{ "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" [ [ 2.952679 1.285696 1.277172 ] [ 2.70476 3.581398 0.6839532 ] [ 5.281402 1.844449 2.934305 ] [ 3.202591 1.662081 4.066135 ] [ 3.851193 3.569192 2.69225 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.952679e-10 1.285696e-10 1.277172e-10 ] [ 2.70476e-10 3.581398e-10 6.839532e-11 ] [ 5.281402000000001e-10 1.844449e-10 2.934305e-10 ] [ 3.202591e-10 1.662081e-10 4.066135e-10 ] [ 3.851193e-10 3.569192e-10 2.69225e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7801229 -10.1735345 -6.2669719 ] [ -5.01567 7.1837393 -9.1868146 ] [ 13.646885 -4.8545922 0.6787388 ] [ -6.4143101 -5.0937248 11.1329794 ] [ 1.5632179 12.9381122 3.6420684 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.056424534130696e-09 -1.629979912680222e-08 -1.004079586139056e-08 ] [ -8.035989211647935e-09 1.150961915638216e-08 -1.47188995717441e-08 ] [ 2.186472009374621e-08 -7.777914126358038e-09 1.087459436989847e-09 ] [ -1.027685768078131e-08 -8.161046787349157e-09 1.783699931452801e-08 ] [ 2.504551172596072e-09 2.072914088412726e-08 5.835236841834463e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 40.853258 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.545413485111056e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4976495 -0.4607884 0.4032263 ] [ 1.8195849 4.6947198 -0.9870762 ] [ 7.1471857 1.0962895 2.8916454 ] [ 2.2517167 0.9676445 5.655183 ] [ 4.2764881 5.6449505 3.6908367 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4976495e-10 -4.607884e-11 4.032263e-11 ] [ 1.8195849e-10 4.6947198e-10 -9.870762e-11 ] [ 7.1471857e-10 1.0962895e-10 2.8916454e-10 ] [ 2.2517167e-10 9.676445000000001e-11 5.655183e-10 ] [ 4.2764881e-10 5.6449505e-10 3.6908367e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0077206 -0.0610162 -0.0092433 ] [ -0.0363622 0.0431132 -0.0702808 ] [ 0.0161515 -0.0245525 -0.0040558 ] [ -0.007722 -0.0088566 0.0300443 ] [ 0.020212 0.0513122 0.0535357 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.236976481854848e-11 -9.775872913005696e-11 -1.480939915904064e-11 ] [ -5.825866672085376e-11 6.907496108787456e-11 -1.126022546511206e-10 ] [ 2.58775556908512e-11 -3.933744148219201e-11 -6.498107938640641e-12 ] [ -1.23720078658176e-11 -1.418983745977728e-11 4.813627504830144e-11 ] [ 3.23831938596096e-11 8.221120720181377e-11 8.577364691816255e-11 ] ] } "relaxed-potential-energy" { "source-value" 0.009312166 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.491973465420865e-21 } }