{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3469929 -5.7953577 -19.9272585 ] [ 0.4337889 -5.4918956 -1.0239314 ] [ -5.4550006 6.6720376 16.9573723 ] [ -5.9327735 4.8165349 -5.8397511 ] [ 13.6825196 -14.751024 17.8791269 ] [ 5.2881142 18.2535353 -14.8113372 ] [ -3.6696557 -3.7038305 6.765779 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.964650452543898e-09 -9.285186692611982e-09 -3.192698794837788e-08 ] [ 6.950064396685625e-10 -8.79898680668741e-09 -1.640518963898908e-09 ] [ -8.73987449977598e-09 1.068978274388944e-08 2.716870567309884e-08 ] [ -9.505351076514398e-09 7.716939673625526e-09 -9.356312760795798e-09 ] [ 2.192181319736702e-08 -2.363374598037321e-08 2.864551935550085e-08 ] [ 8.472493009163602e-09 2.924538774555418e-08 -2.373037838013498e-08 ] [ -5.879436617364913e-09 -5.934190683396536e-09 1.083997302460788e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.297715 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.130528825859131e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8245021 1.4914736 1.1401567 ] [ 1.3905715 2.7935533 5.4898325 ] [ 1.7030706 1.4568613 3.3722194 ] [ 0.7855068 3.7855117 3.1556186 ] [ 4.1746792 1.5693624 3.3509014 ] [ 4.1356583 3.5435017 1.6723146 ] [ 3.1634365 3.742447 3.9649447 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8245021e-10 1.4914736e-10 1.1401567e-10 ] [ 1.3905715e-10 2.7935533e-10 5.4898325e-10 ] [ 1.7030706e-10 1.4568613e-10 3.3722194e-10 ] [ 7.855068e-11 3.7855117e-10 3.1556186e-10 ] [ 4.1746792e-10 1.5693624e-10 3.3509014e-10 ] [ 4.1356583e-10 3.543501700000001e-10 1.6723146e-10 ] [ 3.1634365e-10 3.742447e-10 3.964944700000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.38e-05 -2.75e-05 4.69e-05 ] [ 2.81e-05 6e-05 4.4e-06 ] [ -5.49e-05 4.1e-06 -6.35e-05 ] [ 1.39e-05 -5.99e-05 2.23e-05 ] [ 1.57e-05 -5.63e-05 -4.66e-05 ] [ -7.8e-06 5.47e-05 6.66e-05 ] [ -8.8e-06 2.48e-05 -3.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.21100375492e-14 -4.4059857435e-14 7.514208413459999e-14 ] [ 4.50211634154e-14 9.613059803999999e-14 7.0495771896e-15 ] [ -8.795949720659999e-14 6.568924199399999e-15 -1.01738216259e-13 ] [ 2.22702552126e-14 -9.597038037659999e-14 3.572853893819999e-14 ] [ 2.515417315379999e-14 -9.02025444942e-14 -7.466143114439999e-14 ] [ -1.24969777452e-14 8.76390618798e-14 1.067049638244e-13 ] [ -1.40991543792e-14 3.97339805232e-14 -4.838573434679999e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.048536 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.013217909510782e-18 } }