{ "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" [ [ 3.052782 0.533749 2.863364 ] [ 2.918449 2.894241 2.581593 ] [ 2.15775 1.828991 4.761683 ] [ 4.980199 1.864144 2.667187 ] [ 4.882978 3.954202 1.645371 ] [ 4.390119 4.230009 4.149708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.052782e-10 5.33749e-11 2.863364e-10 ] [ 2.918449e-10 2.894241e-10 2.581593e-10 ] [ 2.15775e-10 1.828991e-10 4.761683e-10 ] [ 4.980199e-10 1.864144e-10 2.667187e-10 ] [ 4.882978e-10 3.954202e-10 1.645371e-10 ] [ 4.390119000000001e-10 4.230009e-10 4.149708000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8453481 -3.479384 0.3015499 ] [ -6.6192706 3.1579542 -0.5058686 ] [ -0.5631104 -0.2098324 0.8543683 ] [ 5.6177097 -4.1735888 -0.1311792 ] [ 2.2825592 2.813931 -2.5942915 ] [ 0.1274601 1.89092 2.0754211 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.354396962257701e-09 -5.574587699585588e-09 4.831361997845778e-10 ] [ -1.060524060206879e-08 5.059600388797167e-09 -8.104908441168269e-10 ] [ -9.022023178093364e-10 -3.361885655663539e-10 1.368848915812641e-09 ] [ 9.000563143781381e-09 -6.686826400192727e-09 -2.101722473752474e-10 ] [ 3.657062985831952e-09 4.508414460744365e-09 -4.156513188840163e-09 ] [ 2.042135923048301e-10 3.029587815803136e-09 3.325191164735019e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5993733 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.057336161319175e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.3864542 0.4599316 2.7684247 ] [ 2.0254176 3.7481419 3.6291591 ] [ 2.1959459 1.609651 4.281026 ] [ 5.4353543 1.3536298 2.5939708 ] [ 5.2648373 3.4920648 1.9419342 ] [ 4.0742676 4.6419169 3.4543912 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.3864542e-10 4.599316e-11 2.7684247e-10 ] [ 2.0254176e-10 3.7481419e-10 3.6291591e-10 ] [ 2.1959459e-10 1.609651e-10 4.281026e-10 ] [ 5.435354300000001e-10 1.3536298e-10 2.5939708e-10 ] [ 5.2648373e-10 3.4920648e-10 1.9419342e-10 ] [ 4.0742676e-10 4.6419169e-10 3.4543912e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.1e-06 -6.03e-05 1.95e-05 ] [ -3.8e-06 -5.5e-06 -3.08e-05 ] [ 3.5e-06 3.39e-05 -4e-07 ] [ -2.16e-05 1.81e-05 -2.59e-05 ] [ 1.48e-05 -7e-07 -1.88e-05 ] [ -1e-06 1.45e-05 5.63e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.297763062848e-14 -9.661125023424001e-14 3.12424441056e-14 ] [ -6.08827115904e-15 -8.8119714144e-15 -4.934703992064001e-14 ] [ 5.6076181728e-15 5.431378744512e-14 -6.408706483200001e-16 ] [ -3.460701500928e-14 2.899939683648e-14 -4.149637447872e-14 ] [ 2.371221398784e-14 -1.12152363456e-15 -3.012092047104e-14 ] [ -1.6021766208e-15 2.32315610016e-14 9.020254375104e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.766631 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.725004447298053e-18 } }