{ "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" [ [ 2.290406 1.365127 2.478138 ] [ 1.892594 2.812526 4.141756 ] [ 2.634032 3.625436 1.937955 ] [ 4.696761 2.293416 2.137678 ] [ 4.185297 2.165547 4.431715 ] [ 4.453239 5.273552 2.545611 ] [ 3.870361 4.380343 4.592008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.290406e-10 1.365127e-10 2.478138e-10 ] [ 1.892594e-10 2.812526e-10 4.141756e-10 ] [ 2.634032e-10 3.625436e-10 1.937955e-10 ] [ 4.696761000000001e-10 2.293416e-10 2.137678e-10 ] [ 4.185297000000001e-10 2.165547e-10 4.431715e-10 ] [ 4.453239e-10 5.273551999999999e-10 2.545611e-10 ] [ 3.870361e-10 4.380343e-10 4.592008e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.788482 -2.4760755 -1.0988706 ] [ -0.8546036 2.3520196 2.2933548 ] [ 0.5045229 1.8961416 -1.4955273 ] [ -0.5883377 -0.4023805 -0.5869834 ] [ 0.2962034 -2.2363622 -0.1571061 ] [ -0.8319554 -0.8307672 -0.2585486 ] [ -0.3143116 1.6974242 1.3036812 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.865464047121625e-09 -3.967110277435671e-09 -1.760584784604468e-09 ] [ -1.369225907971515e-09 3.768350814783368e-09 3.67435944375946e-09 ] [ 8.083347950382163e-10 3.037953741246305e-09 -2.396098875828148e-09 ] [ -9.42620908075244e-10 -6.446846297658144e-10 -9.40451080277695e-10 ] [ 4.745701624814707e-10 -3.583047232480853e-09 -2.517117204050669e-10 ] [ -1.332939491428312e-09 -1.331035785167478e-09 -4.142405222605709e-10 ] [ -5.035826971662413e-10 2.719573368820143e-09 2.088727539616489e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.505022 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.285266685738966e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5935289 1.3402114 2.5899752 ] [ 1.8873879 3.1418542 4.1331606 ] [ 2.4484211 3.6646522 1.7522021 ] [ 4.6957565 2.5207077 2.0305027 ] [ 4.1347675 1.9979817 4.4114916 ] [ 4.3945489 4.8704162 2.5571332 ] [ 3.8682792 4.3801235 4.7903957 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5935289e-10 1.3402114e-10 2.5899752e-10 ] [ 1.8873879e-10 3.1418542e-10 4.1331606e-10 ] [ 2.4484211e-10 3.6646522e-10 1.7522021e-10 ] [ 4.6957565e-10 2.5207077e-10 2.0305027e-10 ] [ 4.1347675e-10 1.9979817e-10 4.4114916e-10 ] [ 4.3945489e-10 4.870416200000001e-10 2.5571332e-10 ] [ 3.8682792e-10 4.3801235e-10 4.790395700000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.58e-05 1.2e-06 4.94e-05 ] [ 1.39e-05 6e-07 1.2e-05 ] [ 1.96e-05 4.9e-06 5.7e-06 ] [ 1.62e-05 3.52e-05 5.15e-05 ] [ -6.21e-05 -3.99e-05 -4.03e-05 ] [ -1.47e-05 4.3e-05 -5.48e-05 ] [ 1.13e-05 -4.49e-05 -2.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.531439060864e-14 1.92261194496e-15 7.914752506752001e-14 ] [ 2.227025502912e-14 9.6130597248e-16 1.92261194496e-14 ] [ 3.140266176767999e-14 7.850665441919999e-15 9.13240673856e-15 ] [ 2.595526125696e-14 5.639661705216e-14 8.25120959712e-14 ] [ -9.949516815168001e-14 -6.392684716992e-14 -6.456771781824e-14 ] [ -2.355199632576e-14 6.889359469439999e-14 -8.779927881984e-14 ] [ 1.810459581504e-14 -7.193773027392e-14 -3.781136825088e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.563325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.615043180251216e-18 } }