{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.39854 0 0 ] "si-unit" "m" "si-value" [ 5.39854e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0197648 5.43736 0 ] "si-unit" "m" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0299081 -0.213673 5.1785 ] "si-unit" "m" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.051647 4.7384802 -1.2445501 ] [ -1.8454949 1.714974 -5.7658806 ] [ -1.2670876 1.1766057 3.0199979 ] [ -0.828937 0.6336128 -3.7152901 ] [ 5.0254808 -5.6722054 4.189497 ] [ 1.3479343 -1.6537528 -2.6573885 ] [ -0.0708295 -1.4840475 3.834041 ] [ -2.4127131 0.546333 2.3395734 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.27476159344576e-11 7.591882194563708e-09 -1.993989073634302e-09 ] [ -2.956808782585634e-09 2.747691248079859e-09 -9.237959095644277e-09 ] [ -2.030098129225582e-09 1.885130144440019e-09 4.838570030245096e-09 ] [ -1.32810348151609e-09 1.015159614799626e-09 -5.952550937709694e-09 ] [ 8.05170784603928e-09 -9.087874880255511e-09 6.712314146311739e-09 ] [ 2.159628821834413e-09 -2.649604072742539e-09 -4.257605727082781e-09 ] [ -1.134813689629536e-10 -2.377706208656688e-09 6.142810853388654e-09 ] [ -3.865592521517892e-09 8.753219597715263e-10 3.748409804125567e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.334883 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.738660399170337e-18 } }