{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0410375 -3.4843172 -0.5821466 ] [ -0.0186396 2.9699803 -0.7037978 ] [ 1.1027026 -1.53916 0.669819 ] [ -2.05875 -2.3286511 0.164517 ] [ -0.1410503 0.0162114 -1.4594018 ] [ 0.0218895 3.3664434 1.3048217 ] [ 1.0528104 0.9994932 0.6061884 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.574932307608e-11 -5.582491557291318e-09 -9.327016723982093e-10 ] [ -2.986393134106368e-11 4.758433000896571e-09 -1.127608380930474e-09 ] [ 1.766724325415374e-09 -2.466006167670528e-09 1.073168341967635e-09 ] [ -3.298481118072e-09 -3.730910350420204e-09 2.635852911241536e-10 ] [ -2.259874930168262e-10 2.597352607043712e-11 -2.338219444313438e-09 ] [ 3.50708451410016e-11 5.393636910726462e-09 2.090554822052511e-09 ] [ 1.686788209015097e-09 1.601364637688579e-09 9.712208822801588e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -22.851271 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.661177215176504e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5773775 2.0885389 2.9309132 ] [ 2.9029529 4.4405035 3.0804244 ] [ 5.6576368 2.6907548 1.7143909 ] [ 3.4025327 3.0904125 0.93706 ] [ 4.7636015 1.7011742 3.6845355 ] [ 4.7882248 4.9571025 1.6393331 ] [ 5.1580467 4.0409236 3.8578149 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5773775e-10 2.0885389e-10 2.9309132e-10 ] [ 2.9029529e-10 4.4405035e-10 3.0804244e-10 ] [ 5.6576368e-10 2.6907548e-10 1.7143909e-10 ] [ 3.4025327e-10 3.0904125e-10 9.370600000000001e-11 ] [ 4.7636015e-10 1.7011742e-10 3.6845355e-10 ] [ 4.7882248e-10 4.9571025e-10 1.6393331e-10 ] [ 5.1580467e-10 4.0409236e-10 3.8578149e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.26e-05 -7.6e-06 1.27e-05 ] [ -2.68e-05 3.37e-05 3.59e-05 ] [ 1.3e-06 4.74e-05 -1.44e-05 ] [ 2.58e-05 -2.5e-05 -3.17e-05 ] [ -4.2e-06 -2.13e-05 7.9e-06 ] [ 1.58e-05 -3.2e-05 6.9e-06 ] [ 1.05e-05 4.8e-06 -1.72e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.620919163008e-14 -1.217654231808e-14 2.034764308416e-14 ] [ -4.293833343744e-14 5.399335212096e-14 5.751814068672e-14 ] [ 2.08282960704e-15 7.594317182591999e-14 -2.307134333952e-14 ] [ 4.133615681664e-14 -4.005441552e-14 -5.078899887936e-14 ] [ -6.72914180736e-15 -3.412636202304e-14 1.265719530432e-14 ] [ 2.531439060864e-14 -5.12696518656e-14 1.105501868352e-14 ] [ 1.68228545184e-14 7.69044777984e-15 -2.755743787776e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.628085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.945854200207517e-18 } }