{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9690879 -5.7041822 0.3344104 ] [ 2.5437341 -3.7043872 -2.866246 ] [ -0.0985899 -2.4371912 0.6621939 ] [ 3.2801938 5.0890913 0.7523754 ] [ -0.7791153 -1.0975207 -8.0143041 ] [ 4.1686892 0.5301229 5.9634328 ] [ -3.1458241 7.3240671 3.1681375 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.563533159672127e-09 -9.139107436918715e-09 5.357845290465935e-10 ] [ 4.075511338129019e-09 -5.935082615128685e-09 -4.592232368495963e-09 ] [ -1.579584341283966e-10 -3.90481079323042e-09 1.060951593757332e-09 ] [ 5.255449861351668e-09 8.153623169152683e-09 1.205438285876403e-09 ] [ -1.2482803288519e-09 -1.758422020871324e-09 -1.28403307667904e-08 ] [ 6.678976430648152e-09 8.493505235283184e-10 9.554472690589193e-09 ] [ -5.040165867694079e-09 1.173444917346814e-08 5.075915875799174e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.068288064916391 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.093770578399011e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9825176 2.3457382 3.1953577 ] [ 5.9435109 2.2356011 1.6130254 ] [ 4.2254041 1.3416492 3.1270761 ] [ 5.5453714 4.4662944 2.3274847 ] [ 3.5463848 3.0878519 1.3057556 ] [ 4.7843189 3.3305961 4.3878929 ] [ 2.8694012 4.5407241 3.3963906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9825176e-10 2.3457382e-10 3.1953577e-10 ] [ 5.9435109e-10 2.2356011e-10 1.6130254e-10 ] [ 4.2254041e-10 1.3416492e-10 3.1270761e-10 ] [ 5.5453714e-10 4.4662944e-10 2.3274847e-10 ] [ 3.5463848e-10 3.0878519e-10 1.3057556e-10 ] [ 4.7843189e-10 3.3305961e-10 4.3878929e-10 ] [ 2.8694012e-10 4.5407241e-10 3.3963906e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.67e-05 -2.57e-05 1.28e-05 ] [ 2.33e-05 1.63e-05 7.78e-05 ] [ -1.12e-05 3.88e-05 -5.89e-05 ] [ -1.9e-05 -4.86e-05 -2.07e-05 ] [ -1.48e-05 -7e-06 -2.71e-05 ] [ 2.86e-05 8.4e-06 -1.55e-05 ] [ 9.7e-06 1.78e-05 3.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.67563497878e-14 -4.11759394938e-14 2.05078609152e-14 ] [ 3.733071557219999e-14 2.61154791342e-14 1.246493421252e-13 ] [ -1.79443783008e-14 6.21644533992e-14 -9.436820374259999e-14 ] [ -3.0441356046e-14 -7.786578441239999e-14 -3.316505632379999e-14 ] [ -2.37122141832e-14 -1.1215236438e-14 -4.34189867814e-14 ] [ 4.58222517324e-14 1.34582837256e-14 -2.4833737827e-14 ] [ 1.55411133498e-14 2.851874408519999e-14 5.06287816344e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.180097064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.912772672126102e-18 } }