{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1614674 0.3607185 -0.1305361 ] [ -1.1665823 0.3115319 0.7074606 ] [ 0.3721452 -0.8436743 -0.2011896 ] [ 0.7213023 0.6632433 4.137503 ] [ -0.3050833 -0.0253212 1.1208088 ] [ 2.3566434 -0.1227878 -5.3328038 ] [ 0.1830421 -0.3437104 -0.3012429 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.463052534901362e-09 5.779347473900447e-10 -2.091418875904109e-10 ] [ -1.869070887299092e-09 4.991291268134035e-10 1.133476833457141e-09 ] [ 5.962423389829402e-10 -1.351715239029805e-09 -3.223412734681037e-10 ] [ 1.155653681589268e-09 1.062632909162241e-09 6.629010575089862e-09 ] [ -4.887973306565126e-10 -4.056903465060096e-11 1.795733655746903e-09 ] [ 3.775758959042622e-09 -1.967277424794663e-10 -8.544093571673399e-09 ] [ 2.932657732421357e-10 -5.506847672058163e-10 -4.826443315619923e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.418513 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.111188753930087e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6097338 2.9114594 1.5419209 ] [ 2.6791155 2.6452521 3.714361 ] [ 3.2823362 1.2472453 1.812883 ] [ 5.0250275 3.2990146 3.6574872 ] [ 3.274758 4.506804 1.081003 ] [ 4.9443707 2.8455592 1.351463 ] [ 3.3524253 4.9632464 3.3865408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6097338e-10 2.9114594e-10 1.5419209e-10 ] [ 2.6791155e-10 2.6452521e-10 3.714361e-10 ] [ 3.2823362e-10 1.2472453e-10 1.812883e-10 ] [ 5.0250275e-10 3.2990146e-10 3.6574872e-10 ] [ 3.274758e-10 4.506804e-10 1.081003e-10 ] [ 4.944370700000001e-10 2.8455592e-10 1.351463e-10 ] [ 3.3524253e-10 4.9632464e-10 3.3865408e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.31e-05 4.6e-05 1.69e-05 ] [ -1.31e-05 -2.73e-05 4.37e-05 ] [ 3.68e-05 -3.64e-05 -1.91e-05 ] [ -5.9e-05 4.06e-05 -1.69e-05 ] [ 1.69e-05 -2.7e-06 -9.2e-06 ] [ -1.5e-06 3.5e-06 -2.9e-06 ] [ 3.32e-05 -2.37e-05 -1.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.098851373248e-14 7.37001245568e-14 2.707678489152e-14 ] [ -2.098851373248e-14 -4.373942174784e-14 7.001511832895999e-14 ] [ 5.896009964544001e-14 -5.831922899712e-14 -3.060157345728e-14 ] [ -9.45284206272e-14 6.504837080448e-14 -2.707678489152e-14 ] [ 2.707678489152e-14 -4.32587687616e-15 -1.474002491136e-14 ] [ -2.4032649312e-15 5.6076181728e-15 -4.646312200320001e-15 ] [ 5.319226381056e-14 -3.797158591296e-14 -1.986699009792e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.906032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669950894569667e-18 } }