{ "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" [ [ 1.103512 1.466985 2.426499 ] [ 2.074865 2.595365 4.552024 ] [ 1.591542 3.438653 2.256813 ] [ 3.435088 2.328735 1.940231 ] [ 4.699457 2.544305 3.846061 ] [ 3.437343 0.6039955 3.482177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.103512e-10 1.466985e-10 2.426499e-10 ] [ 2.074865e-10 2.595365e-10 4.552024e-10 ] [ 1.591542e-10 3.438653e-10 2.256813e-10 ] [ 3.435088e-10 2.328735e-10 1.940231e-10 ] [ 4.699457e-10 2.544305e-10 3.846061e-10 ] [ 3.437343e-10 6.039955e-11 3.482177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.8382041 -7.1364434 -1.7235137 ] [ -2.8747096 2.6178472 9.5368711 ] [ -2.2493167 7.4579853 -1.7307907 ] [ 7.8055856 1.7477222 -10.4535313 ] [ 4.0818003 2.5346543 2.5021368 ] [ 1.0748445 -7.2217655 1.8688278 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.255818735807871e-08 -1.143384277114246e-08 -2.761373355768505e-09 ] [ -4.60579251270932e-09 4.194253580666742e-09 1.527975191200318e-08 ] [ -3.603802629515007e-09 1.194900968593007e-08 -2.773032395038066e-09 ] [ 1.250592675997314e-08 2.800159648493142e-09 -1.674840345366103e-08 ] [ 6.539765011434427e-09 4.060963861270189e-09 4.008865083003326e-09 ] [ 1.722090728895465e-09 -1.157054384500002e-08 2.994192209461098e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.1818539 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.495715308581302e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.1386251 0.9165204 2.4561183 ] [ 2.4174308 3.4374391 4.6546857 ] [ 1.5321076 3.2403546 2.4015722 ] [ 3.8451479 3.1256806 1.6695487 ] [ 4.2966347 2.1323661 3.8394893 ] [ 3.1118609 0.1256777 3.4823909 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1386251e-10 9.165204e-11 2.4561183e-10 ] [ 2.4174308e-10 3.4374391e-10 4.6546857e-10 ] [ 1.5321076e-10 3.2403546e-10 2.4015722e-10 ] [ 3.8451479e-10 3.1256806e-10 1.6695487e-10 ] [ 4.2966347e-10 2.1323661e-10 3.8394893e-10 ] [ 3.1118609e-10 1.256777e-11 3.4823909e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.2e-06 0.0 -2.37e-05 ] [ 1.55e-05 -1.9e-06 -9e-06 ] [ 1.22e-05 -3.3e-06 1.79e-05 ] [ -1.46e-05 -2e-07 6.1e-06 ] [ -1.57e-05 1.19e-05 -9.8e-06 ] [ -5.6e-06 -6.5e-06 1.84e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.313784829056e-14 0.0 -3.797158591296e-14 ] [ 2.48337376224e-14 -3.04413557952e-15 -1.44195895872e-14 ] [ 1.954655477376e-14 -5.28718284864e-15 2.867896151232001e-14 ] [ -2.339177866368e-14 -3.2043532416e-16 9.77327738688e-15 ] [ -2.515417294656e-14 1.906590178752e-14 -1.570133088384e-14 ] [ -8.972189076479999e-15 -1.04141480352e-14 2.948004982272e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.5540646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.53072989357329e-18 } }