{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2910798 -22.3339896 0.0954565 ] [ -10.8353792 20.5140332 -10.0954992 ] [ -20.1559875 20.0339015 3.2601892 ] [ 9.3765685 -17.9402263 1.6073408 ] [ -2.318336 1.5035195 -4.0985105 ] [ 22.0188508 2.3307675 -10.3639021 ] [ 2.2053633 -4.1080059 19.5949254 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.663612503471399e-10 -3.578299598631035e-08 1.529381726033952e-10 ] [ -1.736019123174261e-08 3.286710439135501e-08 -1.61747727935451e-08 ] [ -3.229345194163704e-08 3.209784860671005e-08 5.223398915624656e-09 ] [ 1.502291883402973e-08 -2.874341114972129e-08 2.575243851417969e-09 ] [ -3.714383738358989e-09 2.408903791816905e-09 -6.566537703203317e-09 ] [ 3.527808796864338e-08 3.734301197020464e-09 -1.660480164488003e-08 ] [ 3.533381519630337e-09 -6.581751011088463e-09 3.139453136220009e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.170503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.629494212837626e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2289389 1.9366964 2.8297256 ] [ 2.4245688 3.8435321 0.819218 ] [ 2.0753024 4.6680251 3.3119751 ] [ 4.1777642 1.8583744 0.8517635 ] [ 4.9120504 1.4559639 3.3646415 ] [ 4.6520104 4.0706291 2.4634091 ] [ 3.6126519 3.1924318 4.8851503 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2289389e-10 1.9366964e-10 2.8297256e-10 ] [ 2.4245688e-10 3.8435321e-10 8.19218e-11 ] [ 2.0753024e-10 4.668025100000001e-10 3.3119751e-10 ] [ 4.177764200000001e-10 1.8583744e-10 8.517635000000001e-11 ] [ 4.9120504e-10 1.4559639e-10 3.3646415e-10 ] [ 4.6520104e-10 4.0706291e-10 2.4634091e-10 ] [ 3.6126519e-10 3.1924318e-10 4.885150300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.12e-05 -1.38e-05 -5.19e-05 ] [ -1.45e-05 1.68e-05 -3.2e-05 ] [ -2.4e-06 3.57e-05 6.58e-05 ] [ 2.97e-05 -4.12e-05 -1.17e-05 ] [ 2.59e-05 -2.57e-05 3.45e-05 ] [ -2.6e-05 1.78e-05 -3.55e-05 ] [ 8.5e-06 1.04e-05 3.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.396614436096001e-14 -2.211003736704e-14 -8.315296661952001e-14 ] [ -2.32315610016e-14 2.691656722944e-14 -5.12696518656e-14 ] [ -3.84522388992e-15 5.719770536256001e-14 1.0542322164864e-13 ] [ 4.758464563776e-14 -6.600967677696001e-14 -1.874546646336e-14 ] [ 4.149637447872e-14 -4.117593915456e-14 5.52750934176e-14 ] [ -4.16565921408e-14 2.851874385024e-14 -5.68772700384e-14 ] [ 1.36185012768e-14 1.666263685632e-14 4.934703992064001e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.913038 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.831291041590199e-18 } }