{ "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" [ [ 2.476712 2.310837 1.57832 ] [ 2.970546 4.476183 1.171414 ] [ 2.629523 3.538885 3.808943 ] [ 5.406765 3.077785 1.539132 ] [ 4.254834 1.46676 3.134429 ] [ 4.456572 4.8029 2.877728 ] [ 4.871099 3.222036 4.56833 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.476712e-10 2.310837e-10 1.57832e-10 ] [ 2.970546e-10 4.476183e-10 1.171414e-10 ] [ 2.629523e-10 3.538885e-10 3.808943e-10 ] [ 5.406765000000001e-10 3.077785e-10 1.539132e-10 ] [ 4.254834e-10 1.46676e-10 3.134429e-10 ] [ 4.456572000000001e-10 4.8029e-10 2.877728e-10 ] [ 4.871099000000001e-10 3.222036e-10 4.56833e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4437656 -17.1720708 3.1856124 ] [ -3.9950547 15.787277 -12.6644189 ] [ -13.721864 -1.5133657 1.0778343 ] [ 2.8135883 -2.9024377 -2.9817634 ] [ -1.1644243 -7.0646368 -4.6016649 ] [ 9.542834 14.2049757 2.3467374 ] [ 10.9686862 -1.3397416 13.637663 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.119697352635285e-09 -2.751269036648235e-08 5.103913710210579e-09 ] [ -6.400783239157158e-09 2.529400611549356e-08 -2.029063587759765e-08 ] [ -2.198484969459717e-08 -2.424679143260627e-09 1.726880916556333e-09 ] [ 4.507865394816417e-09 -4.650217826268524e-09 -4.77731160823712e-09 ] [ -1.865613390151406e-09 -1.131879591540333e-08 -7.37267991953597e-09 ] [ 1.528930553097535e-08 2.275887996557211e-08 3.759887797436978e-09 ] [ 1.757377259053159e-08 -2.146502669433185e-09 2.184994482094919e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.923922 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.711511216064278e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0950117 2.3045208 1.6651948 ] [ 2.7688323 4.6163096 0.8434619 ] [ 2.4872951 3.4284421 4.0159722 ] [ 5.9714456 3.0178939 1.6208506 ] [ 4.2732958 1.587677 2.9010908 ] [ 4.4614962 4.7526829 2.7563722 ] [ 5.0086742 3.1878598 4.8753536 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0950117e-10 2.3045208e-10 1.6651948e-10 ] [ 2.7688323e-10 4.6163096e-10 8.434619e-11 ] [ 2.4872951e-10 3.4284421e-10 4.0159722e-10 ] [ 5.9714456e-10 3.0178939e-10 1.6208506e-10 ] [ 4.2732958e-10 1.587677e-10 2.9010908e-10 ] [ 4.4614962e-10 4.7526829e-10 2.7563722e-10 ] [ 5.0086742e-10 3.1878598e-10 4.875353600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-06 1.43e-05 -5.13e-05 ] [ -1.45e-05 -1.98e-05 -3.78e-05 ] [ 2.17e-05 1.56e-05 3.2e-05 ] [ -4.3e-05 -7.2e-06 -1.62e-05 ] [ 2.06e-05 -3.45e-05 1e-07 ] [ 1.07e-05 1.42e-05 5.15e-05 ] [ 2.4e-06 1.75e-05 2.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-15 2.291112567744e-14 -8.219166064704e-14 ] [ -2.32315610016e-14 -3.172309709184e-14 -6.056227626623999e-14 ] [ 3.476723267136e-14 2.499395528448e-14 5.12696518656e-14 ] [ -6.889359469439999e-14 -1.153567166976e-14 -2.595526125696e-14 ] [ 3.300483838848e-14 -5.52750934176e-14 1.6021766208e-16 ] [ 1.714328984256e-14 2.275090801536e-14 8.25120959712e-14 ] [ 3.84522388992e-15 2.8038090864e-14 3.476723267136e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.02744 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.849620262567475e-18 } }