{ "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" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.508406 2.5165424 2.2914506 ] [ 3.8070757 -1.566879 -2.8461186 ] [ 0.0482187 -1.5068862 -0.3868127 ] [ -1.923414 -2.8836392 2.1193086 ] [ 2.3016159 -0.4405335 2.5292597 ] [ 1.4206866 1.8850325 -0.5314442 ] [ -2.145777 1.996363 -3.1756433 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.621086069474445e-09 4.031945398531922e-09 3.671308579038133e-09 ] [ 6.099607680155795e-09 -2.510416901422483e-09 -4.559984680944027e-09 ] [ 7.725487382536898e-11 -2.414297839846153e-09 -6.197422645685241e-10 ] [ -3.081648942919411e-09 -4.620099309062416e-09 3.395506691180379e-09 ] [ 3.68759518504155e-09 -7.058124743791968e-10 4.052320759271622e-09 ] [ 2.276190856003841e-09 3.020155000948176e-09 -8.514674724997594e-10 ] [ -3.437913742850361e-09 3.198526125230151e-09 -5.087941451260161e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.999667 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.563429240798528e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.027212 3.6983036 3.0985156 ] [ 5.9535372 2.38349 1.5565619 ] [ 3.7093665 1.4980568 1.0535051 ] [ 3.1693231 1.5766611 3.456741 ] [ 5.5030749 2.0881354 3.9322669 ] [ 5.1763946 4.610897 0.9492603 ] [ 2.8804967 3.8070765 0.8194363 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.027212e-10 3.6983036e-10 3.0985156e-10 ] [ 5.9535372e-10 2.38349e-10 1.5565619e-10 ] [ 3.7093665e-10 1.4980568e-10 1.0535051e-10 ] [ 3.1693231e-10 1.5766611e-10 3.456741e-10 ] [ 5.5030749e-10 2.0881354e-10 3.9322669e-10 ] [ 5.176394600000001e-10 4.610897e-10 9.492603e-11 ] [ 2.8804967e-10 3.8070765e-10 8.194363e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.3e-06 2.7e-05 6.9e-06 ] [ 5.8e-06 -9.9e-06 1.48e-05 ] [ 4e-07 -1.43e-05 -5.7e-06 ] [ 1.52e-05 -6.6e-06 -3e-07 ] [ -2.04e-05 1.8e-06 -2.58e-05 ] [ -7.3e-06 2.12e-05 6.9e-06 ] [ 4.9e-06 -1.91e-05 3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.08282960704e-15 4.32587687616e-14 1.105501868352e-14 ] [ 9.292624400640001e-15 -1.586154854592e-14 2.371221398784e-14 ] [ 6.408706483200001e-16 -2.291112567744e-14 -9.13240673856e-15 ] [ 2.435308463616e-14 -1.057436569728e-14 -4.8065298624e-16 ] [ -3.268440306432e-14 2.88391791744e-15 -4.133615681664e-14 ] [ -1.169588933184e-14 3.396614436096001e-14 1.105501868352e-14 ] [ 7.850665441919999e-15 -3.060157345728e-14 5.126965186560001e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.146068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.387973577144701e-18 } }