{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.229662 1.543061 1.287817 ] [ 2.031016 3.038651 3.160637 ] [ 0.5900505 3.664885 1.130231 ] [ 2.845897 4.610953 2.071813 ] [ 3.999567 2.736591 1.793936 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.229662e-10 1.543061e-10 1.287817e-10 ] [ 2.031016e-10 3.038651e-10 3.160637e-10 ] [ 5.900505000000001e-11 3.664885e-10 1.130231e-10 ] [ 2.845897e-10 4.610953e-10 2.071813e-10 ] [ 3.999567e-10 2.736591e-10 1.793936e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.7329811 -10.1472634 -6.1573995 ] [ -22.2755684 -7.8339115 25.228728 ] [ -1.9008946 0.2713262 -2.1509538 ] [ 7.3428376 13.495594 -7.9887292 ] [ 26.5666065 4.2142547 -8.9316455 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.559395476910827e-08 -1.625770818457952e-08 -9.86524152382561e-09 ] [ -3.568939490551126e-08 -1.255130985471626e-08 4.042087817412234e-08 ] [ -3.045568886724968e-09 4.34712494250505e-10 -3.446207890780919e-09 ] [ 1.176452273305118e-08 2.162232519060876e-08 -1.279935515414229e-08 ] [ 4.256439582829332e-08 6.751980354436518e-09 -1.431007360537353e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.8827504 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.102738177768185e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0437459 1.4220445 1.1167333 ] [ 1.9515448 2.8665612 3.4580138 ] [ 0.6895646 3.6483221 1.1400374 ] [ 2.8285718 4.9417409 1.8765017 ] [ 4.1827654 2.7154723 1.8531478 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0437459e-10 1.4220445e-10 1.1167333e-10 ] [ 1.9515448e-10 2.8665612e-10 3.4580138e-10 ] [ 6.895646e-11 3.6483221e-10 1.1400374e-10 ] [ 2.8285718e-10 4.9417409e-10 1.8765017e-10 ] [ 4.1827654e-10 2.7154723e-10 1.8531478e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.07e-05 2.15e-05 4.1e-06 ] [ 7.6e-06 2.3e-06 -1.49e-05 ] [ 2.9e-06 -1e-07 8.7e-06 ] [ -8.2e-06 -1.66e-05 -5.8e-06 ] [ -1.3e-05 -7e-06 8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.714328984256e-14 3.44467973472e-14 6.568924145279999e-15 ] [ 1.217654231808e-14 3.68500622784e-15 -2.387243164992e-14 ] [ 4.646312200320001e-15 -1.6021766208e-16 1.393893660096e-14 ] [ -1.313784829056e-14 -2.659613190528e-14 -9.292624400640001e-15 ] [ -2.08282960704e-14 -1.12152363456e-14 1.28174129664e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.98496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.561072919642317e-18 } }