{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5253459 -2.5916412 -2.671915 ] [ -2.8400503 -2.0899443 0.8533709 ] [ 1.1606149 1.2771317 0.8961614 ] [ -1.6095579 3.1119109 0.482845 ] [ -0.5545731 -0.6396729 -0.5296202 ] [ 2.3950297 0.3565664 -0.5425205 ] [ 0.9231908 0.5756494 1.5116785 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.416969188131348e-10 -4.152266940142057e-09 -4.280879745764831e-09 ] [ -4.550262192556027e-09 -3.348459896234221e-09 1.367250904851055e-09 ] [ 1.85951005853213e-09 2.046190551422559e-09 1.435808843543397e-09 ] [ -2.578796037203944e-09 4.985830889992686e-09 7.736029704701761e-10 ] [ -8.885240553445806e-10 -1.024868965339336e-09 -8.485451023434202e-10 ] [ 3.837260591461638e-09 5.712823498428212e-10 -8.692136614047264e-10 ] [ 1.479114716297649e-09 9.222920104575475e-10 2.421975950866012e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.798828 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.531251285764042e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8235374 0.998578 2.1044227 ] [ 1.188436 0.7269077 4.3089859 ] [ 2.1048212 2.7730777 4.8663758 ] [ 2.5302164 3.1034232 2.6454706 ] [ 4.0365066 0.335291 2.1125336 ] [ 4.6985998 2.4164274 2.8660226 ] [ 4.3453675 2.2837376 5.1452449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8235374e-10 9.98578e-11 2.1044227e-10 ] [ 1.188436e-10 7.269077e-11 4.3089859e-10 ] [ 2.1048212e-10 2.7730777e-10 4.866375800000001e-10 ] [ 2.5302164e-10 3.1034232e-10 2.6454706e-10 ] [ 4.0365066e-10 3.35291e-11 2.1125336e-10 ] [ 4.698599800000001e-10 2.4164274e-10 2.8660226e-10 ] [ 4.3453675e-10 2.2837376e-10 5.1452449e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.8e-06 8.9e-06 1.76e-05 ] [ 1.82e-05 1.14e-05 -1.38e-05 ] [ 2.47e-05 -1.9e-05 -1.83e-05 ] [ 3.8e-06 -9.7e-06 2.35e-05 ] [ -1.7e-06 3.7e-06 3.7e-06 ] [ -4e-07 -8.2e-06 -1.19e-05 ] [ -3.87e-05 1.29e-05 -8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.292624400640001e-15 1.425937192512e-14 2.819830852608e-14 ] [ 2.915961449856e-14 1.826481347712e-14 -2.211003736704e-14 ] [ 3.957376253376001e-14 -3.04413557952e-14 -2.931983216064e-14 ] [ 6.08827115904e-15 -1.554111322176e-14 3.76511505888e-14 ] [ -2.72370025536e-15 5.928053496960001e-15 5.928053496960001e-15 ] [ -6.408706483200001e-16 -1.313784829056e-14 -1.906590178752e-14 ] [ -6.200423522496e-14 2.066807840832e-14 -1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }