{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.007741 0.810981 1.851579 ] [ 2.28758 2.972606 1.775704 ] [ 2.775609 2.277586 3.884458 ] [ 3.461309 1.568578 0.4572952 ] [ 4.556331 2.173826 2.191246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007741e-10 8.10981e-11 1.851579e-10 ] [ 2.28758e-10 2.972606e-10 1.775704e-10 ] [ 2.775609000000001e-10 2.277586e-10 3.884458e-10 ] [ 3.461309e-10 1.568578e-10 4.572952e-11 ] [ 4.556331e-10 2.173826e-10 2.191246e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -22.7465922 -24.9266813 -1.6094992 ] [ -17.3580198 23.9476687 -2.5371063 ] [ -0.4408077 2.2118103 16.9410566 ] [ 7.9911295 -6.3875546 -18.8543635 ] [ 32.5542902 5.154757 6.0599124 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.644405822571164e-08 -3.993694601299255e-08 -2.578701989436303e-09 ] [ -2.781061350694349e-08 3.836839491380394e-08 -4.064892398344391e-09 ] [ -7.062517912086202e-10 3.543710752304634e-09 2.714256481616954e-08 ] [ 1.28032008586852e-08 -1.02339906442035e-08 -3.020802039976486e-08 ] [ 5.215772266517855e-08 8.258831151305147e-09 9.709049971376018e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 13.670546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.190262919477096e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9750069 0.4790461 1.6057271 ] [ 1.4570405 4.1978642 2.6988986 ] [ 2.6421337 2.2228188 3.1734206 ] [ 4.1734761 0.5803513 0.5570087 ] [ 4.8409128 2.3234966 2.1252272 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9750069e-10 4.790461e-11 1.6057271e-10 ] [ 1.4570405e-10 4.1978642e-10 2.6988986e-10 ] [ 2.6421337e-10 2.2228188e-10 3.1734206e-10 ] [ 4.1734761e-10 5.803513e-11 5.570087e-11 ] [ 4.8409128e-10 2.3234966e-10 2.1252272e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.1e-06 -1.53e-05 -1e-06 ] [ -2.5e-06 4.1e-06 6.5e-06 ] [ 9.6e-06 8e-06 -1.73e-05 ] [ -5.3e-06 1.9e-06 1e-07 ] [ 2.3e-06 1.3e-06 1.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.568924145279999e-15 -2.451330229824e-14 -1.6021766208e-15 ] [ -4.005441552e-15 6.568924145279999e-15 1.04141480352e-14 ] [ 1.538089555968e-14 1.28174129664e-14 -2.771765553984e-14 ] [ -8.491536090240001e-15 3.04413557952e-15 1.6021766208e-16 ] [ 3.68500622784e-15 2.08282960704e-15 1.890568412544e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.7587726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.563527730742363e-18 } }