{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.286919 -6.8449176 -5.0042863 ] [ -6.3660531 10.9087683 4.4063871 ] [ -0.3554329 -4.1636706 2.0889021 ] [ -1.002539 -1.3328841 -0.7109866 ] [ -0.1210114 0.5889913 -0.9229956 ] [ 1.0929398 -0.0726575 -0.8092363 ] [ 1.4651778 0.9163701 0.9522156 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.470578087650645e-09 -1.096676704037536e-08 -8.017750579706314e-09 ] [ -1.019954152762327e-08 1.74777736759799e-08 7.05981045197902e-09 ] [ -5.694662873348585e-10 -6.670935746992759e-09 3.346790135333531e-09 ] [ -1.606244560473726e-09 -2.135515760850119e-09 -1.139126117607104e-09 ] [ -1.938816375276276e-10 9.436680984892842e-10 -1.47880198360481e-09 ] [ 1.751082609928633e-09 -1.16410148784855e-10 -1.296539491244614e-09 ] [ 2.347473635815525e-09 1.468186762316243e-09 1.52561758485029e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.442592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.396787967879533e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4312976 1.3733601 2.0079932 ] [ 1.5669379 3.2951352 3.124264 ] [ 2.5319427 1.5195328 4.344406 ] [ 2.7677673 3.4858142 1.106976 ] [ 4.1020422 3.0467611 5.1075681 ] [ 4.467553 1.9743965 3.03198 ] [ 3.7418772 4.210483 3.1088586 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4312976e-10 1.3733601e-10 2.0079932e-10 ] [ 1.5669379e-10 3.2951352e-10 3.124264e-10 ] [ 2.5319427e-10 1.5195328e-10 4.344406e-10 ] [ 2.7677673e-10 3.4858142e-10 1.106976e-10 ] [ 4.1020422e-10 3.0467611e-10 5.107568100000001e-10 ] [ 4.467553e-10 1.9743965e-10 3.03198e-10 ] [ 3.7418772e-10 4.210483e-10 3.1088586e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.7e-06 8.4e-06 3.12e-05 ] [ 4.29e-05 5.3e-06 -1.7e-06 ] [ 3.3e-06 4.7e-06 -9e-06 ] [ 7.7e-06 -2.66e-05 -3.4e-06 ] [ -1.22e-05 -3.2e-05 7e-06 ] [ -3.74e-05 6.51e-05 -2.21e-05 ] [ -8.1e-06 -2.49e-05 -2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.9280535458e-15 1.34582837256e-14 4.998791098079999e-14 ] [ 6.873337759859999e-14 8.4915361602e-15 -2.7237002778e-15 ] [ 5.2871828922e-15 7.530230179799999e-15 -1.4419589706e-14 ] [ 1.23367600818e-14 -4.26178984644e-14 -5.4474005556e-15 ] [ -1.95465549348e-14 -5.126965228799999e-14 1.1215236438e-14 ] [ -5.99214061116e-14 1.043016988734e-13 -3.54081036114e-14 ] [ -1.29776307354e-14 -3.989419818659999e-14 -3.204353268e-15 ] ] } "relaxed-potential-energy" { "source-value" -30.311464 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.856431936313217e-18 } }