{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9792245 -0.8894299 -3.8765176 ] [ -2.2191207 0.432347 -0.2274968 ] [ -1.0789251 1.3118359 2.2799704 ] [ -0.1201775 -0.4213726 0.1341148 ] [ 1.9063945 -1.7053295 1.6365856 ] [ 2.8544563 1.4721117 1.0982716 ] [ -0.3634029 -0.2001627 -1.0449282 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.56889060041457e-09 -1.425023791620482e-09 -6.210865868839726e-09 ] [ -3.555423304273331e-09 6.926962554730175e-10 -3.644900542668135e-10 ] [ -1.728628570814302e-09 2.101792809306127e-09 3.652915270996024e-09 ] [ -1.92545580846192e-10 -6.751133283657101e-10 2.148755970632678e-10 ] [ 3.054380697921706e-09 -2.732239055660554e-09 2.622099186257941e-09 ] [ 4.573343148955271e-09 2.358582948946143e-09 1.759625080808609e-09 ] [ -5.822356303109203e-10 -3.206959982962041e-10 -1.674159532454627e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.398625 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.10800234506664e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2792639 2.6241131 1.265322 ] [ 1.102547 1.6193066 3.1654576 ] [ 1.7529352 3.9808219 3.2360196 ] [ 4.2820349 1.7012786 1.9646775 ] [ 3.2023596 1.1829523 4.0266441 ] [ 5.3565021 3.4183895 3.0629609 ] [ 3.5929822 3.4775281 4.5447412 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2792639e-10 2.6241131e-10 1.265322e-10 ] [ 1.102547e-10 1.6193066e-10 3.1654576e-10 ] [ 1.7529352e-10 3.9808219e-10 3.2360196e-10 ] [ 4.2820349e-10 1.7012786e-10 1.9646775e-10 ] [ 3.2023596e-10 1.1829523e-10 4.0266441e-10 ] [ 5.3565021e-10 3.4183895e-10 3.0629609e-10 ] [ 3.5929822e-10 3.4775281e-10 4.5447412e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.7e-06 -7.9e-06 -1.84e-05 ] [ 1.15e-05 -5.07e-05 1.93e-05 ] [ 5.45e-05 2.78e-05 2.45e-05 ] [ 1.8e-05 2.67e-05 3.33e-05 ] [ -5.08e-05 3.44e-05 -1.65e-05 ] [ -3.04e-05 4e-07 -1.62e-05 ] [ -4.6e-06 -3.08e-05 -2.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.72370025536e-15 -1.265719530432e-14 -2.948004982272e-14 ] [ 1.84250311392e-14 -8.123035467456e-14 3.092200878144e-14 ] [ 8.731862583360001e-14 4.454051005824e-14 3.92533272096e-14 ] [ 2.88391791744e-14 4.277811577536e-14 5.335248147264001e-14 ] [ -8.139057233664001e-14 5.511487575552001e-14 -2.64359142432e-14 ] [ -4.870616927232e-14 6.408706483200001e-16 -2.595526125696e-14 ] [ -7.370012455680001e-15 -4.934703992064001e-14 -4.16565921408e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.541842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611601224216751e-18 } }