{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.480644 1.446872 2.305559 ] [ 2.063952 3.613106 1.277693 ] [ 1.847715 3.513174 3.941338 ] [ 3.676983 1.999062 1.431631 ] [ 3.525184 1.303022 4.049537 ] [ 4.005288 3.245475 3.233925 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.480644e-10 1.446872e-10 2.305559e-10 ] [ 2.063952e-10 3.613106000000001e-10 1.277693e-10 ] [ 1.847715e-10 3.513174e-10 3.941338e-10 ] [ 3.676983e-10 1.999062e-10 1.431631e-10 ] [ 3.525184e-10 1.303022e-10 4.049537e-10 ] [ 4.005288e-10 3.245475e-10 3.233925e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.9758183 7.174725 1.2892587 ] [ 2.4026379 -5.641025 6.9600757 ] [ 3.9260663 -5.0552738 -6.2107287 ] [ -5.6302532 0.1878313 4.424303 ] [ -4.688876 -0.065704 -3.7804466 ] [ -3.9853934 3.3994464 -2.6824621 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.27786696120088e-08 1.149517665566928e-08 2.065620147303001e-09 ] [ 3.849450271628009e-09 -9.03791837234832e-09 1.11512705655382e-08 ] [ 6.29025163757076e-09 -8.099441494102775e-09 -9.950684321271576e-09 ] [ -9.020660046224387e-09 3.00938917514471e-10 7.088514829935302e-09 ] [ -7.51240750503022e-09 -1.052694126930432e-10 -6.056943158702849e-09 ] [ -6.385304130170623e-09 5.446513545742726e-09 -4.297778062802072e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.454316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.558883985605537e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5764298 1.5633195 2.3746568 ] [ 2.2432037 3.5397949 1.6442937 ] [ 1.8996276 3.2179974 3.8036628 ] [ 3.6336283 1.8222405 1.609565 ] [ 3.2900511 1.5004417 3.7689343 ] [ 3.9568256 3.4769171 3.0385705 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5764298e-10 1.5633195e-10 2.3746568e-10 ] [ 2.2432037e-10 3.5397949e-10 1.6442937e-10 ] [ 1.8996276e-10 3.2179974e-10 3.8036628e-10 ] [ 3.6336283e-10 1.8222405e-10 1.609565e-10 ] [ 3.2900511e-10 1.5004417e-10 3.768934300000001e-10 ] [ 3.956825600000001e-10 3.4769171e-10 3.0385705e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001404 -1.21e-05 -7.61e-05 ] [ -6.46e-05 -2.85e-05 -0.0001101 ] [ -1.3e-06 -6.84e-05 3.64e-05 ] [ -2.05e-05 -4.7e-06 -4.74e-05 ] [ 6.3e-05 6.83e-05 7.87e-05 ] [ 0.0001637 4.54e-05 0.0001184 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.2494559756032e-13 -1.938633711168e-14 -1.2192564084288e-13 ] [ -1.0350060970368e-13 -4.56620336928e-14 -1.7639964595008e-13 ] [ -2.08282960704e-15 -1.0958888086272e-13 5.831922899712e-14 ] [ -3.28446207264e-14 -7.53023011776e-15 -7.594317182591999e-14 ] [ 1.009371271104e-13 1.0942866320064e-13 1.2609130005696e-13 ] [ 2.6227631282496e-13 7.273881858432e-14 1.8969771190272e-13 ] ] } "relaxed-potential-energy" { "source-value" -40.305538 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.457659067236599e-18 } }