{ "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" [ [ -18.4477562 17.7599455 -0.584725 ] [ 12.5321943 -6.3034498 -11.6568169 ] [ -26.6819939 -31.280714 -9.3184737 ] [ 11.0656384 -11.3692732 3.0423901 ] [ 1.3781665 6.4220792 -22.2549523 ] [ 28.2507486 24.8759865 16.9171051 ] [ -8.0969978 -0.1045743 23.8554727 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.955656368985825e-08 2.845456946678217e-08 -9.3683272459728e-10 ] [ 2.007878871478302e-08 -1.009923989994644e-08 -1.867627951012633e-08 ] [ -4.274926682290821e-08 -5.011722865273125e-08 -1.492984070367967e-08 ] [ 1.772910713870672e-08 -1.821558371652801e-08 4.874446289573375e-09 ] [ 2.208066145869763e-09 1.028930515116597e-08 -3.565636427207919e-08 ] [ 4.526268892701833e-08 3.985572398963642e-08 2.710419028283645e-08 ] [ -1.297282057382903e-08 -1.675464985965254e-10 3.822068063807265e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.793842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.530452440500911e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8283905 5.7732047 2.4233475 ] [ 5.7704697 3.5232852 0.9335779 ] [ 3.2661057 2.1572953 3.3996952 ] [ 5.6670902 2.4985426 3.0506211 ] [ 3.7407239 4.6868414 0.5168119 ] [ 5.5852783 4.397092 4.5971774 ] [ 3.1504817 4.4230489 4.324924 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8283905e-10 5.773204700000001e-10 2.4233475e-10 ] [ 5.770469699999999e-10 3.5232852e-10 9.335779e-11 ] [ 3.2661057e-10 2.1572953e-10 3.3996952e-10 ] [ 5.6670902e-10 2.4985426e-10 3.0506211e-10 ] [ 3.7407239e-10 4.6868414e-10 5.168119e-11 ] [ 5.5852783e-10 4.397092e-10 4.5971774e-10 ] [ 3.1504817e-10 4.4230489e-10 4.324924e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.89e-05 -3.41e-05 2.54e-05 ] [ -4e-07 -2.4e-06 3.13e-05 ] [ -4.8e-05 -1.88e-05 1.62e-05 ] [ 2.12e-05 -4.8e-05 -3.94e-05 ] [ 2.86e-05 3.46e-05 -3.53e-05 ] [ 4.33e-05 6.03e-05 8e-07 ] [ -2.59e-05 8.4e-06 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.028113813312e-14 -5.463422276928e-14 4.069528616832e-14 ] [ -6.408706483200001e-16 -3.84522388992e-15 5.014812823104e-14 ] [ -7.69044777984e-14 -3.012092047104e-14 2.595526125696e-14 ] [ 3.396614436096001e-14 -7.69044777984e-14 -6.312575885952001e-14 ] [ 4.582225135488e-14 5.543531107968001e-14 -5.655683471424e-14 ] [ 6.937424768064e-14 9.661125023424001e-14 1.28174129664e-15 ] [ -4.149637447872e-14 1.345828361472e-14 1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.006959 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.564597547990415e-18 } }