{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6183618 -3.0491582 -4.6463945 ] [ -4.3336414 -2.2798675 1.2843675 ] [ 2.082967 1.9205695 2.0921872 ] [ -3.2899537 4.0192426 1.2864328 ] [ -0.1378942 0.0725232 -0.1181146 ] [ 3.4745314 -1.1868761 -0.8481364 ] [ 0.5856291 0.5035665 0.9496579 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.592901439955806e-09 -4.88528998116061e-09 -7.444344638913706e-09 ] [ -6.943258934010982e-09 -3.652750407021744e-09 2.057783581015344e-09 ] [ 3.337281029297914e-09 3.077091551521546e-09 3.352053418177014e-09 ] [ -5.271086901654456e-09 6.439536527043407e-09 2.061092556390282e-09 ] [ -2.209308633839194e-10 1.161949755056026e-10 -1.892404506951437e-10 ] [ 5.566812977315493e-09 -1.901585139206283e-09 -1.358864311329477e-09 ] [ 9.382812524801453e-10 8.068024733180833e-10 1.521519685138024e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.064525 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.894255962085712e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3620682 0.9337889 2.0866662 ] [ 0.7591103 1.3665023 3.8335172 ] [ 2.3443464 2.5493932 5.1870963 ] [ 2.0197431 3.2779004 2.8961801 ] [ 4.4559567 0.1444211 2.9815025 ] [ 4.2630414 2.5363249 2.3791642 ] [ 4.5232188 1.8291118 4.6849296 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3620682e-10 9.337889000000001e-11 2.0866662e-10 ] [ 7.591103e-11 1.3665023e-10 3.8335172e-10 ] [ 2.3443464e-10 2.5493932e-10 5.187096300000001e-10 ] [ 2.0197431e-10 3.2779004e-10 2.8961801e-10 ] [ 4.4559567e-10 1.444211e-11 2.9815025e-10 ] [ 4.2630414e-10 2.5363249e-10 2.3791642e-10 ] [ 4.5232188e-10 1.8291118e-10 4.684929600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.6e-06 -2e-05 -2.28e-05 ] [ 2.06e-05 1.08e-05 2.38e-05 ] [ -1.77e-05 -1.82e-05 -1.45e-05 ] [ 3.9e-06 2.6e-05 -6.5e-06 ] [ 1e-06 -5e-06 1.75e-05 ] [ -1.36e-05 1.18e-05 1.19e-05 ] [ 8.5e-06 -5.3e-06 -9.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.16565921408e-15 -3.2043532416e-14 -3.652962695424e-14 ] [ 3.300483838848e-14 1.730350750464e-14 3.813180357504e-14 ] [ -2.835852618816e-14 -2.915961449856e-14 -2.32315610016e-14 ] [ 6.24848882112e-15 4.16565921408e-14 -1.04141480352e-14 ] [ 1.6021766208e-15 -8.010883104e-15 2.8038090864e-14 ] [ -2.178960204288e-14 1.890568412544e-14 1.906590178752e-14 ] [ 1.36185012768e-14 -8.491536090240001e-15 -1.52206778976e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.811813 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.494637684586151e-18 } }