{ "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" [ [ 0.7826629 0.079664 0.3147899 ] [ 0.4004832 1.295186 0.8087518 ] [ 0.7320587 0.6290848 2.788823 ] [ 1.344916 2.662801 0.2560168 ] [ 0.3963272 2.667865 2.000738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.826629000000001e-11 7.9664e-12 3.147899e-11 ] [ 4.004832e-11 1.295186e-10 8.087518e-11 ] [ 7.320586999999999e-11 6.290848000000001e-11 2.788823e-10 ] [ 1.344916e-10 2.662801e-10 2.560168e-11 ] [ 3.963272e-11 2.667865e-10 2.000738e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 25.176213 -78.138012 -33.2624013 ] [ -40.8170937 42.5250236 19.6928143 ] [ 1.3287147 -5.8263164 9.578735 ] [ 20.1684842 21.1086444 -19.3770907 ] [ -5.8563182 20.3306605 23.3679427 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.033673986888103e-08 -1.251908960221898e-07 -5.329224171452753e-08 ] [ -6.539619325514297e-08 6.813259861088825e-08 3.155136666921592e-08 ] [ 2.128835628053286e-09 -9.33478792146362e-09 1.534682527383869e-08 ] [ 3.231347386221419e-08 3.381977655446084e-08 -3.104552169866111e-08 ] [ -9.382856104005539e-09 3.257330893852204e-08 3.743957147013403e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 32.412102 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.192991205538492e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0554493 -1.0287641 -0.5079922 ] [ 0.2987525 0.8170277 0.6270293 ] [ 0.2595837 1.1200699 2.9874832 ] [ 1.0409374 3.0616054 0.3510721 ] [ 1.0017252 3.3646618 2.7115271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0554493e-10 -1.0287641e-10 -5.079922e-11 ] [ 2.987525e-11 8.170277000000001e-11 6.270293e-11 ] [ 2.595837e-11 1.1200699e-10 2.9874832e-10 ] [ 1.0409374e-10 3.0616054e-10 3.510721e-11 ] [ 1.0017252e-10 3.3646618e-10 2.7115271e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.17e-05 -5.22e-05 -5.56e-05 ] [ -6.68e-05 2.7e-05 3.89e-05 ] [ -7.3e-06 2.39e-05 -7.6e-06 ] [ -2.3e-06 -1.61e-05 1.85e-05 ] [ 2.46e-05 1.75e-05 5.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.283253129536002e-14 -8.363361960576001e-14 -8.908102011648e-14 ] [ -1.0702539826944e-13 4.32587687616e-14 6.232467054911999e-14 ] [ -1.169588933184e-14 3.829202123712e-14 -1.217654231808e-14 ] [ -3.68500622784e-15 -2.579504359488e-14 2.96402674848e-14 ] [ 3.941354487168e-14 2.8038090864e-14 9.45284206272e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.303472 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.811015857226742e-18 } }