{ "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" [ [ 0.0900209 0.6645307 1.771827 ] [ 2.257627 0.9336486 1.950206 ] [ 2.208369 3.070111 3.037465 ] [ 1.738494 0.324563 4.412062 ] [ 4.235476 0.6031948 3.631674 ] [ 3.30736 2.214082 5.333714 ] [ 4.556657 2.857436 3.382282 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.002090000000001e-12 6.645307e-11 1.771827e-10 ] [ 2.257627e-10 9.336486e-11 1.950206e-10 ] [ 2.208369e-10 3.070111e-10 3.037465e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 4.235476000000001e-10 6.031948e-11 3.631674e-10 ] [ 3.30736e-10 2.214082e-10 5.333714e-10 ] [ 4.556657000000001e-10 2.857436e-10 3.382282e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.262154 -0.1629295 -0.0879829 ] [ -0.072376 7.2464651 3.6827911 ] [ 8.519966 -7.7338443 -2.451046 ] [ 0.0 0.0 0.0 ] [ 1.5740459 9.9185186 -1.1429278 ] [ 3.2827817 1.7431656 -5.0730102 ] [ -13.0422637 -11.0113755 5.0721758 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.200170098492032e-10 -2.610418357386336e-10 -1.409641454101843e-10 ] [ -1.159591351070208e-10 1.161011696666313e-08 5.900481799710315e-09 ] [ 1.365049033521089e-08 -1.239098452636734e-08 -3.927008597705357e-09 ] [ 0.0 0.0 0.0 ] [ 2.521899541046095e-09 1.589121861388995e-08 -1.831172200422379e-09 ] [ 5.25959609093008e-09 2.792859170502805e-09 -8.127858339519931e-09 ] [ -2.089600998244851e-08 -1.764216838894991e-08 8.126521483347538e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5504703 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.049501036990476e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.5474735 0.1364974 1.1100813 ] [ 0.8424686 1.8018645 1.4813076 ] [ 2.567985 2.5582332 2.6210396 ] [ 1.738494 0.324563 4.412062 ] [ 5.6978008 0.6979157 3.6139151 ] [ 3.9452363 2.9668644 6.1650439 ] [ 4.1494928 2.1816279 4.1157804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.474734999999999e-11 1.364974e-11 1.1100813e-10 ] [ 8.424686e-11 1.8018645e-10 1.4813076e-10 ] [ 2.567985e-10 2.5582332e-10 2.6210396e-10 ] [ 1.738494e-10 3.24563e-11 4.412062e-10 ] [ 5.6978008e-10 6.979157e-11 3.6139151e-10 ] [ 3.9452363e-10 2.9668644e-10 6.1650439e-10 ] [ 4.1494928e-10 2.1816279e-10 4.1157804e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0313484 0.0638583 -0.0608878 ] [ 0.0801003 -0.0478373 0.1032697 ] [ 0.0978223 -0.0492999 0.0995525 ] [ 0.0 0.0 0.0 ] [ 0.3178198 -0.1851191 -0.0715631 ] [ 0.0398687 0.0945837 0.0834562 ] [ -0.5042627 0.1238143 -0.1538274 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.022567357948672e-11 1.023122753040327e-10 -9.755300965194624e-11 ] [ 1.283348279790662e-10 -7.664380366219584e-11 1.654562989770298e-10 ] [ 1.567286020528838e-10 -7.898714718777791e-11 1.59500688042192e-10 ] [ 0.0 0.0 0.0 ] [ 5.092034531873319e-10 -2.965934940835373e-10 -1.146567257319725e-10 ] [ 6.387669904168896e-11 1.51539792848761e-10 1.33711572500809e-10 ] [ -8.079179086814841e-10 1.983723767807174e-10 -2.464586639184499e-10 ] ] } "relaxed-potential-energy" { "source-value" -12.967466 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.077617085621889e-18 } }