{ "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" [ [ 2.430797 0.9143471 3.003228 ] [ 2.900858 2.600657 5.132587 ] [ 1.698571 3.470708 2.452381 ] [ 4.30988 2.177249 1.737833 ] [ 5.127339 2.024866 3.874492 ] [ 3.797222 3.704908 3.463102 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.430797e-10 9.143471e-11 3.003228e-10 ] [ 2.900858e-10 2.600657e-10 5.132587e-10 ] [ 1.698571e-10 3.470708e-10 2.452381e-10 ] [ 4.30988e-10 2.177249e-10 1.737833e-10 ] [ 5.127339e-10 2.024866e-10 3.874492e-10 ] [ 3.797222e-10 3.704908e-10 3.463102e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.9640563 -0.5301843 1.6941664 ] [ 6.4880692 1.0028554 2.9887329 ] [ 1.7494532 -1.8479552 0.6790056 ] [ 1.3183887 -2.0792813 -2.4059624 ] [ -8.5918547 3.4545654 -2.9559425 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ -1.544588464994951e-09 -8.494488901752136e-10 2.714353797824902e-09 ] [ 1.039503278637256e-08 1.606751475923033e-09 4.788477978195784e-09 ] [ 2.802933016223747e-09 -2.960750617725788e-09 1.087886897712276e-09 ] [ 2.112291552266905e-09 -3.331375886926631e-09 -3.854776707803858e-09 ] [ -1.37656687296506e-08 5.534823918904601e-09 -4.735941965929105e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.0544223 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.700253861510165e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.430797 0.9143471 3.003228 ] [ 3.4528126 2.6441021 5.6744897 ] [ 1.8582552 3.9161443 1.8132613 ] [ 4.4068899 2.0499894 1.7219422 ] [ 5.229291 1.9514848 3.7568158 ] [ 2.8866213 3.4166675 3.693886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.430797e-10 9.143471e-11 3.003228e-10 ] [ 3.4528126e-10 2.6441021e-10 5.6744897e-10 ] [ 1.8582552e-10 3.9161443e-10 1.8132613e-10 ] [ 4.406889900000001e-10 2.0499894e-10 1.7219422e-10 ] [ 5.229291e-10 1.9514848e-10 3.7568158e-10 ] [ 2.8866213e-10 3.4166675e-10 3.693886e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0242554 -0.0191964 0.0584438 ] [ 0.0376826 -0.0106494 0.0543744 ] [ -5.55e-05 6.6e-06 -0.0001372 ] [ 5.55e-05 -6.6e-06 0.0001372 ] [ -0.061938 0.0298458 -0.1128182 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 3.886143480815232e-11 -3.075602328352512e-11 9.363728999071103e-11 ] [ 6.037418073095807e-11 -1.706221970554752e-11 8.711739245002753e-11 ] [ -8.892080245440001e-14 1.057436569728e-14 -2.1981863237376e-13 ] [ 8.892080245440001e-14 -1.057436569728e-14 2.1981863237376e-13 ] [ -9.923561553911041e-11 4.781824298907264e-11 -1.807546824407386e-10 ] ] } "relaxed-potential-energy" { "source-value" -8.5381468 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.367961918791833e-18 } }