{ "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" [ [ 3.034718 3.53714 2.04977 ] [ 2.090115 3.249613 4.258758 ] [ 4.260617 1.92046 3.281861 ] [ 5.152468 4.155846 3.194292 ] [ 3.505339 5.178097 3.977293 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.034718e-10 3.53714e-10 2.04977e-10 ] [ 2.090115e-10 3.249613e-10 4.258758e-10 ] [ 4.260617e-10 1.92046e-10 3.281861e-10 ] [ 5.152468e-10 4.155846e-10 3.194292e-10 ] [ 3.505339e-10 5.178097e-10 3.977293e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.298513 3.0483035 -18.2282335 ] [ -3.6653195 -3.7082735 6.1767218 ] [ 3.3100098 -10.6804031 6.2787351 ] [ 51.7435022 -26.5075072 -23.2010299 ] [ -46.0896795 37.8478803 28.9738065 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.48915365360487e-09 4.883920600802813e-09 -2.920484955218336e-08 ] [ -5.872489210662345e-09 -5.941309105232188e-09 9.896199261145694e-09 ] [ 5.303220316178884e-09 -1.711189214753984e-08 1.005964258541635e-08 ] [ 8.290222950315337e-08 -4.246970831152768e-08 -3.717214768426176e-08 ] [ -7.384380695506505e-08 6.06389889634969e-08 4.642115538988307e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.4991752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.208473318323164e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.0024679 3.7112595 1.8514233 ] [ 2.0999745 3.0711831 4.3630454 ] [ 4.1929655 1.8087025 3.4311025 ] [ 5.4204217 4.0937658 3.0922324 ] [ 3.3274275 5.3562451 4.0241704 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0024679e-10 3.7112595e-10 1.8514233e-10 ] [ 2.0999745e-10 3.0711831e-10 4.3630454e-10 ] [ 4.1929655e-10 1.8087025e-10 3.4311025e-10 ] [ 5.420421700000001e-10 4.0937658e-10 3.0922324e-10 ] [ 3.3274275e-10 5.3562451e-10 4.0241704e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.3e-06 1.8e-06 1.16e-05 ] [ 4.1e-06 4.5e-06 -1.19e-05 ] [ 9.7e-06 4.5e-06 5e-07 ] [ -7.5e-06 -1.19e-05 4e-07 ] [ -1.9e-06 1e-06 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.889359469440001e-15 2.88391791744e-15 1.858524880128e-14 ] [ 6.568924145279999e-15 7.2097947936e-15 -1.906590178752e-14 ] [ 1.554111322176e-14 7.2097947936e-15 8.010883104e-16 ] [ -1.2016324656e-14 -1.906590178752e-14 6.408706483200001e-16 ] [ -3.04413557952e-15 1.6021766208e-15 -9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -16.806069 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.692629083935164e-18 } }