{ "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" [ [ 0.9192407 0.3679632 0.2084149 ] [ 0.7009294 0.9640354 2.373703 ] [ 0.5234459 2.737555 0.0024849 ] [ 2.754814 0.6958427 0.7664459 ] [ 2.641472 1.152124 2.712512 ] [ 2.849889 2.552424 1.475764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.192407e-11 3.679632e-11 2.084149e-11 ] [ 7.009294e-11 9.640354e-11 2.373703e-10 ] [ 5.234459e-11 2.737555e-10 2.4849e-13 ] [ 2.754814e-10 6.958427e-11 7.664459e-11 ] [ 2.641472e-10 1.152124e-10 2.712512e-10 ] [ 2.849889e-10 2.552424e-10 1.475764e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.1705863 -0.6926111 -4.4933887 ] [ -17.3628215 -1.9126502 3.9820564 ] [ -0.0294415 0.4242044 -0.4292354 ] [ 23.7991097 -25.5656568 -25.290183 ] [ 5.7497104 -18.088753 40.0386168 ] [ 4.0140292 45.8354668 -13.8078661 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.590813531448877e-08 -1.109685311726571e-09 -7.199202323306904e-09 ] [ -2.781830667842358e-08 -3.064403434208444e-09 6.379957666787012e-09 ] [ -4.717048298128319e-11 6.796503721204916e-10 -6.877109226997363e-10 ] [ 3.81303771571945e-08 -4.096069762035655e-08 -4.051933993835361e-08 ] [ 9.212051579250616e-09 -2.898137715602587e-08 6.414893576613011e-08 ] [ 6.431183739448528e-09 7.343651331041459e-08 -2.212264024855688e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.681408 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.070479569162609e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6600005 0.4728237 0.2665898 ] [ 0.3622506 0.5733806 2.7699841 ] [ 0.8988986 2.8971661 -0.2253109 ] [ 3.0919314 -0.1550384 0.5059222 ] [ 2.7989506 1.2076875 2.6089909 ] [ 2.5777593 3.4739248 1.6131485 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.600005000000001e-11 4.728237e-11 2.665898e-11 ] [ 3.622506e-11 5.733806e-11 2.7699841e-10 ] [ 8.988986000000001e-11 2.897166100000001e-10 -2.253109e-11 ] [ 3.0919314e-10 -1.550384e-11 5.059222e-11 ] [ 2.7989506e-10 1.2076875e-10 2.6089909e-10 ] [ 2.5777593e-10 3.4739248e-10 1.6131485e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4e-07 1.45e-05 -1.73e-05 ] [ 1.33e-05 2.4e-06 1.81e-05 ] [ 2.55e-05 -3.61e-05 3.7e-06 ] [ -1.89e-05 5.6e-06 -5.3e-06 ] [ -7.3e-06 3e-07 -1.19e-05 ] [ -1.31e-05 1.33e-05 1.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.408706483200001e-16 2.32315610016e-14 -2.771765553984e-14 ] [ 2.130894905664e-14 3.84522388992e-15 2.899939683648e-14 ] [ 4.08555038304e-14 -5.783857601088001e-14 5.928053496960001e-15 ] [ -3.028113813312e-14 8.972189076479999e-15 -8.491536090240001e-15 ] [ -1.169588933184e-14 4.8065298624e-16 -1.906590178752e-14 ] [ -2.098851373248e-14 2.130894905664e-14 2.050786074624e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.273917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.767586596703968e-18 } }