{ "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" [ [ 1.3575213 3.4308054 -0.2622643 ] [ -3.0387398 1.7602709 -4.7914616 ] [ -4.9698298 4.3693411 0.1893942 ] [ -1.7618757 0.1393321 -2.7166782 ] [ 5.4493835 -4.2678132 4.4302708 ] [ 1.4457689 -0.8523869 -2.693297 ] [ 2.2907785 0.5626175 2.5251791 ] [ -0.7730069 -5.142167 3.3188571 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.174988889098023e-09 5.496756202394393e-09 -4.201937299304775e-10 ] [ -4.868597864254468e-09 2.820264882254575e-09 -7.676767754980962e-09 ] [ -7.96254511491514e-09 7.000456158720555e-09 3.034429593551194e-10 ] [ -2.822836055295635e-09 2.232346331469677e-10 -4.352598298277027e-09 ] [ 8.730874841473278e-09 -6.837790530981635e-09 7.098076299572913e-09 ] [ 2.316377130659733e-09 -1.365674363056187e-09 -4.315137486270778e-09 ] [ 3.670231756131293e-09 9.01412604952944e-10 4.045782917352785e-09 ] [ -1.238493582897084e-09 -8.238659747649274e-09 5.317395253396088e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.791853 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.530133767571034e-18 } }