{ "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" [ [ 2.290406 1.365127 2.478138 ] [ 1.892594 2.812526 4.141756 ] [ 2.634032 3.625436 1.937955 ] [ 4.696761 2.293416 2.137678 ] [ 4.185297 2.165547 4.431715 ] [ 4.453239 5.273552 2.545611 ] [ 3.870361 4.380343 4.592008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.290406e-10 1.365127e-10 2.478138e-10 ] [ 1.892594e-10 2.812526e-10 4.141756e-10 ] [ 2.634032e-10 3.625436e-10 1.937955e-10 ] [ 4.696761000000001e-10 2.293416e-10 2.137678e-10 ] [ 4.185297000000001e-10 2.165547e-10 4.431715e-10 ] [ 4.453239e-10 5.273551999999999e-10 2.545611e-10 ] [ 3.870361e-10 4.380343e-10 4.592008e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.4566291 0.2595884 -0.368285 ] [ 1.9286754 1.8571879 0.4729445 ] [ 1.1281348 -0.0098048 0.9623601 ] [ -2.6534858 4.7526444 0.929903 ] [ -0.9760093 -1.7122416 -0.8166137 ] [ -0.2822619 -5.4089851 -1.3328927 ] [ -1.6016824 0.2616109 0.1525838 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.935953709996945e-09 4.159064655108787e-10 -5.900576167913279e-10 ] [ 3.090078634992088e-09 2.975543033812648e-09 7.577406208359456e-10 ] [ 1.807471201670884e-09 -1.570902133161984e-11 1.54187085301075e-09 ] [ -4.251352912384784e-09 7.614575744656045e-09 1.489868846211782e-09 ] [ -1.563739282143374e-09 -2.743313460681185e-09 -1.308359378364985e-09 ] [ -4.522334171225876e-10 -8.666149469475549e-09 -2.135529521974988e-09 ] [ -2.566178095226834e-09 4.191468677264467e-10 2.44466197072823e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -27.626345 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.426228407715498e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6329744 1.416419 2.5884871 ] [ 1.9065119 2.9834994 4.1699125 ] [ 2.5248652 3.7113878 2.0079745 ] [ 4.6194995 2.5509825 2.0753867 ] [ 4.103046 2.0578216 4.3282061 ] [ 4.5232422 4.8442151 2.4940641 ] [ 3.7125508 4.3516216 4.60083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6329744e-10 1.416419e-10 2.5884871e-10 ] [ 1.9065119e-10 2.9834994e-10 4.1699125e-10 ] [ 2.5248652e-10 3.7113878e-10 2.0079745e-10 ] [ 4.6194995e-10 2.5509825e-10 2.0753867e-10 ] [ 4.103046e-10 2.0578216e-10 4.3282061e-10 ] [ 4.5232422e-10 4.844215100000001e-10 2.4940641e-10 ] [ 3.7125508e-10 4.3516216e-10 4.600830000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-07 4.7e-06 9.8e-06 ] [ 1.11e-05 -6.5e-06 2.4e-06 ] [ -2.11e-05 -7.2e-06 -2.65e-05 ] [ 9.1e-06 -7.1e-06 2.7e-06 ] [ -1.89e-05 -4.2e-06 7e-07 ] [ 7.1e-06 2.58e-05 -3.1e-06 ] [ 1.25e-05 -5.5e-06 1.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-16 7.53023011776e-15 1.570133088384e-14 ] [ 1.778416049088e-14 -1.04141480352e-14 3.84522388992e-15 ] [ -3.380592669888e-14 -1.153567166976e-14 -4.24576804512e-14 ] [ 1.457980724928e-14 -1.137545400768e-14 4.32587687616e-15 ] [ -3.028113813312e-14 -6.72914180736e-15 1.12152363456e-15 ] [ 1.137545400768e-14 4.133615681664e-14 -4.96674752448e-15 ] [ 2.002720776e-14 -8.8119714144e-15 2.227025502912e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.337723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.860639051890644e-18 } }