{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5646847 0.6723734 -0.138309 ] [ -3.2112361 -0.4691565 4.0431819 ] [ 4.3777986 -1.6050888 -2.3852913 ] [ 0.986979 1.4991065 -0.4224694 ] [ -1.5888569 -0.0972346 -1.0971121 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.047246244634619e-10 1.077260941927807e-09 -2.215954462462272e-10 ] [ -5.144967403288971e-09 -7.516715757963551e-10 6.477891513821724e-09 ] [ 7.014006567490971e-09 -2.571635749667927e-09 -3.821657954657639e-09 ] [ 1.581314679020563e-09 2.401833386389315e-09 -6.768705956834035e-10 ] [ -2.545629378976763e-09 -1.557870028528397e-10 -1.757767357016792e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.799221 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.89044360298524e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.224802 1.9993928 0.1960611 ] [ 1.3292245 1.6380908 2.6136684 ] [ 3.1122837 0.8785161 1.1850806 ] [ 1.956829 3.7604898 1.6656905 ] [ 4.155827 2.9651034 1.4518072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.224802e-10 1.9993928e-10 1.960611e-11 ] [ 1.3292245e-10 1.6380908e-10 2.6136684e-10 ] [ 3.1122837e-10 8.785161000000001e-11 1.1850806e-10 ] [ 1.956829e-10 3.7604898e-10 1.6656905e-10 ] [ 4.155827000000001e-10 2.9651034e-10 1.4518072e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.94e-05 1.69e-05 1.53e-05 ] [ -3.4e-06 1.31e-05 -3.7e-06 ] [ 1.81e-05 -1.34e-05 -9.6e-06 ] [ -3.3e-06 -2.97e-05 -2.37e-05 ] [ 1.8e-05 1.3e-05 2.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.710399265152e-14 2.707678489152e-14 2.451330229824e-14 ] [ -5.44740051072e-15 2.098851373248e-14 -5.928053496960001e-15 ] [ 2.899939683648e-14 -2.146916671872e-14 -1.538089555968e-14 ] [ -5.28718284864e-15 -4.758464563776e-14 -3.797158591296e-14 ] [ 2.88391791744e-14 2.08282960704e-14 3.460701500928e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.214602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.277430299837692e-18 } }