{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5086404 -3.5589272 -4.7215452 ] [ -5.896967 -3.1225762 0.974096 ] [ 2.4700498 2.5880075 1.3382021 ] [ -5.2913568 5.4515931 1.052129 ] [ -1.0209574 -0.2745071 -0.4034013 ] [ 3.9945585 -0.9226899 -0.5859022 ] [ 3.2360325 -0.1609002 2.3464216 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.019285031988413e-09 -5.702030001947044e-09 -7.564749395814856e-09 ] [ -9.447982738869077e-09 -5.002918625524511e-09 1.560673850472864e-09 ] [ 3.957456074376373e-09 4.146445145116754e-09 2.144036136189731e-09 ] [ -8.47768822711701e-09 8.734415082895624e-09 1.685696499753786e-09 ] [ -1.635754090589391e-09 -4.398088614871014e-10 -6.463201369852241e-10 ] [ 6.399988291846088e-09 -1.478312198207796e-09 -9.387188146491948e-10 ] [ 5.184695658364604e-09 -2.577905408459268e-10 3.759381861032895e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.698907 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.995895187673903e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3351529 0.9769 1.9030105 ] [ 0.9317065 1.2428874 3.8439204 ] [ 2.3731178 2.5918929 5.2203519 ] [ 2.004067 3.2625054 2.9114398 ] [ 4.2775603 0.1523587 3.0669204 ] [ 4.2627775 2.5263186 2.3869533 ] [ 4.5431032 1.8845796 4.7164597 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3351529e-10 9.769e-11 1.9030105e-10 ] [ 9.317065e-11 1.2428874e-10 3.8439204e-10 ] [ 2.373117800000001e-10 2.5918929e-10 5.2203519e-10 ] [ 2.004067e-10 3.2625054e-10 2.9114398e-10 ] [ 4.2775603e-10 1.523587e-11 3.0669204e-10 ] [ 4.262777500000001e-10 2.526318600000001e-10 2.3869533e-10 ] [ 4.5431032e-10 1.8845796e-10 4.7164597e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.63e-05 -3.62e-05 -1.89e-05 ] [ -2.23e-05 2.09e-05 -6.19e-05 ] [ 4.76e-05 -2.27e-05 4.21e-05 ] [ -1.49e-05 2.74e-05 2.99e-05 ] [ 3.35e-05 -4.57e-05 3.15e-05 ] [ -4.6e-06 2.03e-05 -3.55e-05 ] [ -1.3e-05 3.58e-05 1.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.21372454742e-14 -5.799879415079998e-14 -3.02811383826e-14 ] [ -3.572853893819999e-14 3.34854916506e-14 -9.917473364459999e-14 ] [ 7.62636077784e-14 -3.636940959179999e-14 6.745163629139998e-14 ] [ -2.38724318466e-14 4.389963977159999e-14 4.790508135659999e-14 ] [ 5.367291723899999e-14 -7.32194721738e-14 5.046856397099999e-14 ] [ -7.370012516399999e-15 3.252418567019999e-14 -5.6877270507e-14 ] [ -2.082829624199999e-14 5.735792349719999e-14 2.06680785786e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.946238 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.516174972780289e-18 } }