{ "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" [ [ 2.990348 2.100415 1.411886 ] [ 2.946969 3.752547 2.888488 ] [ 5.496135 2.06422 2.457996 ] [ 4.937229 4.674633 2.559339 ] [ 4.468449 3.37128 4.359326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.990348e-10 2.100415e-10 1.411886e-10 ] [ 2.946969e-10 3.752547e-10 2.888488e-10 ] [ 5.496135e-10 2.06422e-10 2.457996e-10 ] [ 4.937229e-10 4.674633e-10 2.559339e-10 ] [ 4.468449e-10 3.37128e-10 4.359326000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.318866 -0.5099421 0.2770642 ] [ -6.5695388 0.6946237 -1.4005724 ] [ 0.2298648 -1.590664 -0.9849731 ] [ 3.3932079 4.0084152 -3.1539335 ] [ 1.6276001 -2.6024327 5.2624147 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.113056271168013e-09 -8.170173105816557e-10 4.439057837006553e-10 ] [ -1.052556147479849e-08 1.112909852393593e-09 -2.243964355017746e-09 ] [ 3.682840085048679e-10 -2.548524672348212e-09 -1.578100872936901e-09 ] [ 5.436518366893864e-09 6.422189119899357e-09 -5.053158517257917e-09 ] [ 2.607702828231742e-09 -4.16955682914542e-09 8.431317801294246e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.7704776 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.245324301570096e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.2436442 2.0684411 1.6300127 ] [ 2.8533458 4.027688 2.9851334 ] [ 5.4823026 2.3575487 2.4856696 ] [ 4.9826231 4.6792769 2.0529568 ] [ 4.2772143 2.8301403 4.5232625 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2436442e-10 2.0684411e-10 1.6300127e-10 ] [ 2.8533458e-10 4.027688e-10 2.9851334e-10 ] [ 5.4823026e-10 2.3575487e-10 2.4856696e-10 ] [ 4.982623099999999e-10 4.6792769e-10 2.0529568e-10 ] [ 4.2772143e-10 2.8301403e-10 4.523262500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.4e-06 1.29e-05 -3.7e-06 ] [ 6.2e-06 -6e-07 1.32e-05 ] [ 6.7e-06 3.5e-06 1.9e-05 ] [ -1.09e-05 -1.24e-05 -1.2e-05 ] [ -3.5e-06 -3.3e-06 -1.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.24304726912e-15 2.066807840832e-14 -5.928053496960001e-15 ] [ 9.93349504896e-15 -9.6130597248e-16 2.114873139456e-14 ] [ 1.073458335936e-14 5.6076181728e-15 3.04413557952e-14 ] [ -1.746372516672e-14 -1.986699009792e-14 -1.92261194496e-14 ] [ -5.6076181728e-15 -5.28718284864e-15 -2.627569658112e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.3509582 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.337970998931805e-18 } }