{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8495841 0.5267621 0.8966685 ] [ 0.1884113 0.623136 2.979456 ] [ 1.483282 2.75051 2.967402 ] [ 1.97645 1.30316 2.052926 ] [ 2.403862 2.938822 1.215589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.495841e-11 5.267621e-11 8.966685e-11 ] [ 1.884113e-11 6.23136e-11 2.979456e-10 ] [ 1.483282e-10 2.75051e-10 2.967402e-10 ] [ 1.97645e-10 1.30316e-10 2.052926e-10 ] [ 2.403862e-10 2.938822e-10 1.215589e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.1833502 -5.8758843 -8.0925737 ] [ -3.4830952 -1.3469046 2.7826749 ] [ -2.6390905 7.8235167 8.3689126 ] [ 8.0284125 -7.0632655 2.574383 ] [ 3.2771234 6.4625376 -5.6333968 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.304642507859004e-09 -9.414204451985773e-09 -1.296573238424095e-08 ] [ -5.580533697460701e-09 -2.157979060567976e-09 4.458336668066978e-09 ] [ -4.228289099275383e-09 1.253465554917837e-08 1.340847610923854e-08 ] [ 1.286293480963848e-08 -1.131659885060322e-08 4.124616255584967e-09 ] [ 5.250530494956607e-09 1.035412665376094e-08 -9.025696648649534e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.3024126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.291048259955342e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7851645 -0.1381176 1.28278 ] [ -0.279556 1.0790569 3.0098113 ] [ 0.888874 3.1187479 3.275353 ] [ 2.8373993 0.948453 0.826312 ] [ 2.6697076 3.1342499 1.7177852 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.851645000000001e-11 -1.381176e-11 1.28278e-10 ] [ -2.79556e-11 1.0790569e-10 3.0098113e-10 ] [ 8.888740000000001e-11 3.1187479e-10 3.275353e-10 ] [ 2.8373993e-10 9.48453e-11 8.263120000000001e-11 ] [ 2.6697076e-10 3.1342499e-10 1.7177852e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.3e-06 1.57e-05 6.4e-06 ] [ 2.55e-05 -6.3e-06 -2.46e-05 ] [ 4.7e-06 1.13e-05 3.8e-06 ] [ -2.02e-05 -8.4e-06 8.8e-06 ] [ -1.73e-05 -1.22e-05 5.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.169588933184e-14 2.515417294656e-14 1.025393037312e-14 ] [ 4.08555038304e-14 -1.009371271104e-14 -3.941354487168e-14 ] [ 7.53023011776e-15 1.810459581504e-14 6.08827115904e-15 ] [ -3.236396774016e-14 -1.345828361472e-14 1.409915426304e-14 ] [ -2.771765553984e-14 -1.954655477376e-14 8.8119714144e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.976836 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.239335987195579e-18 } }