 2.57873 ] [ 1.38402 4.09726 4.02157 ] [ 2.45639 0.443756 2.59681 ] [ 4.09137 1.38211 4.21726 ] [ 2.67291 2.94824 -0.16912 ] [ 4.08439 3.99712 1.2513 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.793281624140268e-18 "source-value" -29.917311 } }