{ "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" [ [ 0.3247182 0.2574581 0.2093782 ] [ 0.0650872 0.6230634 2.300965 ] [ 0.7071473 2.551012 0.1142943 ] [ 0.540381 2.928346 2.93806 ] [ 2.649535 1.391538 0.3805226 ] [ 1.868471 1.381011 2.58095 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.247182e-11 2.574581e-11 2.093782e-11 ] [ 6.50872e-12 6.230634000000001e-11 2.300965e-10 ] [ 7.071473000000001e-11 2.551012e-10 1.142943e-11 ] [ 5.40381e-11 2.928346e-10 2.93806e-10 ] [ 2.649535e-10 1.391538e-10 3.805226e-11 ] [ 1.868471e-10 1.381011e-10 2.58095e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9699007 -5.6767603 -6.841583 ] [ -11.0321982 -9.3271528 4.8378695 ] [ -2.8844029 8.1010352 -6.0124867 ] [ -3.3714914 8.8196297 1.7764958 ] [ 6.0459389 -0.2157039 -1.7275585 ] [ 15.2120543 -1.7010479 7.9672629 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.360482088437555e-09 -9.095172634545594e-09 -1.096142433186273e-08 ] [ -1.767553003207185e-08 -1.494374615478926e-08 7.751121407381386e-09 ] [ -4.621322891347721e-09 1.297928920171785e-08 -9.633065623610945e-09 ] [ -5.401724698308261e-09 1.413060450945332e-08 2.846260037709393e-09 ] [ 9.68666195636527e-09 -3.455957455953811e-10 -2.767853839764317e-09 ] [ 2.437239775380011e-08 -2.725379176240937e-09 1.276496235014721e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.7208148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.076793234528663e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2424162 0.3455092 0.1202499 ] [ -0.0695156 0.3694717 2.4981364 ] [ 0.6525991 2.9115654 0.1481774 ] [ 0.3406765 2.9355287 2.5260653 ] [ 2.6505494 1.273203 0.4268275 ] [ 2.338614 1.2971507 2.8047137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.424162e-11 3.455092e-11 1.202499e-11 ] [ -6.95156e-12 3.694717e-11 2.4981364e-10 ] [ 6.525991e-11 2.911565400000001e-10 1.481774e-11 ] [ 3.406765e-11 2.9355287e-10 2.5260653e-10 ] [ 2.6505494e-10 1.273203e-10 4.268275000000001e-11 ] [ 2.338614e-10 1.2971507e-10 2.8047137e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.82e-05 1.59e-05 -8.2e-06 ] [ -6.3e-06 -5.7e-06 1e-05 ] [ 1.45e-05 -1.81e-05 -6e-07 ] [ -1.14e-05 7.6e-06 1.42e-05 ] [ -1.77e-05 -6.9e-06 -1.96e-05 ] [ 2.7e-06 7.2e-06 4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.915961449856e-14 2.547460827072e-14 -1.313784829056e-14 ] [ -1.009371271104e-14 -9.13240673856e-15 1.6021766208e-14 ] [ 2.32315610016e-14 -2.899939683648e-14 -9.6130597248e-16 ] [ -1.826481347712e-14 1.217654231808e-14 2.275090801536e-14 ] [ -2.835852618816e-14 -1.105501868352e-14 -3.140266176767999e-14 ] [ 4.32587687616e-15 1.153567166976e-14 6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.187542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.273094809901807e-18 } }