{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3565865 -0.8227042 0.3019898 ] [ 0.1614476 -3.1335899 5.1554876 ] [ -0.1873704 4.4252177 -5.6452697 ] [ -0.6955303 1.1151789 0.7223705 ] [ -0.4139714 0.3614415 -2.276219 ] [ -1.0478938 -2.1327606 1.2536378 ] [ 0.8267318 0.1872167 0.488003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.173491174392899e-09 -1.318117435073968e-09 4.838409972800679e-10 ] [ 2.586675702042701e-10 -5.02056447695501e-09 8.260001701544301e-09 ] [ -3.002004743099443e-10 7.089980340890349e-09 -9.04471913145063e-09 ] [ -1.11436238571801e-09 1.786713561589461e-09 1.157365126655607e-09 ] [ -6.632552987598451e-10 5.790931210868832e-10 -3.646904865620756e-09 ] [ -1.678910947441271e-09 -3.417059171083381e-09 2.008549174111146e-09 ] [ 1.324570361631901e-09 2.999542197633274e-10 7.818669974802625e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -25.900828 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.149770108096202e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.572783 1.6472045 2.3356002 ] [ 2.7438584 2.7989816 4.3446245 ] [ 2.5779581 4.0403195 2.2261569 ] [ 4.5656063 2.6756073 1.7330282 ] [ 5.0646605 3.1724266 4.0017778 ] [ 4.8431601 4.8994306 2.3533649 ] [ 3.5197296 4.9890518 4.2506036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.572783e-10 1.6472045e-10 2.3356002e-10 ] [ 2.7438584e-10 2.7989816e-10 4.3446245e-10 ] [ 2.5779581e-10 4.0403195e-10 2.2261569e-10 ] [ 4.5656063e-10 2.6756073e-10 1.7330282e-10 ] [ 5.0646605e-10 3.1724266e-10 4.0017778e-10 ] [ 4.8431601e-10 4.899430599999999e-10 2.3533649e-10 ] [ 3.5197296e-10 4.9890518e-10 4.2506036e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.73e-05 2.3e-06 -1.15e-05 ] [ 1.94e-05 -3.59e-05 -4.1e-06 ] [ 2.81e-05 2.34e-05 2.19e-05 ] [ -4.07e-05 1.2e-06 1.84e-05 ] [ -3.21e-05 2.4e-05 -1.32e-05 ] [ 2.18e-05 -3.92e-05 -2.31e-05 ] [ -2.38e-05 2.42e-05 1.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.373942174784e-14 3.68500622784e-15 -1.84250311392e-14 ] [ 3.108222644352e-14 -5.751814068672e-14 -6.568924145279999e-15 ] [ 4.502116304448e-14 3.749093292672001e-14 3.508766799552e-14 ] [ -6.520858846656e-14 1.92261194496e-15 2.948004982272e-14 ] [ -5.142986952768e-14 3.84522388992e-14 -2.114873139456e-14 ] [ 3.492745033344e-14 -6.280532353535999e-14 -3.701027994048e-14 ] [ -3.813180357504e-14 3.877267422336e-14 1.858524880128e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.380528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.867497168915979e-18 } }