{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.027282 5.632261 2.076972 ] [ 2.884751 3.592598 1.127951 ] [ 2.371812 3.264152 3.427474 ] [ 4.423647 2.751313 2.650154 ] [ 4.69656 4.49664 0.8853521 ] [ 4.67919 4.727196 3.249691 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.027282e-10 5.632261e-10 2.076972e-10 ] [ 2.884751e-10 3.592598e-10 1.127951e-10 ] [ 2.371812e-10 3.264152e-10 3.427474e-10 ] [ 4.423647e-10 2.751313e-10 2.650154e-10 ] [ 4.69656e-10 4.496640000000001e-10 8.853521e-11 ] [ 4.679190000000001e-10 4.727196000000001e-10 3.249691e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -23.8432688 16.9096864 6.4762549 ] [ -21.0212654 -8.9381618 -6.3812272 ] [ -11.5735141 0.0241135 8.5996902 ] [ 8.0339455 -27.137552 -0.8123298 ] [ 35.9492568 3.2338732 -24.4518619 ] [ 12.4548459 15.9080407 16.5694738 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.820112783481007e-08 2.709230421513971e-08 1.037610419112144e-08 ] [ -3.367977996351196e-08 -1.432051386888764e-08 -1.022385303185305e-08 ] [ -1.854281371151916e-08 3.86340859456608e-11 1.377822258456288e-08 ] [ 1.287179965288137e-08 -4.347915136014428e-08 -1.30149581393914e-09 ] [ 5.759705878009542e-08 5.181236035671683e-09 -3.917620147121027e-08 ] [ 1.995486291664674e-08 2.548749089227487e-08 2.654722354131813e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.3291099 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.129468808253826e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.8788255 5.562397 2.3749529 ] [ 2.5913967 3.3091072 0.7592827 ] [ 1.9938429 3.3087356 3.3918779 ] [ 4.4490473 2.6518739 2.7309405 ] [ 4.9243407 4.5682307 0.7632004 ] [ 5.2457889 5.0638157 3.3973397 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8788255e-10 5.562397e-10 2.3749529e-10 ] [ 2.5913967e-10 3.309107200000001e-10 7.592827e-11 ] [ 1.9938429e-10 3.3087356e-10 3.3918779e-10 ] [ 4.4490473e-10 2.6518739e-10 2.7309405e-10 ] [ 4.924340700000001e-10 4.5682307e-10 7.632004e-11 ] [ 5.2457889e-10 5.0638157e-10 3.3973397e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.51e-05 -6.6e-06 1.37e-05 ] [ -2.3e-06 1.1e-05 -1.87e-05 ] [ -4.19e-05 -2.58e-05 2.54e-05 ] [ 1.89e-05 3.91e-05 -4.6e-06 ] [ 7.4e-06 -2.06e-05 -0.0 ] [ -1.72e-05 2.9e-06 -1.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.623639939008e-14 -1.057436569728e-14 2.194981970496e-14 ] [ -3.68500622784e-15 1.76239428288e-14 -2.996070280896e-14 ] [ -6.713120041152e-14 -4.133615681664e-14 4.069528616832e-14 ] [ 3.028113813312e-14 6.264510587328001e-14 -7.370012455680001e-15 ] [ 1.185610699392e-14 -3.300483838848e-14 0.0 ] [ -2.755743787776e-14 4.646312200320001e-15 -2.531439060864e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.864633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.182665057337217e-18 } }