{ "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" [ [ 2.673592 1.767732 1.794498 ] [ 2.791934 4.53061 0.3856556 ] [ 2.184868 4.104179 2.619474 ] [ 3.820974 5.464835 2.237655 ] [ 4.399704 3.304978 2.526424 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.673592000000001e-10 1.767732e-10 1.794498e-10 ] [ 2.791934e-10 4.53061e-10 3.856556e-11 ] [ 2.184868e-10 4.104179e-10 2.619474e-10 ] [ 3.820974e-10 5.464835e-10 2.237655e-10 ] [ 4.399704e-10 3.304978e-10 2.526424e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.9600421 -20.04227 -7.3675805 ] [ -9.9924352 1.4959608 -62.8669958 ] [ -124.9105288 -22.1915867 48.7851047 ] [ 63.5704057 62.5346467 8.3713283 ] [ 84.2926004 -21.7967508 13.0781434 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.076427662827629e-08 -3.211125668631918e-08 -1.180416532621404e-08 ] [ -1.600964619419911e-08 2.396793439139947e-09 -1.007240317205361e-07 ] [ -2.00128730583944e-07 -3.555484168212516e-08 7.816235483758358e-08 ] [ 1.018510186264404e-07 1.001915497581852e-07 1.341234659780294e-08 ] [ 1.35051634779979e-07 -3.492224482888081e-08 2.095349577158132e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 54.48357 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.729230279090337e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6627771 1.8987479 1.6078001 ] [ 2.7033406 4.3613948 -0.0200453 ] [ 1.4648738 4.213804 2.9940616 ] [ 3.9483976 5.660973 2.3202729 ] [ 5.0916829 3.0374143 2.6616173 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6627771e-10 1.8987479e-10 1.6078001e-10 ] [ 2.7033406e-10 4.3613948e-10 -2.00453e-12 ] [ 1.4648738e-10 4.213804e-10 2.9940616e-10 ] [ 3.9483976e-10 5.660973e-10 2.3202729e-10 ] [ 5.0916829e-10 3.0374143e-10 2.6616173e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.6e-05 -2.44e-05 2e-07 ] [ 1.31e-05 -4.3e-06 1.39e-05 ] [ 5.2e-06 6e-07 -7.1e-06 ] [ 4e-07 2.16e-05 7.7e-06 ] [ -2.7e-06 6.5e-06 -1.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.5634826144e-14 -3.909310986959999e-14 3.204353268e-16 ] [ 2.09885139054e-14 -6.8893595262e-15 2.22702552126e-14 ] [ 8.331318496799998e-15 9.613059803999998e-16 -1.13754541014e-14 ] [ 6.408706536e-16 3.46070152944e-14 1.23367600818e-14 ] [ -4.3258769118e-15 1.0414148121e-14 -2.35519965198e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.133456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.94399396928671e-18 } }