{ "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" [ [ 0.7955699 1.924478 0.0578634 ] [ 0.2789322 2.342777 2.34838 ] [ 2.533834 0.6960937 0.5593318 ] [ 1.694509 0.4311754 2.932881 ] [ 2.816233 2.726519 1.407602 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.955699e-11 1.924478e-10 5.786340000000001e-12 ] [ 2.789322e-11 2.342777e-10 2.34838e-10 ] [ 2.533834e-10 6.960937e-11 5.593318000000001e-11 ] [ 1.694509e-10 4.311754e-11 2.932881e-10 ] [ 2.816233e-10 2.726519e-10 1.407602e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.3448127 3.1185107 -3.5222817 ] [ -0.753109 1.3067644 1.3109247 ] [ 3.6202915 -6.2264802 -1.0338959 ] [ 1.2874422 -0.4676595 1.2340542 ] [ -0.8098119 2.2688647 2.0111988 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.358980753046451e-09 4.996404976418983e-09 -5.643317438105798e-09 ] [ -1.206613642655106e-09 2.093667387823029e-09 2.100332923273459e-09 ] [ 5.80034644956881e-09 -9.975921088503646e-09 -1.656483852968401e-09 ] [ 2.062709810465555e-09 -7.49273123568123e-10 1.977172804329563e-09 ] [ -1.297461704115144e-09 3.635122008047419e-09 3.222295723688839e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.85147 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.898814831255198e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8293515 2.1361902 -0.072323 ] [ 0.2346782 2.3518617 2.347683 ] [ 2.5422114 0.4064516 0.5027521 ] [ 1.9475454 0.6221512 2.9227464 ] [ 2.5652916 2.6043883 1.6051997 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.293515e-11 2.1361902e-10 -7.2323e-12 ] [ 2.346782e-11 2.3518617e-10 2.347683e-10 ] [ 2.5422114e-10 4.064516e-11 5.027521000000001e-11 ] [ 1.9475454e-10 6.221512e-11 2.9227464e-10 ] [ 2.5652916e-10 2.6043883e-10 1.6051997e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.3e-06 -6.1e-05 3.12e-05 ] [ -5.85e-05 5.36e-05 -8.8e-06 ] [ 8.1e-06 4.99e-05 -3.59e-05 ] [ -4e-07 -3.45e-05 1.25e-05 ] [ 5.81e-05 -7.9e-06 9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.16958894282e-14 -9.773277467399998e-14 4.998791098079999e-14 ] [ -9.372733308899998e-14 8.587666758239999e-14 -1.40991543792e-14 ] [ 1.29776307354e-14 7.994861403659999e-14 -5.751814116059999e-14 ] [ -6.408706536e-16 -5.527509387299999e-14 2.0027207925e-14 ] [ 9.308646243539999e-14 -1.26571954086e-14 1.4419589706e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.312367 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.293093998463268e-18 } }