{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6884639 -4.5245183 -2.9973936 ] [ -3.5053503 6.2023431 2.1321235 ] [ -0.1053238 -2.139097 1.9614897 ] [ -0.0054929 -0.5008622 -0.9844261 ] [ 0.1608327 0.7872525 -0.4155876 ] [ 0.1049329 0.3410313 -1.4734841 ] [ 0.6619374 -0.1661494 1.7772782 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.307394006444789e-09 -7.249077440641762e-09 -4.802353949255547e-09 ] [ -5.616190298374267e-09 9.937249109000196e-09 3.416038424358269e-09 ] [ -1.68747329973815e-10 -3.427211203023418e-09 3.142652939280006e-09 ] [ -8.800595960392322e-12 -8.024697070824539e-10 -1.577224482325323e-09 ] [ 2.576823918001402e-10 1.261317550166352e-09 -6.658447366143822e-10 ] [ 1.681210391327443e-10 5.463923758210311e-10 -2.360781776140529e-09 ] [ 1.060540626713138e-09 -2.662006842399475e-10 2.847513580697506e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.2977200855724575 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.169223650624677e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2394199 1.3159052 2.0396935 ] [ 1.7955202 3.2903387 3.3767958 ] [ 2.6411909 1.2101065 4.2936302 ] [ 3.0089817 3.335595 1.2771486 ] [ 3.6591804 3.164353 4.9240712 ] [ 4.3785987 2.1112305 2.8609293 ] [ 3.8865262 4.4779541 3.0597774 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2394199e-10 1.3159052e-10 2.0396935e-10 ] [ 1.7955202e-10 3.2903387e-10 3.3767958e-10 ] [ 2.6411909e-10 1.2101065e-10 4.2936302e-10 ] [ 3.0089817e-10 3.335595e-10 1.2771486e-10 ] [ 3.6591804e-10 3.164353e-10 4.924071200000001e-10 ] [ 4.378598700000001e-10 2.1112305e-10 2.8609293e-10 ] [ 3.8865262e-10 4.4779541e-10 3.0597774e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.83e-05 4.77e-05 2.23e-05 ] [ 6e-06 -1.19e-05 -1e-07 ] [ 4.4e-05 -4.3e-06 -2.99e-05 ] [ 5.41e-05 -4.89e-05 -1.55e-05 ] [ -1.4e-06 -2.06e-05 1.3e-05 ] [ -2.8e-06 -3.93e-05 1.22e-05 ] [ -4.16e-05 7.75e-05 -2.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.340689699264e-14 7.642382481215999e-14 3.572853864384e-14 ] [ 9.6130597248e-15 -1.906590178752e-14 -1.6021766208e-16 ] [ 7.04957713152e-14 -6.889359469440001e-15 -4.790508096192e-14 ] [ 8.667775518528e-14 -7.834643675712001e-14 -2.48337376224e-14 ] [ -2.24304726912e-15 -3.300483838848e-14 2.08282960704e-14 ] [ -4.48609453824e-15 -6.296554119743999e-14 1.954655477376e-14 ] [ -6.665054742528e-14 1.24168688112e-13 -3.36457090368e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }