{ "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" [ [ 2.924097 1.394529 2.047948 ] [ 0.8517503 3.0229 2.150903 ] [ 3.084941 2.892354 0.5199401 ] [ 2.119748 2.11188 4.047438 ] [ 4.365389 1.647318 4.564937 ] [ 3.247696 3.944508 2.731386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.924097e-10 1.394529e-10 2.047948e-10 ] [ 8.517503e-11 3.0229e-10 2.150903e-10 ] [ 3.084941000000001e-10 2.892354e-10 5.199401e-11 ] [ 2.119748e-10 2.11188e-10 4.047438e-10 ] [ 4.365389e-10 1.647318e-10 4.564937e-10 ] [ 3.247696e-10 3.944508e-10 2.731386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4389296 -6.0305099 0.1154112 ] [ -1.4830825 0.9743121 -1.2325149 ] [ -0.1666367 2.4754344 -3.5418983 ] [ -0.6568863 -0.1056147 3.7329571 ] [ 0.0100295 -0.2501672 0.1058556 ] [ 0.8576464 2.9365453 0.8201894 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.305419383090966e-09 -9.661942052885675e-09 1.849091279419008e-10 ] [ -2.376160127794305e-09 1.561020080843471e-09 -1.974706573836846e-09 ] [ -2.669814271068678e-10 3.96608315467981e-09 -5.674746696264322e-09 ] [ -1.052447881054714e-09 -1.692134045469198e-10 5.980856641344401e-09 ] [ 1.6069030550703e-11 -4.008120424332047e-10 1.695993688980504e-10 ] [ 1.374101022314218e-09 4.70486426434252e-09 1.31408829213448e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.263071 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.644325254928301e-18 } "relaxed-configuration-positions" { "source-value" [ [ 4.0714897 0.8590405 1.8494176 ] [ 0.8047741 3.0455173 2.2818106 ] [ 2.898296 2.6330692 0.9003927 ] [ 2.2721131 2.8837505 4.351106 ] [ 3.6575933 1.024738 4.1302992 ] [ 2.8893551 4.5673735 2.5495261 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.0714897e-10 8.590405000000001e-11 1.8494176e-10 ] [ 8.047741000000001e-11 3.045517300000001e-10 2.2818106e-10 ] [ 2.898296e-10 2.6330692e-10 9.003927000000001e-11 ] [ 2.2721131e-10 2.8837505e-10 4.351106e-10 ] [ 3.6575933e-10 1.024738e-10 4.1302992e-10 ] [ 2.8893551e-10 4.567373500000001e-10 2.5495261e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.35e-05 -1.09e-05 1.18e-05 ] [ -1.68e-05 2.08e-05 -2.19e-05 ] [ -3.09e-05 8.5e-06 -1.69e-05 ] [ 2.13e-05 -3.43e-05 4e-06 ] [ -6e-06 2.42e-05 1.44e-05 ] [ 8.9e-06 -8.2e-06 8.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.765115089899999e-14 -1.74637253106e-14 1.89056842812e-14 ] [ -2.691656745119999e-14 3.332527398719999e-14 -3.50876682846e-14 ] [ -4.950725799059999e-14 1.3618501389e-14 -2.70767851146e-14 ] [ 3.41263623042e-14 -5.49546585462e-14 6.408706535999999e-15 ] [ -9.613059803999999e-15 3.877267454279999e-14 2.30713435296e-14 ] [ 1.42593720426e-14 -1.31378483988e-14 1.37787190524e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.432427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.312329731131072e-18 } }