{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0732922 0.9141698 0.6883546 ] [ -1.0627999 -1.1352223 -0.1487963 ] [ 0.8964724 -0.4902128 0.6079644 ] [ -0.1086886 0.8800118 -2.3838818 ] [ -0.3403344 -3.2986948 2.7331618 ] [ -1.027677 2.1058219 -2.0344623 ] [ 1.7163198 1.0241264 0.5376596 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.174270493269978e-10 1.464661481001412e-09 1.102865646940136e-09 ] [ -1.702793152368578e-09 -1.818826628470804e-09 -2.38397953121543e-10 ] [ 1.436307120472466e-09 -7.854074873769063e-10 9.740663479586994e-10 ] [ -1.741383338674829e-10 1.409934331988125e-09 -3.819399686710622e-09 ] [ -5.452758189339956e-10 -5.285091687714532e-09 4.379007936823645e-09 ] [ -1.646520063133882e-09 3.373898615748636e-09 -3.259567932958996e-09 ] [ 2.749847457376132e-09 1.640831374824069e-09 8.614256410686797e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.646037085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.225030186027396e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5476536 1.0346782 2.1408087 ] [ 2.3648375 2.6781589 3.9152605 ] [ 1.7153065 3.1050216 1.6176313 ] [ 4.122452 2.8072996 1.6299113 ] [ 4.3418499 1.3248075 3.5370639 ] [ 2.9950522 4.6746905 2.6905834 ] [ 4.6183563 3.5744607 3.8768419 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5476536e-10 1.0346782e-10 2.1408087e-10 ] [ 2.3648375e-10 2.6781589e-10 3.9152605e-10 ] [ 1.7153065e-10 3.1050216e-10 1.6176313e-10 ] [ 4.122452e-10 2.8072996e-10 1.6299113e-10 ] [ 4.3418499e-10 1.3248075e-10 3.5370639e-10 ] [ 2.9950522e-10 4.674690499999999e-10 2.6905834e-10 ] [ 4.618356300000001e-10 3.5744607e-10 3.8768419e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.96e-05 -5.5e-06 -1.59e-05 ] [ -3.5e-06 1.31e-05 7.2e-06 ] [ -8.7e-06 -2.8e-06 1.62e-05 ] [ -1.23e-05 1.12e-05 -1.9e-06 ] [ -4.4e-06 1.9e-06 5.1e-06 ] [ 6.5e-06 -1e-07 -2.32e-05 ] [ 2.8e-06 -1.78e-05 1.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.140266176767999e-14 -8.8119714144e-15 -2.547460827072e-14 ] [ -5.6076181728e-15 2.098851373248e-14 1.153567166976e-14 ] [ -1.393893660096e-14 -4.48609453824e-15 2.595526125696e-14 ] [ -1.970677243584e-14 1.794437815296e-14 -3.04413557952e-15 ] [ -7.04957713152e-15 3.04413557952e-15 8.17110076608e-15 ] [ 1.04141480352e-14 -1.6021766208e-16 -3.717049760256e-14 ] [ 4.48609453824e-15 -2.851874385024e-14 2.002720776e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }