{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.911235 5.1700114 1.0710014 ] [ 0.2637012 -0.2977979 0.3680121 ] [ 0.2864231 -3.3984581 0.5928927 ] [ 0.6671379 -2.1948402 3.029299 ] [ 1.1367805 2.8423001 -6.273116 ] [ 4.3864859 1.1176745 -2.1668321 ] [ -0.8292936 -3.2388899 3.3787429 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.470842595082989e-09 8.283271462593626e-09 1.715933418061288e-09 ] [ 4.224959009977608e-10 -4.771248370342686e-10 5.896203876492713e-10 ] [ 4.589003982578453e-10 -5.444930159448035e-09 9.499188304091718e-10 ] [ 1.068872755035828e-09 -3.516521683803886e-09 4.853472075199566e-09 ] [ 1.821323155086837e-09 4.553866807035863e-09 -1.005063987757154e-08 ] [ 7.02792521435046e-09 1.790711968317633e-09 -3.471647760421151e-09 ] [ -1.328674828645742e-09 -5.189273717878596e-09 5.413342926673398e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.135288 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.065811131846059e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7122513 5.3545447 2.9265244 ] [ 5.7050003 3.0723697 1.3978184 ] [ 3.3601372 2.9478652 2.3904668 ] [ 5.4167581 2.4564677 3.8145737 ] [ 4.0335232 4.8634751 0.8489695 ] [ 5.2137284 4.8976561 3.1084342 ] [ 3.5671414 3.8669314 4.759368 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7122513e-10 5.3545447e-10 2.9265244e-10 ] [ 5.7050003e-10 3.0723697e-10 1.3978184e-10 ] [ 3.3601372e-10 2.9478652e-10 2.3904668e-10 ] [ 5.4167581e-10 2.4564677e-10 3.8145737e-10 ] [ 4.033523200000001e-10 4.8634751e-10 8.489695000000001e-11 ] [ 5.2137284e-10 4.8976561e-10 3.1084342e-10 ] [ 3.5671414e-10 3.8669314e-10 4.759368e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.6e-06 -1.3e-06 2.6e-06 ] [ 2.4e-06 -7.2e-06 -1.24e-05 ] [ -0.0 -3.7e-05 -3.5e-06 ] [ -9.1e-06 2.55e-05 -9.6e-06 ] [ -6.7e-06 1.19e-05 1.08e-05 ] [ 2.3e-05 -5e-06 1.05e-05 ] [ -1.62e-05 1.31e-05 1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.05743657844e-14 -2.0828296242e-15 4.165659248399999e-15 ] [ 3.845223921599999e-15 -1.15356717648e-14 -1.98669902616e-14 ] [ 0.0 -5.9280535458e-14 -5.607618218999999e-15 ] [ -1.45798073694e-14 4.0855504167e-14 -1.53808956864e-14 ] [ -1.07345834478e-14 1.90659019446e-14 1.73035076472e-14 ] [ 3.6850062582e-14 -8.010883169999999e-15 1.6822854657e-14 ] [ -2.59552614708e-14 2.09885139054e-14 2.5634826144e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.11232 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.542784242753088e-18 } }