{ "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" [ [ 0.0068904 0.1581444 0.9739303 ] [ 1.486449 0.0094288 0.6635661 ] [ 1.283407 0.7092398 2.988588 ] [ 0.3149749 1.776241 2.685574 ] [ 2.9726 1.648627 0.444947 ] [ 2.196005 2.727691 2.654363 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.8904e-13 1.581444e-11 9.739303e-11 ] [ 1.486449e-10 9.4288e-13 6.635661000000001e-11 ] [ 1.283407e-10 7.092398e-11 2.988588e-10 ] [ 3.149749e-11 1.776241e-10 2.685574e-10 ] [ 2.9726e-10 1.648627e-10 4.44947e-11 ] [ 2.196005e-10 2.727691e-10 2.654363e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -58.0957881 10.5582974 18.7403937 ] [ 59.4623706 -10.0674708 -11.0296829 ] [ 48.1083207 -62.274509 12.0797086 ] [ -60.0804025 53.3053321 -16.2183185 ] [ 3.7269575 3.9793252 -1.3733562 ] [ 6.8785418 4.4990251 -2.1987448 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.307971346077085e-08 1.691625724973343e-08 3.002542065072761e-08 ] [ 9.526921999266527e-08 -1.612986634634667e-08 -1.767150007721754e-08 ] [ 7.707802669148869e-08 -9.977476239159919e-08 1.93538267049967e-08 ] [ -9.625941625375387e-08 8.540455685459978e-08 -2.598461072938812e-08 ] [ 5.971244173215217e-09 6.375581802000283e-09 -2.200359195670729e-09 ] [ 1.102063885715555e-08 7.208232831612383e-09 -3.522777513665572e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 25.195819 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.036815214370844e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.5582562 0.4484987 0.7987785 ] [ 1.7782595 -0.1914038 0.7862881 ] [ 1.8253325 0.3538318 3.2199277 ] [ -0.133988 1.8824393 2.7090372 ] [ 3.1221874 1.791881 0.4266127 ] [ 2.2267911 2.7441251 2.4703241 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.582562e-11 4.484987e-11 7.987785e-11 ] [ 1.7782595e-10 -1.914038e-11 7.862881e-11 ] [ 1.8253325e-10 3.538318e-11 3.2199277e-10 ] [ -1.33988e-11 1.8824393e-10 2.7090372e-10 ] [ 3.1221874e-10 1.791881e-10 4.266127e-11 ] [ 2.2267911e-10 2.744125100000001e-10 2.4703241e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.7e-06 2.08e-05 -4.2e-06 ] [ -3e-07 -3.75e-05 -1.7e-06 ] [ -2e-06 2.3e-06 1.8e-05 ] [ -1.45e-05 -1.78e-05 5.2e-06 ] [ 1.57e-05 1.85e-05 -2.22e-05 ] [ 6.9e-06 1.37e-05 4.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.13240673856e-15 3.332527371264e-14 -6.72914180736e-15 ] [ -4.8065298624e-16 -6.008162327999999e-14 -2.72370025536e-15 ] [ -3.2043532416e-15 3.68500622784e-15 2.88391791744e-14 ] [ -2.32315610016e-14 -2.851874385024e-14 8.33131842816e-15 ] [ 2.515417294656e-14 2.96402674848e-14 -3.556832098176e-14 ] [ 1.105501868352e-14 2.194981970496e-14 7.850665441919999e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.835031 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.376833983704325e-18 } }