{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.223645 0.1945873 1.126976 ] [ 0.7288277 2.388611 0.0814776 ] [ 2.404153 0.5300895 0.5572584 ] [ 2.145602 0.6403931 2.690423 ] [ 2.26761 2.998114 1.480003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.23645e-11 1.945873e-11 1.126976e-10 ] [ 7.288277e-11 2.388611e-10 8.14776e-12 ] [ 2.404153e-10 5.300895e-11 5.572584000000001e-11 ] [ 2.145602e-10 6.403931000000001e-11 2.690423e-10 ] [ 2.26761e-10 2.998114e-10 1.480003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.590234 -2.568309 0.0257898 ] [ -4.6747001 2.6420073 -3.9795952 ] [ 6.9708139 -4.5038518 -6.6774542 ] [ 1.502222 -0.0827064 7.4503432 ] [ 2.7918982 4.5128599 3.1809164 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.055871884040127e-08 -4.114884634790228e-09 4.131981461510785e-11 ] [ -7.489695209471422e-09 4.232962328042932e-09 -6.3760143896879e-09 ] [ 1.116847505852767e-08 -7.215966057507997e-09 -1.069846100570277e-08 ] [ 2.406824967651418e-09 -1.325102604705331e-10 1.193676569197626e-08 ] [ 4.473114023693602e-09 7.230398624725826e-09 5.096389888799302e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.1786172 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.150141264751276e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1114026 0.5650104 1.5598514 ] [ 0.9172176 2.0662414 -0.1497983 ] [ 2.7990499 0.4457772 0.1099253 ] [ 2.1907176 0.6344765 2.5242533 ] [ 1.9742553 3.0402893 1.8919063 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.114026e-11 5.650104e-11 1.5598514e-10 ] [ 9.172176e-11 2.0662414e-10 -1.497983e-11 ] [ 2.7990499e-10 4.457772e-11 1.099253e-11 ] [ 2.1907176e-10 6.344765e-11 2.5242533e-10 ] [ 1.9742553e-10 3.0402893e-10 1.8919063e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.6e-06 5.1e-06 -3.3e-06 ] [ 5.8e-06 -7.7e-06 1.62e-05 ] [ -6.2e-06 4.1e-06 6.5e-06 ] [ -6.5e-06 7.3e-06 -1.49e-05 ] [ -2.7e-06 -8.8e-06 -4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.538089555968e-14 8.17110076608e-15 -5.28718284864e-15 ] [ 9.292624400640001e-15 -1.233675998016e-14 2.595526125696e-14 ] [ -9.93349504896e-15 6.568924145279999e-15 1.04141480352e-14 ] [ -1.04141480352e-14 1.169588933184e-14 -2.387243164992e-14 ] [ -4.32587687616e-15 -1.409915426304e-14 -7.2097947936e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.458486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.835851837896411e-18 } }