{ "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" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6781533 3.1454212 -1.5373341 ] [ 1.5125806 -7.4898394 3.0849766 ] [ -7.7679175 0.5969228 -3.6566725 ] [ -2.1622831 -0.8479484 -1.7869108 ] [ -0.6259506 2.9084526 1.9443824 ] [ 3.8336802 -2.7504175 -4.4033784 ] [ 4.531737 4.4374088 6.3549367 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.086521371529992e-09 5.03952035072824e-09 -2.463080773671419e-09 ] [ 2.4234212943617e-09 -1.200004567909258e-08 4.942677424956764e-09 ] [ -1.244557591333969e-08 9.56375762461855e-10 -5.858635237690365e-09 ] [ -3.464359458913085e-09 -1.358563113317685e-09 -2.862946730802247e-09 ] [ -1.00288342535828e-09 4.659854796816548e-09 3.115244048840841e-09 ] [ 6.142232838668446e-09 -4.406654652244695e-09 -7.054989983140305e-09 ] [ 7.260643132833257e-09 7.109512694865979e-09 1.018173109128907e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -19.974698 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.200299440680653e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5905384 2.5738831 1.101871 ] [ 3.2191126 2.4562197 3.5846113 ] [ 1.7838849 4.3296562 2.5829882 ] [ 4.9059562 2.100938 1.6869292 ] [ 5.5303293 3.5644518 3.5295979 ] [ 4.1454849 4.5480997 1.6093029 ] [ 3.6007787 4.9418715 4.0833995 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5905384e-10 2.5738831e-10 1.101871e-10 ] [ 3.2191126e-10 2.4562197e-10 3.5846113e-10 ] [ 1.7838849e-10 4.3296562e-10 2.5829882e-10 ] [ 4.905956200000001e-10 2.100938e-10 1.6869292e-10 ] [ 5.5303293e-10 3.5644518e-10 3.5295979e-10 ] [ 4.1454849e-10 4.5480997e-10 1.6093029e-10 ] [ 3.6007787e-10 4.9418715e-10 4.0833995e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.74e-05 -2.37e-05 6.61e-05 ] [ -2.61e-05 4.4e-05 1.52e-05 ] [ 7.04e-05 1.19e-05 -1.36e-05 ] [ 4.03e-05 5.32e-05 -4.09e-05 ] [ -5.4e-05 -1.39e-05 9e-06 ] [ -1.54e-05 1.4e-06 2.67e-05 ] [ 2.1e-06 -7.3e-05 -6.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.78778734316e-14 -3.79715862258e-14 1.059038755074e-13 ] [ -4.18168101474e-14 7.049577189599999e-14 2.43530848368e-14 ] [ 1.127932350336e-13 1.90659019446e-14 -2.17896022224e-14 ] [ 6.456771835019998e-14 8.523579692879999e-14 -6.552902433059999e-14 ] [ -8.651753823599998e-14 -2.22702552126e-14 1.4419589706e-14 ] [ -2.46735201636e-14 2.2430472876e-15 4.277811612779999e-14 ] [ 3.364570931399999e-15 -1.16958894282e-13 -1.00136039625e-13 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }