{ "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" [ [ 2.371302 1.822431 2.77878 ] [ 1.953583 1.464236 4.887458 ] [ 2.036561 3.993513 4.302634 ] [ 4.621904 2.219697 2.273588 ] [ 4.551448 2.283743 4.505208 ] [ 4.054448 4.223119 3.103646 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.371302e-10 1.822431e-10 2.77878e-10 ] [ 1.953583e-10 1.464236e-10 4.887458e-10 ] [ 2.036561e-10 3.993513e-10 4.302634e-10 ] [ 4.621904e-10 2.219697e-10 2.273588e-10 ] [ 4.551448e-10 2.283743e-10 4.505208e-10 ] [ 4.054448e-10 4.223119e-10 3.103646e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.1813472 3.8127297 -0.3290657 ] [ 1.7136831 1.6871665 2.177325 ] [ 1.7773641 -4.2159792 -0.3424895 ] [ 1.3681884 -1.7888431 -3.0295751 ] [ -5.6208432 0.516702 1.0343881 ] [ -1.4197397 -0.0117759 0.4894172 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.494903485687542e-09 6.108666386769798e-09 -5.272213712471866e-10 ] [ 2.745622998280069e-09 2.703138721696963e-09 3.48845921088336e-09 ] [ 2.847651207669234e-09 -6.754743308019087e-09 -5.487286697694816e-10 ] [ 2.192079467329759e-09 -2.866042593099396e-09 -4.853914396177823e-09 ] [ -9.00558356422266e-09 8.278478643206016e-10 1.657272430653732e-09 ] [ -2.274673754961606e-09 -1.886707166887872e-11 7.841327956573979e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.29295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.251289005706336e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4806578 2.1839231 2.7166198 ] [ 2.0113671 1.4198169 4.9594328 ] [ 2.1746379 3.7977918 4.5332265 ] [ 4.8432644 2.0383492 2.2357791 ] [ 4.1804678 2.3924691 4.5313396 ] [ 3.898851 4.1743889 2.8749161 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4806578e-10 2.1839231e-10 2.7166198e-10 ] [ 2.0113671e-10 1.4198169e-10 4.9594328e-10 ] [ 2.1746379e-10 3.7977918e-10 4.5332265e-10 ] [ 4.8432644e-10 2.0383492e-10 2.2357791e-10 ] [ 4.1804678e-10 2.3924691e-10 4.5313396e-10 ] [ 3.898851e-10 4.1743889e-10 2.8749161e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.37e-05 1.63e-05 -6.35e-05 ] [ 1.9e-05 -3.56e-05 3.7e-06 ] [ -1.58e-05 9.2e-06 2.5e-05 ] [ 2.3e-06 -3.32e-05 -1.4e-05 ] [ 1.64e-05 3.39e-05 6.79e-05 ] [ 2.18e-05 9.3e-06 -1.9e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.001511832895999e-14 2.611547891904e-14 -1.017382154208e-13 ] [ 3.04413557952e-14 -5.703748770048e-14 5.928053496960001e-15 ] [ -2.531439060864e-14 1.474002491136e-14 4.005441552e-14 ] [ 3.68500622784e-15 -5.319226381056e-14 -2.24304726912e-14 ] [ 2.627569658112e-14 5.431378744512e-14 1.0878779255232e-13 ] [ 3.492745033344e-14 1.490024257344e-14 -3.04413557952e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.902638 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.829624777904567e-18 } }