{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2534743 -12.1673944 7.9244397 ] [ -4.282802 -0.5907431 -6.4030259 ] [ -2.3668976 12.2803303 0.7116246 ] [ -4.5111626 0.075124 2.3656081 ] [ 2.2698213 -4.5119423 -1.8241058 ] [ 7.3403428 1.8936722 -10.2056431 ] [ 4.8041724 3.0209533 7.4311025 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.212640459833646e-09 -1.949431484373284e-08 1.269635202027936e-08 ] [ -6.861805235915482e-09 -9.464747837189165e-10 -1.025877839935688e-08 ] [ -3.79218799854763e-09 1.967525810236185e-08 1.140148296906152e-09 ] [ -7.227679250347341e-09 1.203619164609792e-10 3.790121991795109e-09 ] [ 3.636654620253863e-09 -7.228928467458581e-09 -2.922539666625681e-09 ] [ 1.176052562281761e-08 3.033997326298902e-09 -1.635124277504883e-08 ] [ 7.697132701572626e-09 4.840100749788608e-09 1.190593869226843e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.1304726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.41339339097499e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.1253723 2.0474977 4.3537832 ] [ 2.093205 3.3943542 1.1382062 ] [ 2.3178459 5.2987439 3.9395625 ] [ 1.2605758 3.2366154 3.3456559 ] [ 4.2068286 1.0843908 2.4498123 ] [ 4.4183373 3.2932999 1.5559868 ] [ 4.4179284 4.158888 3.8272331 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1253723e-10 2.0474977e-10 4.3537832e-10 ] [ 2.093205e-10 3.3943542e-10 1.1382062e-10 ] [ 2.3178459e-10 5.2987439e-10 3.9395625e-10 ] [ 1.2605758e-10 3.2366154e-10 3.3456559e-10 ] [ 4.2068286e-10 1.0843908e-10 2.4498123e-10 ] [ 4.4183373e-10 3.2932999e-10 1.5559868e-10 ] [ 4.4179284e-10 4.158888e-10 3.8272331e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.38e-05 -3.08e-05 -1.67e-05 ] [ -1.64e-05 1.85e-05 1.75e-05 ] [ -1.03e-05 2.62e-05 -2.54e-05 ] [ -2.55e-05 -1.11e-05 1.15e-05 ] [ -1.7e-06 8.7e-06 -2.9e-06 ] [ 2.92e-05 -1.31e-05 3.59e-05 ] [ 1.07e-05 1.6e-06 -2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.211003736704e-14 -4.934703992064001e-14 -2.675634956736e-14 ] [ -2.627569658112e-14 2.96402674848e-14 2.8038090864e-14 ] [ -1.650241919424e-14 4.197702746496e-14 -4.069528616832e-14 ] [ -4.08555038304e-14 -1.778416049088e-14 1.84250311392e-14 ] [ -2.72370025536e-15 1.393893660096e-14 -4.646312200320001e-15 ] [ 4.678355732736e-14 -2.098851373248e-14 5.751814068672e-14 ] [ 1.714328984256e-14 2.56348259328e-15 -3.2043532416e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.906007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.907552606248115e-18 } }