{ "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" [ [ 2.924097 1.394529 2.047948 ] [ 0.8517503 3.0229 2.150903 ] [ 3.084941 2.892354 0.5199401 ] [ 2.119748 2.11188 4.047438 ] [ 4.365389 1.647318 4.564937 ] [ 3.247696 3.944508 2.731386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.924097e-10 1.394529e-10 2.047948e-10 ] [ 8.517503e-11 3.0229e-10 2.150903e-10 ] [ 3.084941000000001e-10 2.892354e-10 5.199401e-11 ] [ 2.119748e-10 2.11188e-10 4.047438e-10 ] [ 4.365389e-10 1.647318e-10 4.564937e-10 ] [ 3.247696e-10 3.944508e-10 2.731386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1053182 -8.4846771 -1.9588988 ] [ -5.5664121 1.7700183 -0.9337333 ] [ 1.1298579 1.4658803 -3.3905717 ] [ -0.8571187 -0.8924695 4.4435692 ] [ 0.3141348 0.13336 0.2960682 ] [ 2.8742199 6.007888 1.5435664 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.373091599384739e-09 -1.359395128465714e-08 -3.138501859873175e-09 ] [ -8.918375328358231e-09 2.835881938648161e-09 -1.496005663322433e-09 ] [ 1.810231912206184e-09 2.34859914555129e-09 -5.432294708886112e-09 ] [ -1.373255542390489e-09 -1.429893767677066e-09 7.119382685146959e-09 ] [ 5.032994323396838e-10 2.13666274149888e-10 4.743535482023385e-10 ] [ 4.605007926818114e-09 9.625697693984871e-09 2.473065998732421e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8271275 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.093826406772075e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.6263917 0.924275 1.8761925 ] [ 0.837001 2.9178398 2.1970119 ] [ 2.7973511 2.9504332 1.0595746 ] [ 1.5146296 2.24288 4.2552366 ] [ 3.7472024 2.0042733 3.9446488 ] [ 4.0710454 3.9737877 2.7298877 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.6263917e-10 9.24275e-11 1.8761925e-10 ] [ 8.37001e-11 2.9178398e-10 2.1970119e-10 ] [ 2.7973511e-10 2.9504332e-10 1.0595746e-10 ] [ 1.5146296e-10 2.24288e-10 4.2552366e-10 ] [ 3.7472024e-10 2.0042733e-10 3.9446488e-10 ] [ 4.0710454e-10 3.9737877e-10 2.7298877e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9e-07 -1.15e-05 1.18e-05 ] [ -7.6e-06 2.4e-05 -2.7e-05 ] [ -2.06e-05 -1.8e-06 1.39e-05 ] [ 4.3e-06 -1.65e-05 -4.2e-06 ] [ 2.51e-05 7.6e-06 7e-07 ] [ -2e-06 -1.8e-06 4.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.44195895872e-15 -1.84250311392e-14 1.890568412544e-14 ] [ -1.217654231808e-14 3.84522388992e-14 -4.32587687616e-14 ] [ -3.300483838848e-14 -2.88391791744e-15 2.227025502912e-14 ] [ 6.889359469440001e-15 -2.64359142432e-14 -6.72914180736e-15 ] [ 4.021463318208e-14 1.217654231808e-14 1.12152363456e-15 ] [ -3.2043532416e-15 -2.88391791744e-15 7.53023011776e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.433831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.831901671437829e-18 } }