{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0641157 0.8384856 -2.940502 ] [ 1.4857642 -0.3113512 3.0425479 ] [ -2.3705814 3.38453 -1.4816529 ] [ 0.3322439 1.4520006 -0.6645388 ] [ -2.416057 -3.316197 -2.7503244 ] [ 1.1555546 -1.2877811 2.5833899 ] [ -0.2510401 -0.759687 2.2110803 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.307077944412554e-09 1.34340203626547e-09 -4.711203596630268e-09 ] [ 2.380456684873702e-09 -4.988396176078607e-10 4.874699153205768e-09 ] [ -3.798090128075007e-09 5.42261488307202e-09 -2.373869656078339e-09 ] [ 5.323134133690325e-10 2.32636143387398e-09 -1.064708537746399e-09 ] [ -3.870950071812138e-09 -5.313133347140897e-09 -4.406505489600069e-09 ] [ 1.851402579431216e-09 -2.063252788126817e-09 4.139046934291596e-09 ] [ -4.022105824170234e-10 -1.217152760553558e-09 3.54254119255771e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.121899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.864754294550796e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9731384 2.0556915 1.2121875 ] [ 2.0618529 1.720127 3.7523515 ] [ 2.2452257 4.0171233 2.6284797 ] [ 3.393787 0.2869419 2.0955976 ] [ 4.3341723 2.6701062 2.0001832 ] [ 4.5438789 1.1552235 4.0578688 ] [ 3.8340299 3.4606029 4.3872037 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9731384e-10 2.0556915e-10 1.2121875e-10 ] [ 2.0618529e-10 1.720127e-10 3.7523515e-10 ] [ 2.2452257e-10 4.0171233e-10 2.6284797e-10 ] [ 3.393787e-10 2.869419e-11 2.0955976e-10 ] [ 4.3341723e-10 2.6701062e-10 2.0001832e-10 ] [ 4.5438789e-10 1.1552235e-10 4.0578688e-10 ] [ 3.8340299e-10 3.4606029e-10 4.3872037e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.83e-05 9.8e-06 6.7e-06 ] [ 7.9e-06 2e-06 -7.3e-06 ] [ -1.33e-05 1.39e-05 -2.01e-05 ] [ 5.5e-06 -2.71e-05 -1.23e-05 ] [ -4.61e-05 -2.37e-05 -1.01e-05 ] [ 5.1e-06 -1.36e-05 -1.17e-05 ] [ 1.27e-05 3.87e-05 5.48e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.53415987422e-14 1.57013310132e-14 1.07345834478e-14 ] [ 1.26571954086e-14 3.204353268e-15 -1.16958894282e-14 ] [ -2.13089492322e-14 2.22702552126e-14 -3.22037503434e-14 ] [ 8.811971486999999e-15 -4.34189867814e-14 -1.97067725982e-14 ] [ -7.386034282739999e-14 -3.79715862258e-14 -1.61819840034e-14 ] [ 8.1711008334e-15 -2.17896022224e-14 -1.87454666178e-14 ] [ 2.03476432518e-14 6.200423573579999e-14 8.779927954319999e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }