{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7607129 0.1029019 2.480933 ] [ 0.9158836 2.552597 0.2381701 ] [ 0.8989231 2.268448 2.632769 ] [ 2.109562 0.2713555 0.0459784 ] [ 2.969591 1.985029 0.1686784 ] [ 2.973458 2.362165 2.304699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.607129000000001e-11 1.029019e-11 2.480933e-10 ] [ 9.158836e-11 2.552597e-10 2.381701e-11 ] [ 8.989231e-11 2.268448e-10 2.632769e-10 ] [ 2.109562e-10 2.713555e-11 4.59784e-12 ] [ 2.969591e-10 1.985029e-10 1.686784e-11 ] [ 2.973458e-10 2.362165e-10 2.304699e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5884533 -2.4601583 -1.1546434 ] [ -3.8102279 0.9548376 0.2123235 ] [ -4.1197025 2.5845017 0.1655305 ] [ -6.0123939 -11.0670878 0.0465276 ] [ 8.6450025 9.5094371 -1.5643088 ] [ 4.7088685 0.4784696 2.2945706 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.428061196926086e-10 -3.941608111727073e-09 -1.849942660841023e-09 ] [ -6.104658061299881e-09 1.529818479380782e-09 3.401797477464288e-10 ] [ -6.600491030151311e-09 4.140828200157856e-09 2.652090971293344e-10 ] [ -9.632916941620535e-09 -1.773142933350091e-08 7.454543294193409e-11 ] [ 1.385082089225755e-08 1.523579779858815e-08 -2.506298987071703e-09 ] [ 7.544439021121565e-09 7.665928068835277e-10 3.676307370095029e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.948622 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.074597943997654e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8137337 -0.0487754 2.3199908 ] [ 0.801451 2.4708267 0.1951547 ] [ 0.8634647 2.2938063 2.4944502 ] [ 1.7918754 0.212849 0.231949 ] [ 3.1376552 2.1507844 0.1392582 ] [ 3.2199505 2.4630053 2.4904249 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.137337e-11 -4.877539999999999e-12 2.3199908e-10 ] [ 8.01451e-11 2.4708267e-10 1.951547e-11 ] [ 8.634647e-11 2.2938063e-10 2.4944502e-10 ] [ 1.7918754e-10 2.12849e-11 2.31949e-11 ] [ 3.1376552e-10 2.1507844e-10 1.392582e-11 ] [ 3.2199505e-10 2.4630053e-10 2.4904249e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0081755 0.0830826 0.1682232 ] [ -0.0810231 -0.3293705 -0.4292582 ] [ 0.1954679 -0.1385956 0.4481555 ] [ -0.3893935 0.1403225 -0.228496 ] [ 0.5094753 0.2298934 0.4118345 ] [ -0.2263511 0.0146676 -0.370459 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.30985949633504e-11 1.331129993152781e-10 2.695232781161625e-10 ] [ -1.298133165647405e-10 -5.277097146812065e-10 -6.877474523266905e-10 ] [ 3.131740994968723e-10 -2.220546300657485e-10 7.180242645829343e-10 ] [ -6.238771619914849e-10 2.24821428872208e-10 -3.660909491463168e-10 ] [ 8.162694145350663e-10 3.683298307562227e-10 6.598316075388576e-10 ] [ -3.626544405123629e-10 2.350008580324608e-11 -5.935407487649472e-10 ] ] } "relaxed-potential-energy" { "source-value" -18.054071 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.892581046646328e-18 } }