{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7409922 0.3691665 1.0443321 ] [ 0.5055031 -0.1012794 -0.744706 ] [ -1.9660092 0.54172 -0.1078078 ] [ 3.0245222 -7.0571109 -3.0727088 ] [ -0.3543954 -2.1643431 3.4834368 ] [ -0.817823 9.2652503 0.6995046 ] [ -1.1327898 -0.8534033 -1.3020508 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.187200379035158e-09 5.914699354825633e-10 1.673204474970968e-09 ] [ 8.099052485619245e-10 -1.622674868486515e-10 -1.193150542569485e-09 ] [ -3.149893976517712e-09 8.67931119019776e-10 -1.727271366998823e-10 ] [ 4.845818757930582e-09 -1.130673809437285e-08 -4.923022201886423e-09 ] [ -5.678040243990643e-10 -3.467659914209797e-09 5.581081000994366e-09 ] [ -1.310296890552518e-09 1.484456741652019e-08 1.120729916262056e-09 ] [ -1.814929333840708e-09 -1.367302815373569e-09 -2.086115350853937e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.361274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.42245337933029e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8702664 2.0130136 1.3966582 ] [ 3.4446631 0.6718398 2.5256554 ] [ 1.8847162 3.4309112 3.2785339 ] [ 5.2062879 2.245199 2.1171149 ] [ 3.8408913 2.3704447 4.1698706 ] [ 4.0242191 4.335904 2.687589 ] [ 3.6865861 3.2655946 0.5695378 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8702664e-10 2.0130136e-10 1.3966582e-10 ] [ 3.4446631e-10 6.718398e-11 2.5256554e-10 ] [ 1.8847162e-10 3.4309112e-10 3.2785339e-10 ] [ 5.206287900000001e-10 2.245199e-10 2.1171149e-10 ] [ 3.8408913e-10 2.370444700000001e-10 4.169870600000001e-10 ] [ 4.0242191e-10 4.335904e-10 2.687589e-10 ] [ 3.6865861e-10 3.2655946e-10 5.695378e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.4e-06 -1.13e-05 -1.25e-05 ] [ -2.36e-05 1.7e-06 3.9e-06 ] [ 1.93e-05 -9.5e-06 -1.89e-05 ] [ 2.4e-06 9.3e-06 1.52e-05 ] [ 2.01e-05 4.9e-06 -5.8e-06 ] [ 2.3e-06 2.8e-06 1.31e-05 ] [ -1.51e-05 2.2e-06 5.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.65175375232e-15 -1.810459581504e-14 -2.002720776e-14 ] [ -3.781136825088e-14 2.72370025536e-15 6.24848882112e-15 ] [ 3.092200878144e-14 -1.52206778976e-14 -3.028113813312e-14 ] [ 3.84522388992e-15 1.490024257344e-14 2.435308463616e-14 ] [ 3.220375007808e-14 7.850665441919999e-15 -9.292624400640001e-15 ] [ 3.68500622784e-15 4.48609453824e-15 2.098851373248e-14 ] [ -2.419286697408e-14 3.52478856576e-15 8.17110076608e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }