{ "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" [ [ -5.0085846 -6.1231079 -2.2160853 ] [ -3.3451989 -4.1740078 2.6759718 ] [ -0.4353255 -0.212553 1.9723023 ] [ 0.101083 7.9990175 -4.617894 ] [ 0.1379997 -3.5720883 -1.0072996 ] [ 5.6768051 5.396138 -0.8964965 ] [ 2.8732213 0.6866015 4.0895014 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.024637215532236e-09 -9.810300404840806e-09 -3.55056008661088e-09 ] [ -5.359599513662502e-09 -6.687497767293745e-09 4.287379491202921e-09 ] [ -6.974683442843668e-10 -3.405474500866019e-10 3.159976660244458e-09 ] [ 1.61952820694622e-10 1.281583893345709e-08 -7.398681865088794e-09 ] [ 2.210998948390098e-10 -5.723116408844782e-09 -1.613871882557546e-09 ] [ 9.095244486992032e-09 8.645566217439491e-09 -1.436345744762781e-09 ] [ 4.603408031171104e-09 1.100056880169351e-09 6.552103587790287e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.382769 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.663502988801955e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9698811 0.895686 2.1806476 ] [ 0.7639166 0.7336528 4.4044434 ] [ 2.2810814 2.7418878 4.9041768 ] [ 2.3869011 3.3060574 2.5394851 ] [ 4.2906803 0.6235223 2.8596627 ] [ 4.8539226 2.9919422 2.0485641 ] [ 4.1811018 1.344694 5.1120761 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9698811e-10 8.95686e-11 2.1806476e-10 ] [ 7.639166e-11 7.336528e-11 4.4044434e-10 ] [ 2.2810814e-10 2.7418878e-10 4.904176800000001e-10 ] [ 2.386901100000001e-10 3.3060574e-10 2.5394851e-10 ] [ 4.2906803e-10 6.235223e-11 2.8596627e-10 ] [ 4.8539226e-10 2.9919422e-10 2.0485641e-10 ] [ 4.1811018e-10 1.344694e-10 5.1120761e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.7e-06 4.1e-06 2.33e-05 ] [ 5.6e-06 -5.3e-06 -7.3e-06 ] [ -9.6e-06 1.42e-05 -1.3e-05 ] [ -0.0 5e-06 1e-06 ] [ 9e-06 -4.5e-06 -2e-06 ] [ -2.4e-06 2.5e-06 -5e-07 ] [ 1.1e-06 -1.6e-05 -1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.9280535458e-15 6.568924199399999e-15 3.733071557219999e-14 ] [ 8.972189150399999e-15 -8.4915361602e-15 -1.16958894282e-14 ] [ -1.53808956864e-14 2.27509082028e-14 -2.082829624199999e-14 ] [ 0.0 8.010883169999999e-15 1.602176634e-15 ] [ 1.4419589706e-14 -7.209794853e-15 -3.204353268e-15 ] [ -3.845223921599999e-15 4.005441585e-15 -8.010883169999999e-16 ] [ 1.7623942974e-15 -2.5634826144e-14 -2.403264951e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.978138 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.040632926042749e-18 } }