{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.19695 0.77855 2.710152 ] [ 1.11009 0.0001542 2.008775 ] [ 0.4144899 1.96716 0.2031325 ] [ 1.283205 2.99395 1.505794 ] [ 2.698669 0.3602939 2.825256 ] [ 2.163799 2.696333 2.742799 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9695e-11 7.7855e-11 2.710152e-10 ] [ 1.11009e-10 1.542e-14 2.008775e-10 ] [ 4.144899e-11 1.96716e-10 2.031325e-11 ] [ 1.283205e-10 2.99395e-10 1.505794e-10 ] [ 2.698669e-10 3.602939e-11 2.825256e-10 ] [ 2.163799e-10 2.696333e-10 2.742799e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 98.9603417 -111.9804176 -80.4531699 ] [ -125.2061729 81.4990942 89.6675683 ] [ -11.4866397 2.1489202 -25.5900043 ] [ 32.7757131 12.7751937 38.8310248 ] [ 23.4158928 -15.2180408 9.173672 ] [ -18.459135 30.7752504 -31.6290909 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.585519458581193e-07 -1.794124070661408e-07 -1.289001878830303e-07 ] [ -2.006024030002225e-07 1.305759433436169e-07 1.436632815742472e-07 ] [ -1.840362557889313e-08 3.44294970440486e-09 -4.099970661563147e-08 ] [ 5.251248125886829e-08 2.046811667233145e-08 6.2214160096265e-08 ] [ 3.751639599931906e-08 -2.438198918414053e-08 1.469784280528758e-08 ] [ -2.957479453719101e-08 4.930738669014585e-08 -5.067538997713803e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 293.02535 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.694783650717373e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.6056887 0.3339019 2.3761897 ] [ 0.6056887 0.3339019 2.3761897 ] [ 0.3726721 1.9749369 0.1099891 ] [ 1.4039552 3.0399611 1.6492134 ] [ 2.7840397 0.3049887 2.8586801 ] [ 2.0951585 2.8087506 2.6256466 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.056887e-11 3.339019e-11 2.3761897e-10 ] [ 6.056887e-11 3.339019e-11 2.3761897e-10 ] [ 3.726721e-11 1.9749369e-10 1.099891e-11 ] [ 1.4039552e-10 3.0399611e-10 1.6492134e-10 ] [ 2.7840397e-10 3.049887e-11 2.8586801e-10 ] [ 2.0951585e-10 2.8087506e-10 2.6256466e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -16.5213705 -2.3151829064726569e+117 3.9324236 ] [ -16.5213705 2.3151829064726569e+117 3.9324236 ] [ -12.2556327 1.4016989 -27.0051558 ] [ 364.961195 -97.215457 509.120845 ] [ 30.2681813 -13.6262438 9.9747175 ] [ -349.9310025 139.785631 -499.9552539 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.647015355867481e-08 -3.709331925626284e+108 6.300437155002171e-09 ] [ -2.647015355867481e-08 3.709331925626284e+108 6.300437155002171e-09 ] [ -1.963568818505198e-08 2.245769206981077e-09 -4.326702926382153e-08 ] [ 5.847322941282298e-07 -1.557563323857877e-07 8.157015150209405e-07 ] [ 4.849497243299575e-08 -2.183164924568095e-08 1.598125917758463e-08 ] [ -5.606512710986063e-07 2.239612699119757e-07 -8.01016619244708e-07 ] ] } "relaxed-potential-energy" { "source-value" -2.1419745e+100 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.43182146624977e+81 } }