{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2100786 2.6915 2.714596 ] [ 1.703066 0.0721581 0.1101228 ] [ 2.026091 1.413329 2.796162 ] [ 1.827772 0.0799437 1.500255 ] [ 2.628484 2.60871 0.5510999 ] [ 1.843839 2.957574 1.991142 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.100786e-11 2.6915e-10 2.714596e-10 ] [ 1.703066e-10 7.215810000000001e-12 1.101228e-11 ] [ 2.026091e-10 1.413329e-10 2.796162e-10 ] [ 1.827772e-10 7.99437e-12 1.500255e-10 ] [ 2.628484e-10 2.60871e-10 5.510999e-11 ] [ 1.843839e-10 2.957574e-10 1.991142e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.3415857 1.4017527 3.8748424 ] [ -3.7380639 -0.0865639 -43.9398652 ] [ 5.7446407 -10.3373602 19.695194 ] [ 1.9250068 -14.9240537 36.363285 ] [ 8.901344 1.6237651 -20.4761439 ] [ 2.5086582 22.32246 4.4826877 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.45799299345396e-08 2.245855404083276e-09 6.208181902564562e-09 ] [ -5.98903858763647e-09 -1.386906567852691e-10 -7.039942474454352e-08 ] [ 9.203929024436146e-09 -1.656227683322841e-08 3.155517936892044e-08 ] [ 3.084200889841022e-09 -2.391096992570374e-08 5.826040508248732e-08 ] [ 1.426152525049835e-08 2.601558480890974e-09 -3.280639904071653e-08 ] [ 4.019313517618211e-09 3.576452353074317e-08 7.182057431287724e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 15.259095 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.444776526356618e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1688328 3.8117725 2.6784927 ] [ 2.2488336 0.2832883 -0.2661232 ] [ 2.0637148 0.9748783 3.2907531 ] [ 2.3231848 -0.6526429 1.7702179 ] [ 1.9434252 2.4892474 -0.0041166 ] [ 1.8290049 2.9166711 2.1941539 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.688328e-11 3.8117725e-10 2.6784927e-10 ] [ 2.2488336e-10 2.832883e-11 -2.661232e-11 ] [ 2.0637148e-10 9.748783e-11 3.2907531e-10 ] [ 2.3231848e-10 -6.526429000000001e-11 1.7702179e-10 ] [ 1.9434252e-10 2.4892474e-10 -4.1166e-13 ] [ 1.8290049e-10 2.9166711e-10 2.1941539e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-06 -1.6e-06 -1e-06 ] [ 1.1e-06 -5.1e-06 4e-07 ] [ -2e-07 -6e-07 4e-07 ] [ -6e-07 3.9e-06 -5.1e-06 ] [ -4e-07 -2.6e-06 7e-07 ] [ -3e-06 6e-06 4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.126965186560001e-15 -2.56348259328e-15 -1.6021766208e-15 ] [ 1.76239428288e-15 -8.17110076608e-15 6.408706483200001e-16 ] [ -3.2043532416e-16 -9.6130597248e-16 6.408706483200001e-16 ] [ -9.6130597248e-16 6.24848882112e-15 -8.17110076608e-15 ] [ -6.408706483200001e-16 -4.16565921408e-15 1.12152363456e-15 ] [ -4.8065298624e-15 9.6130597248e-15 7.370012455680001e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.762499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.724342427918338e-18 } }