{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1583125 -1.9929971 -1.108602 ] [ -2.4619137 -1.9166833 3.2564553 ] [ 0.2893186 4.0619573 -1.4042071 ] [ 1.8689836 -0.294492 0.0749163 ] [ 0.041735 1.32433 0.340848 ] [ -1.986356 -0.6168277 2.2305246 ] [ 2.406545 -0.5652872 -3.3899351 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.536445862804e-10 -3.1931333589422e-09 -1.776176206172122e-09 ] [ -3.944420572567226e-09 -3.070865172737793e-09 5.21741654834025e-09 ] [ 4.635394968825868e-10 6.507973020747892e-09 -2.249787786381368e-09 ] [ 2.994441828578619e-09 -4.718281974126336e-10 1.200291443768391e-10 ] [ 6.686684126908801e-11 2.121810564224064e-09 5.460986968464384e-10 ] [ -3.182493143785805e-09 -9.882669200018362e-10 3.573694366239271e-09 ] [ 3.855710135903136e-09 -9.056899358774938e-10 -5.431274763249311e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.230697 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.44022666518887e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6728686 0.6414727 1.4982049 ] [ 1.7051462 1.6706876 3.3261734 ] [ 2.5240078 3.8275815 3.2057358 ] [ 5.7274076 2.3011354 2.5004549 ] [ 4.4869699 3.1821871 4.2389315 ] [ 3.5647451 1.1117771 4.5311635 ] [ 4.6225388 0.2805232 2.6838459 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6728686e-10 6.414727000000001e-11 1.4982049e-10 ] [ 1.7051462e-10 1.6706876e-10 3.3261734e-10 ] [ 2.5240078e-10 3.8275815e-10 3.2057358e-10 ] [ 5.7274076e-10 2.3011354e-10 2.5004549e-10 ] [ 4.4869699e-10 3.1821871e-10 4.2389315e-10 ] [ 3.5647451e-10 1.1117771e-10 4.5311635e-10 ] [ 4.6225388e-10 2.805232e-11 2.6838459e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.3e-06 -1.74e-05 -9.3e-06 ] [ -1e-06 -7.6e-06 -1.03e-05 ] [ 5.1e-06 1.91e-05 9.5e-06 ] [ 9.6e-06 3.4e-06 -1.28e-05 ] [ -2.5e-06 8.2e-06 1.09e-05 ] [ -5e-06 -2.5e-06 1.39e-05 ] [ 3.2e-06 -3.1e-06 -1.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.490024257344e-14 -2.787787320192e-14 -1.490024257344e-14 ] [ -1.6021766208e-15 -1.217654231808e-14 -1.650241919424e-14 ] [ 8.17110076608e-15 3.060157345728e-14 1.52206778976e-14 ] [ 1.538089555968e-14 5.44740051072e-15 -2.050786074624e-14 ] [ -4.005441552e-15 1.313784829056e-14 1.746372516672e-14 ] [ -8.010883104e-15 -4.005441552e-15 2.227025502912e-14 ] [ 5.126965186560001e-15 -4.96674752448e-15 -2.88391791744e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }