{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0755506 0.3541964 0.6731301 ] [ 0.5631114 0.1579036 2.39025 ] [ 0.1113923 2.692001 2.732528 ] [ 1.634511 1.700059 1.731597 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.555059999999999e-12 3.541964e-11 6.731301e-11 ] [ 5.631114000000001e-11 1.579036e-11 2.39025e-10 ] [ 1.113923e-11 2.692001e-10 2.732528e-10 ] [ 1.634511e-10 1.700059e-10 1.731597e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.5467835 -1.1782322 -11.1335824 ] [ -0.2923316 -6.7496632 11.087932 ] [ -2.2156217 3.0831513 2.0187648 ] [ 7.0547368 4.8447441 -1.9731143 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.284750223539197e-09 -1.88773608471375e-09 -1.783796542703036e-08 ] [ -4.683668550410574e-10 -1.081415257731411e-08 1.776482542342019e-08 ] [ -3.549817288277151e-09 4.939752931249127e-09 3.234417765453988e-09 ] [ 1.13029343668574e-08 7.762135730778736e-09 -3.161277601626157e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.4461975 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.317063823559408e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6345752 0.1735637 0.6748932 ] [ -0.2861153 0.2045402 2.7445215 ] [ 0.5577067 2.2785169 3.0888591 ] [ 1.4783987 2.2475392 1.0192312 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.345752000000001e-11 1.735637e-11 6.748932e-11 ] [ -2.861153e-11 2.045402e-11 2.7445215e-10 ] [ 5.577067e-11 2.2785169e-10 3.0888591e-10 ] [ 1.4783987e-10 2.2475392e-10 1.0192312e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.9e-06 -1.18e-05 5.8e-06 ] [ 1.5e-06 -6.1e-06 -1.08e-05 ] [ 7.6e-06 7.8e-06 -7.6e-06 ] [ -1.3e-06 1.01e-05 1.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.265719530432e-14 -1.890568412544e-14 9.292624400640001e-15 ] [ 2.4032649312e-15 -9.77327738688e-15 -1.730350750464e-14 ] [ 1.217654231808e-14 1.249697764224e-14 -1.217654231808e-14 ] [ -2.08282960704e-15 1.618198387008e-14 2.018742542208e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.4872904 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.039378501122028e-18 } }