{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6896525 -6.4484795 -0.3324026 ] [ -3.043867 4.9079706 -1.5000335 ] [ -4.6016429 5.0311527 1.287688 ] [ 3.6679433 -5.3935132 1.5103338 ] [ -1.1917106 1.1726962 -1.384741 ] [ 6.6418791 2.2971421 -1.8078033 ] [ 1.2170506 -1.5669689 2.2269586 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.309298353576272e-09 -1.033160309460807e-08 -5.325676744131341e-10 ] [ -4.876812544224633e-09 7.863435750893749e-09 -2.403318604116797e-09 ] [ -7.372644671650313e-09 8.060795231614796e-09 2.06310360848471e-09 ] [ 5.876693001680001e-09 -8.641360753016196e-09 2.419821503964023e-09 ] [ -1.909330862079541e-09 1.878866434941001e-09 -2.218599656063213e-09 ] [ 1.064146341220014e-08 3.680427367275415e-09 -2.896420182265089e-09 ] [ 1.949930017650612e-09 -2.510560937100693e-09 3.567981004409499e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.476251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.800004077143262e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8663126 1.8564446 3.102777 ] [ 3.2593874 3.9453308 0.8907974 ] [ 2.1158286 4.2508212 2.9900728 ] [ 3.4428085 1.6395573 1.3598336 ] [ 5.1976685 2.0754591 2.8766391 ] [ 4.6253341 4.4158039 2.8197447 ] [ 3.5759472 2.8422361 4.4860186 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8663126e-10 1.8564446e-10 3.102777e-10 ] [ 3.2593874e-10 3.9453308e-10 8.907974e-11 ] [ 2.1158286e-10 4.2508212e-10 2.9900728e-10 ] [ 3.4428085e-10 1.6395573e-10 1.3598336e-10 ] [ 5.1976685e-10 2.0754591e-10 2.8766391e-10 ] [ 4.6253341e-10 4.4158039e-10 2.8197447e-10 ] [ 3.5759472e-10 2.8422361e-10 4.4860186e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.33e-05 1.07e-05 -7.2e-06 ] [ -1.61e-05 -5.5e-06 1.04e-05 ] [ 1.44e-05 -9.5e-06 2.55e-05 ] [ 2.53e-05 -3.38e-05 -3.17e-05 ] [ -7.5e-05 3.04e-05 1.58e-05 ] [ 3.08e-05 3.7e-06 -6.7e-06 ] [ -2.7e-06 4.1e-06 -6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.733071526464e-14 1.714328984256e-14 -1.153567166976e-14 ] [ -2.579504359488e-14 -8.8119714144e-15 1.666263685632e-14 ] [ 2.307134333952e-14 -1.52206778976e-14 4.08555038304e-14 ] [ 4.053506850624e-14 -5.415356978304e-14 -5.078899887936e-14 ] [ -1.2016324656e-13 4.870616927232e-14 2.531439060864e-14 ] [ 4.934703992064001e-14 5.928053496960001e-15 -1.073458335936e-14 ] [ -4.32587687616e-15 6.568924145279999e-15 -9.6130597248e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.450209 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.596919999187375e-18 } }