{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.9661583 -20.0800904 -12.3153283 ] [ -15.3452907 -35.1662734 8.9476998 ] [ 1.7702748 10.4310152 -4.9469843 ] [ -9.4015925 7.215807 2.1368859 ] [ 2.4050517 -4.1416498 1.7217997 ] [ 2.489251 7.667752 -11.5031324 ] [ 30.0484641 34.0734393 15.9590597 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.917189922700516e-08 -3.217185164748771e-08 -1.973133124229894e-08 ] [ -2.45858662014775e-08 -5.634258154633573e-08 1.433579554760647e-08 ] [ 2.836292920319023e-09 1.671232882233883e-08 -7.925942654224845e-09 ] [ -1.506301182588964e-08 1.156099737085364e-08 3.42366865850406e-09 ] [ 3.853317637301977e-09 -6.635654535770772e-09 2.75862724776821e-09 ] [ 3.988219788361133e-09 1.228509308970677e-08 -1.843004994908834e-08 ] [ 4.814294706860784e-08 5.459166828647731e-08 2.556923255195105e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.0309359 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.66262458013176e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.4831059 1.8431775 2.8611692 ] [ 2.2851278 1.3102206 5.5203871 ] [ 2.9645994 4.6884793 2.9795826 ] [ 1.2119093 3.6153469 4.6654556 ] [ 4.8430999 1.2502481 1.8763157 ] [ 3.7389451 3.3803692 0.9189703 ] [ 4.0183686 3.2146153 4.8870389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4831059e-10 1.8431775e-10 2.8611692e-10 ] [ 2.2851278e-10 1.3102206e-10 5.5203871e-10 ] [ 2.9645994e-10 4.6884793e-10 2.9795826e-10 ] [ 1.2119093e-10 3.6153469e-10 4.6654556e-10 ] [ 4.8430999e-10 1.2502481e-10 1.8763157e-10 ] [ 3.7389451e-10 3.3803692e-10 9.189703e-11 ] [ 4.0183686e-10 3.2146153e-10 4.8870389e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.8e-06 6.6e-06 1.7e-06 ] [ 5.1e-06 -4.7e-06 -1e-05 ] [ 1.16e-05 -7.7e-06 -3.4e-06 ] [ 7.7e-06 -6.5e-06 -1.9e-06 ] [ -7.7e-06 5.8e-06 7.9e-06 ] [ -5.6e-06 -2.9e-06 -9.2e-06 ] [ -7.1e-06 9.4e-06 1.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.088271209199999e-15 1.05743657844e-14 2.7237002778e-15 ] [ 8.1711008334e-15 -7.530230179799999e-15 -1.602176634e-14 ] [ 1.85852489544e-14 -1.23367600818e-14 -5.4474005556e-15 ] [ 1.23367600818e-14 -1.0414148121e-14 -3.0441356046e-15 ] [ -1.23367600818e-14 9.2926244772e-15 1.26571954086e-14 ] [ -8.972189150399999e-15 -4.6463122386e-15 -1.47400250328e-14 ] [ -1.13754541014e-14 1.50604603596e-14 2.403264951e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.830861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.657907202830187e-18 } }