{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.2785267 7.563377 1.4230283 ] [ 4.8437713 1.4920764 -4.5776206 ] [ -0.1774088 -0.2486419 0.2781591 ] [ 0.0 0.0 0.0 ] [ -2.2937917 3.9285625 1.0297263 ] [ -8.9795547 -11.3869125 5.1372344 ] [ 0.3284572 -1.3484614 -3.2905275 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.005930869180857e-08 1.211786580369644e-08 2.279942672996769e-09 ] [ 7.760577133362024e-09 2.390569924527429e-09 -7.334156704212469e-09 ] [ -2.84240231684183e-10 -3.983682391312915e-10 4.456600068827693e-10 ] [ 0.0 0.0 0.0 ] [ -3.675059434725087e-09 6.2942509908516e-09 1.649803403682887e-09 ] [ -1.438683260553476e-08 -1.824384499059528e-08 8.230756851249515e-09 ] [ 5.262464467734298e-10 -2.160473329131237e-09 -5.272006230599473e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.4932796 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.360773400903758e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.3242979 0.8391325 -0.8662261 ] [ 1.8845945 2.0632452 2.6561097 ] [ 1.4866265 1.6655394 4.7827294 ] [ 1.955684 1.6722695 6.9282477 ] [ 5.1599196 1.4403179 2.6442559 ] [ 3.4794762 1.558856 1.2180181 ] [ 5.4417442 1.113982 4.8064062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.3242979e-10 8.391325e-11 -8.662261e-11 ] [ 1.8845945e-10 2.0632452e-10 2.6561097e-10 ] [ 1.4866265e-10 1.6655394e-10 4.7827294e-10 ] [ 1.955684e-10 1.6722695e-10 6.9282477e-10 ] [ 5.1599196e-10 1.4403179e-10 2.6442559e-10 ] [ 3.4794762e-10 1.558856e-10 1.2180181e-10 ] [ 5.441744199999999e-10 1.113982e-10 4.8064062e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0961919 0.4263925 0.9855995 ] [ -0.2735531 0.0105801 -0.0501085 ] [ -0.1724287 0.0900096 0.1313535 ] [ -0.0111431 -0.0187377 0.1360891 ] [ 0.2434608 -0.1631086 0.7140608 ] [ 0.0152025 -0.4504908 -1.2974427 ] [ 0.1022697 0.1053549 -0.6195518 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.541164132903315e-10 6.831560947844641e-10 1.579104476372169e-09 ] [ -4.382803813673644e-10 1.695118886572608e-11 -8.02826672033568e-11 ] [ -2.76261231894937e-10 1.442112767675597e-10 2.104515067602528e-10 ] [ -1.785321430323648e-11 -3.002110486756416e-11 2.180387743657133e-10 ] [ 3.900672018412647e-10 -2.613287855714189e-10 1.144051519589745e-09 ] [ 2.4357090077712e-11 -7.217658276454886e-10 -2.078732360767628e-09 ] [ 1.638541223562298e-10 1.687971576667219e-10 -9.926314093345574e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.45116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.475548731624013e-18 } }