{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0458144 -2.5703657 -0.7993424 ] [ -1.7657306 2.456568 0.7097561 ] [ -2.4218848 2.8276741 0.1860675 ] [ 1.7067787 -2.3030705 2.1646327 ] [ -1.8088731 1.7311163 -0.900258 ] [ 2.7481445 -0.6216802 -1.4339932 ] [ 0.4957509 -1.5202419 0.0731373 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.67557938137598e-09 -4.118179831446227e-09 -1.280687705294162e-09 ] [ -2.829012285951156e-09 3.935855817005414e-09 1.137154629890187e-09 ] [ -3.880287204830883e-09 4.530433334261682e-09 2.98112998390704e-10 ] [ 2.734560930019417e-09 -3.689925711154167e-09 3.46812390455918e-09 ] [ -2.898134190814021e-09 2.773554063745799e-09 -1.442372320288167e-09 ] [ 4.403012868480106e-09 -9.96041482054268e-10 -2.297510379426178e-09 ] [ 7.942805017205587e-10 -2.435696030140572e-09 1.171788721684358e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.754988085572457 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.242486060528674e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3656308 2.054607 2.8084239 ] [ 2.5603947 3.7308066 1.0661354 ] [ 2.2575248 4.4418676 3.2237956 ] [ 4.0795275 2.0148939 1.0925549 ] [ 4.7154695 1.665395 3.2665523 ] [ 4.515317 3.9527175 2.4846886 ] [ 3.5894227 3.1653655 4.5837325 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3656308e-10 2.054607e-10 2.8084239e-10 ] [ 2.5603947e-10 3.7308066e-10 1.0661354e-10 ] [ 2.2575248e-10 4.4418676e-10 3.2237956e-10 ] [ 4.0795275e-10 2.0148939e-10 1.0925549e-10 ] [ 4.7154695e-10 1.665395e-10 3.2665523e-10 ] [ 4.515317e-10 3.9527175e-10 2.4846886e-10 ] [ 3.5894227e-10 3.1653655e-10 4.5837325e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.79e-05 6.28e-05 -2.09e-05 ] [ 2.64e-05 3.61e-05 3.55e-05 ] [ 2.16e-05 -5.03e-05 -1.5e-05 ] [ -1.4e-06 -5.28e-05 -1.05e-05 ] [ 3.1e-05 4.2e-05 2.59e-05 ] [ -8.66e-05 -2.72e-05 2.4e-05 ] [ 2.69e-05 -1.05e-05 -3.9e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.867896151232001e-14 1.0061669178624e-13 -3.348549137472e-14 ] [ 4.229746278912e-14 5.783857601088001e-14 5.68772700384e-14 ] [ 3.460701500928e-14 -8.058948402624e-14 -2.4032649312e-14 ] [ -2.24304726912e-15 -8.459492557824e-14 -1.68228545184e-14 ] [ 4.96674752448e-14 6.72914180736e-14 4.149637447872e-14 ] [ -1.3874849536128e-13 -4.357920408576e-14 3.84522388992e-14 ] [ 4.309855109952001e-14 -1.68228545184e-14 -6.248488821120001e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }