{ "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" [ [ 2.723222 4.526694 1.360574 ] [ 2.417536 3.174257 3.140142 ] [ 3.174903 0.8317717 2.605725 ] [ 4.479997 2.361559 1.640517 ] [ 3.774403 1.830324 4.619346 ] [ 4.138625 4.139223 3.615344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.723222e-10 4.526694e-10 1.360574e-10 ] [ 2.417536e-10 3.174257e-10 3.140142e-10 ] [ 3.174903e-10 8.317717e-11 2.605725e-10 ] [ 4.479997e-10 2.361559e-10 1.640517e-10 ] [ 3.774403e-10 1.830324e-10 4.619346e-10 ] [ 4.138625e-10 4.139223000000001e-10 3.615344e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9065358 1.6132337 -3.5171696 ] [ -10.1091889 1.4569595 0.9457635 ] [ -0.2329632 -3.4159408 -0.8735537 ] [ 3.9973656 -0.8911757 -4.7070529 ] [ 1.6393842 -2.9824503 4.8061239 ] [ 5.6119381 4.2193736 3.3458888 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.452430464678225e-09 2.584685318026681e-09 -5.635126904508488e-09 ] [ -1.619670611083087e-08 2.334306448352458e-09 1.515280168505981e-09 ] [ -3.732481925467546e-10 -5.472940487796849e-09 -1.399587315153337e-09 ] [ 6.404485709110165e-09 -1.427820871565075e-09 -7.54153010924884e-09 ] [ 2.626583037748911e-09 -4.778412143357947e-09 7.700259349248118e-09 ] [ 8.991316021196772e-09 6.760181736340731e-09 5.360704811156567e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.2779883 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.005844607991594e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6172925 4.2635721 1.3528618 ] [ 1.2541002 2.7789715 2.42996 ] [ 3.0304882 1.4021065 2.855806 ] [ 4.4360876 2.9328979 1.7452134 ] [ 4.0037666 2.0008321 4.8374448 ] [ 5.3669508 3.4854487 3.7603621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6172925e-10 4.2635721e-10 1.3528618e-10 ] [ 1.2541002e-10 2.7789715e-10 2.42996e-10 ] [ 3.0304882e-10 1.4021065e-10 2.855806e-10 ] [ 4.4360876e-10 2.9328979e-10 1.7452134e-10 ] [ 4.0037666e-10 2.0008321e-10 4.8374448e-10 ] [ 5.3669508e-10 3.4854487e-10 3.7603621e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.8e-06 -1.2e-06 1.86e-05 ] [ 5.3e-05 -4.9e-06 1.7e-06 ] [ -7.1e-06 -8e-07 -1.4e-05 ] [ -2.84e-05 4e-07 -2.68e-05 ] [ -1.14e-05 6.7e-06 2.74e-05 ] [ -1.4e-05 -2e-07 -6.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.249697764224e-14 -1.92261194496e-15 2.980048514688e-14 ] [ 8.49153609024e-14 -7.850665441919999e-15 2.72370025536e-15 ] [ -1.137545400768e-14 -1.28174129664e-15 -2.24304726912e-14 ] [ -4.550181603071999e-14 6.408706483200001e-16 -4.293833343744e-14 ] [ -1.826481347712e-14 1.073458335936e-14 4.389963940992e-14 ] [ -2.24304726912e-14 -3.2043532416e-16 -1.105501868352e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.423131 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.830187342453573e-18 } }