{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -3.079343e-11 8.117009e-10 3.2404091e-10 ] [ 8.591144600000001e-10 1.4142836e-10 -1.3556994e-10 ] [ 1.0845883e-10 5.961633e-11 1.620405e-10 ] [ 7.5180214e-10 -2.875609e-11 5.7135702e-10 ] [ 3.6035184e-10 6.6165516e-10 -2.7987633e-10 ] [ 7.390504800000001e-10 7.2381787e-10 4.1874406e-10 ] [ 2.1286968e-10 3.7646847e-10 8.6387927e-10 ] ] "source-value" [ [ -0.3079343 8.117009 3.2404091 ] [ 8.5911446 1.4142836 -1.3556994 ] [ 1.0845883 0.5961633 1.620405 ] [ 7.5180214 -0.2875609 5.7135702 ] [ 3.6035184 6.6165516 -2.7987633 ] [ 7.3905048 7.2381787 4.1874406 ] [ 2.1286968 3.7646847 8.6387927 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -4.8065298624e-16 4.8065298624e-16 0.0 ] [ 4.8065298624e-16 -3.2043532416e-16 -4.8065298624e-16 ] [ 0.0 0.0 0.0 ] [ 3.2043532416e-16 -4.8065298624e-16 3.2043532416e-16 ] [ 0.0 3.2043532416e-16 -6.408706483200001e-16 ] [ 0.0 0.0 0.0 ] [ -1.6021766208e-16 0.0 6.408706483200001e-16 ] ] "source-value" [ [ -3e-07 3e-07 0.0 ] [ 3e-07 -2e-07 -3e-07 ] [ 0.0 0.0 0.0 ] [ 2e-07 -3e-07 2e-07 ] [ -0.0 2e-07 -4e-07 ] [ 0.0 0.0 0.0 ] [ -1e-07 -0.0 4e-07 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 5.542657761492003e-31 "source-value" 3.4594549e-12 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.166962773441314e-08 1.102009251492786e-08 1.821410458707168e-10 ] [ 9.09673603849217e-09 -4.994378982917641e-09 -9.00783526324553e-09 ] [ -9.816218604235359e-09 -1.13826485817957e-08 -2.97909409807499e-09 ] [ 7.839738276930821e-09 -1.002601642293432e-08 6.532503786771299e-09 ] [ -9.207656167909113e-10 6.350614923500696e-09 -1.374934479293191e-08 ] [ 1.063347191543326e-08 1.004095639948796e-08 4.575072698617425e-09 ] [ -5.163334275416836e-09 -1.008619850268845e-09 1.444655630255767e-08 ] ] "source-value" [ [ -7.2836088 6.8782008 0.1136835 ] [ 5.6777361 -3.1172462 -5.6222486 ] [ -6.1268018 -7.1044905 -1.8594043 ] [ 4.8931798 -6.2577473 4.0772682 ] [ -0.5746967 3.9637421 -8.5816661 ] [ 6.6368912 6.2670721 2.8555358 ] [ -3.2226998 -0.629531 9.0168313 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 9.245604041608085e-18 "source-value" 57.706522 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] "source-value" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] } "instance-id" 1 }