{ "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" [ [ 0.7607129 0.1029019 2.480933 ] [ 0.9158836 2.552597 0.2381701 ] [ 0.8989231 2.268448 2.632769 ] [ 2.109562 0.2713555 0.0459784 ] [ 2.969591 1.985029 0.1686784 ] [ 2.973458 2.362165 2.304699 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.607129000000001e-11 1.029019e-11 2.480933e-10 ] [ 9.158836e-11 2.552597e-10 2.381701e-11 ] [ 8.989231e-11 2.268448e-10 2.632769e-10 ] [ 2.109562e-10 2.713555e-11 4.59784e-12 ] [ 2.969591e-10 1.985029e-10 1.686784e-11 ] [ 2.973458e-10 2.362165e-10 2.304699e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3630371 -2.6629041 -5.1957386 ] [ -12.1318464 2.6893426 -6.5884007 ] [ -4.5864081 2.2966966 1.3487841 ] [ -8.5121306 -12.421198 3.8724943 ] [ 11.372266 9.2290448 -2.1433084 ] [ 11.4950819 0.869018 8.7061694 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.786002795703032e-09 -4.266442692452465e-09 -8.324490912708123e-09 ] [ -1.943736066921665e-08 4.308801839041486e-09 -1.055578157000235e-08 ] [ -7.348235831267749e-09 3.67971359759085e-09 2.160990351526769e-09 ] [ -1.363793664051628e-08 -1.990095303792772e-08 6.204419831641262e-09 ] [ 1.822037871071874e-08 1.478655981087581e-08 -3.433958609644255e-09 ] [ 1.841715147436124e-08 1.392320322654374e-09 1.394882106940436e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.6350023 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.383479880561423e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7695735 -0.129245 2.2904841 ] [ 0.7873892 2.5015396 0.1739174 ] [ 0.9060374 2.2316708 2.6230174 ] [ 1.6505261 0.1137666 0.0791786 ] [ 3.2871069 2.0484197 0.2130638 ] [ 3.2274975 2.7763448 2.4915667 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.695735000000001e-11 -1.29245e-11 2.2904841e-10 ] [ 7.873892e-11 2.5015396e-10 1.739174e-11 ] [ 9.060374e-11 2.2316708e-10 2.6230174e-10 ] [ 1.6505261e-10 1.137666e-11 7.91786e-12 ] [ 3.2871069e-10 2.0484197e-10 2.130638e-11 ] [ 3.2274975e-10 2.7763448e-10 2.4915667e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.9e-06 1.67e-05 4.1e-06 ] [ -7.2e-06 1.1e-06 1e-06 ] [ 1.41e-05 -5.7e-06 -6.2e-06 ] [ 1e-07 -3.8e-06 -6.3e-06 ] [ 2.3e-06 -2.4e-06 -2e-07 ] [ -1.52e-05 -5.9e-06 7.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.45284206272e-15 2.675634956736e-14 6.568924145279999e-15 ] [ -1.153567166976e-14 1.76239428288e-15 1.6021766208e-15 ] [ 2.259069035328e-14 -9.13240673856e-15 -9.93349504896e-15 ] [ 1.6021766208e-16 -6.08827115904e-15 -1.009371271104e-14 ] [ 3.68500622784e-15 -3.84522388992e-15 -3.2043532416e-16 ] [ -2.435308463616e-14 -9.45284206272e-15 1.2016324656e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.521764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.326643077357509e-18 } }