{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1724043 0.1217148 2.355607 ] [ 0.0803944 1.628444 0.6781111 ] [ 0.0194903 2.198586 2.964695 ] [ 2.614645 0.684385 2.185781 ] [ 2.191382 2.601245 1.67848 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.724043e-11 1.217148e-11 2.355607e-10 ] [ 8.03944e-12 1.628444e-10 6.781111e-11 ] [ 1.94903e-12 2.198586e-10 2.964695e-10 ] [ 2.614645e-10 6.84385e-11 2.185781e-10 ] [ 2.191382e-10 2.601245e-10 1.67848e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1193642 -1.4875929 -1.5378316 ] [ 0.0742756 -1.0307659 -0.1212497 ] [ -0.1936397 2.5183588 1.6590813 ] [ 0.6292541 -2.8497458 0.7541912 ] [ -0.6292541 2.8497458 -0.7541912 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.912425306004954e-10 -2.383386565648073e-09 -2.463877836247457e-09 ] [ 1.190026298158925e-10 -1.651469026497871e-09 -1.942634346190138e-10 ] [ -3.102450001987258e-10 4.034855592145944e-09 2.658141270866471e-09 ] [ 1.008176207562545e-09 -4.565796095982993e-09 1.208347508253097e-09 ] [ -1.008176207562545e-09 4.565796095982993e-09 -1.208347508253097e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.6407043 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.063958117510603e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0927287 1.2513637 2.0169406 ] [ 0.1457639 0.7801082 -0.1317984 ] [ 0.0272048 1.9166304 4.1133791 ] [ 2.6382042 0.6051348 2.2068127 ] [ 2.1744144 2.6811377 1.6573401 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.27287e-12 1.2513637e-10 2.0169406e-10 ] [ 1.457639e-11 7.801082e-11 -1.317984e-11 ] [ 2.72048e-12 1.9166304e-10 4.1133791e-10 ] [ 2.6382042e-10 6.051348e-11 2.2068127e-10 ] [ 2.1744144e-10 2.6811377e-10 1.6573401e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.3e-06 0.00036 -0.001886 ] [ 6.7e-06 -0.000233 0.0008977 ] [ -1.3e-06 -0.000127 0.0009882 ] [ 0.0 -0.0 0.0 ] [ -0.0 0.0 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.491536090240001e-15 5.767835834880001e-13 -3.0217051068288e-12 ] [ 1.073458335936e-14 -3.733071526464e-13 1.43827395249216e-12 ] [ -2.08282960704e-15 -2.034764308416e-13 1.58327093667456e-12 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -8.5392994 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.368146585669147e-18 } }