{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0732201 0.0503982 -0.0779413 ] [ 0.0618661 -0.7839438 0.7557809 ] [ -3.0307682 -0.1409488 2.2547955 ] [ -0.7459947 1.4524381 -0.4367221 ] [ 0.2882546 -2.5503905 -4.0616478 ] [ 3.6322106 -4.1445592 3.7294251 ] [ -0.2787885 6.1170059 -2.1636902 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.173115323926381e-10 8.074681777040256e-11 -1.248757286547591e-10 ] [ 9.912041904007489e-11 -1.256016428381111e-09 1.210894488427183e-09 ] [ -4.855825953104098e-09 -2.258248720898151e-10 3.612580634785047e-09 ] [ -1.19521526758071e-09 2.327062366979172e-09 -6.997059384066797e-10 ] [ 4.618347809580557e-10 -4.086176033010422e-09 -6.507477147083755e-09 ] [ 5.81944290514194e-09 -6.640315853761551e-09 5.975197704244702e-09 ] [ -4.466684168479008e-10 9.800523842275663e-09 -3.466613853094076e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.4621618 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.516005441818685e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9531271 1.8132253 2.5359124 ] [ 1.6143369 1.0737001 4.6879566 ] [ 2.1920567 3.1783525 5.4167995 ] [ 1.4270831 4.0404226 3.3813362 ] [ 4.1621914 2.5793162 2.6038325 ] [ 4.3684364 2.8403207 4.8528785 ] [ 3.3740014 4.7280396 2.3666054 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9531271e-10 1.8132253e-10 2.5359124e-10 ] [ 1.6143369e-10 1.0737001e-10 4.6879566e-10 ] [ 2.1920567e-10 3.1783525e-10 5.4167995e-10 ] [ 1.4270831e-10 4.0404226e-10 3.3813362e-10 ] [ 4.1621914e-10 2.5793162e-10 2.6038325e-10 ] [ 4.3684364e-10 2.8403207e-10 4.8528785e-10 ] [ 3.3740014e-10 4.7280396e-10 2.3666054e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8e-06 -2.06e-05 -1.55e-05 ] [ 2.6e-06 -9e-06 2.63e-05 ] [ 6.2e-06 -8e-06 3.3e-05 ] [ -5e-07 7e-07 -1.5e-05 ] [ 1.6e-06 -3.3e-06 -4.46e-05 ] [ -3.65e-05 1.99e-05 1.7e-06 ] [ 3.47e-05 2.01e-05 1.41e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.28174129664e-14 -3.300483838848e-14 -2.48337376224e-14 ] [ 4.16565921408e-15 -1.44195895872e-14 4.213724512704e-14 ] [ 9.93349504896e-15 -1.28174129664e-14 5.28718284864e-14 ] [ -8.010883104e-16 1.12152363456e-15 -2.4032649312e-14 ] [ 2.56348259328e-15 -5.28718284864e-15 -7.145707728768e-14 ] [ -5.84794466592e-14 3.188331475392e-14 2.72370025536e-15 ] [ 5.559552874176001e-14 3.220375007808e-14 2.259069035328e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }