{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0531647 -0.0760749 -0.4433385 ] [ -0.0067967 -0.2085458 0.1699585 ] [ -2.1924747 0.7540413 1.8782738 ] [ 0.0067967 0.2085458 -0.1699585 ] [ -0.4874334 -1.7749863 -4.2973345 ] [ 3.1355203 -3.4328312 4.2673561 ] [ -0.4024475 4.529851 -1.4049569 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.51792400936198e-11 -1.218854272138866e-10 -7.10306585652609e-10 ] [ -1.08895139283078e-11 -3.341272078788372e-10 2.72303537449689e-10 ] [ -3.51273173497616e-09 1.208107351930984e-09 3.009326394614389e-09 ] [ 1.08895139283078e-11 3.341272078788372e-10 -2.72303537449689e-10 ] [ -7.809544041111755e-10 -2.843841575530114e-09 -6.885088924382072e-09 ] [ 5.02365736009267e-09 -5.50000193710618e-09 6.837058232377366e-09 ] [ -6.44791980911715e-10 7.257621427701533e-09 -2.250989116957074e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.47359 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.678054117209606e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3084716 1.1369262 2.3318338 ] [ 1.1375433 1.5063965 4.7023796 ] [ 2.4616063 3.8455373 5.4998519 ] [ 1.1953587 3.2803585 3.2566544 ] [ 3.9465514 2.7519325 2.1476016 ] [ 4.2871328 2.812385 4.5292291 ] [ 3.7545689 4.9198409 3.3777706 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3084716e-10 1.1369262e-10 2.3318338e-10 ] [ 1.1375433e-10 1.5063965e-10 4.7023796e-10 ] [ 2.4616063e-10 3.845537300000001e-10 5.499851900000001e-10 ] [ 1.1953587e-10 3.2803585e-10 3.2566544e-10 ] [ 3.9465514e-10 2.7519325e-10 2.1476016e-10 ] [ 4.2871328e-10 2.812385e-10 4.529229100000001e-10 ] [ 3.7545689e-10 4.9198409e-10 3.3777706e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.221206 -0.2288664 -0.3973724 ] [ -0.0017488 -0.0536596 0.0437309 ] [ -0.5651032 0.0034454 0.7312411 ] [ 0.0017488 0.0536596 -0.0437309 ] [ -0.0913682 -0.1471273 -0.4953976 ] [ 0.6786956 -0.1626279 0.7360553 ] [ 0.1989819 0.5351763 -0.5745264 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.54411084500604e-10 -3.666843983876976e-10 -6.366607742765015e-10 ] [ -2.8018864975392e-12 -8.597215730978639e-11 7.00646261637906e-11 ] [ -9.053951428386287e-10 5.520139374783599e-12 1.171577404240457e-09 ] [ 2.8018864975392e-12 8.597215730978639e-11 -7.00646261637906e-11 ] [ -1.463879951306388e-10 -2.357239222835082e-10 -7.937144592596784e-10 ] [ 1.08739023191861e-09 -2.605586214164886e-10 1.17929060299186e-09 ] [ 3.188041507689246e-10 8.574469629305742e-10 -9.204927736961375e-10 ] ] } "relaxed-potential-energy" { "source-value" -11.673777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.870345273992662e-18 } }