{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -49.4604325 -28.9129361 10.8889018 ] [ 27.950375 -25.5337025 -26.7010785 ] [ 10.2379542 -43.1355009 16.0924552 ] [ 30.6166343 47.5974834 15.5775641 ] [ -24.7229393 -3.2314451 -57.9555426 ] [ 26.0441425 0.0034424 37.9570593 ] [ -20.6657342 53.2126587 4.1406409 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.924434860615651e-08 -4.632363025810433e-08 1.744594389014704e-08 ] [ 4.47814373675928e-08 -4.090950118796251e-08 -4.277984372284554e-08 ] [ 1.640301086406117e-08 -6.911069106847735e-08 2.578295549271139e-08 ] [ 4.905325568304337e-08 7.62595751123961e-08 2.495800901003339e-08 ] [ -3.961051534391752e-08 -5.177345790618718e-09 -9.285501539949845e-08 ] [ 4.172731622228367e-08 5.515332799441919e-12 6.08139130047792e-08 ] [ -3.311015618690699e-08 8.525607769974973e-08 6.634038045108271e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 18.182041 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.913084100862706e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2690468 2.1777717 2.733039 ] [ 6.1597715 2.0710258 1.9324651 ] [ 4.4676666 1.2492363 3.6044543 ] [ 5.2142912 4.382923 1.5477137 ] [ 2.7689233 3.8641489 0.8185638 ] [ 4.6024134 3.1442041 5.2798291 ] [ 3.4147963 4.4591451 3.436918 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2690468e-10 2.1777717e-10 2.733039e-10 ] [ 6.1597715e-10 2.0710258e-10 1.9324651e-10 ] [ 4.467666600000001e-10 1.2492363e-10 3.6044543e-10 ] [ 5.2142912e-10 4.382923e-10 1.5477137e-10 ] [ 2.7689233e-10 3.8641489e-10 8.185637999999999e-11 ] [ 4.6024134e-10 3.1442041e-10 5.2798291e-10 ] [ 3.4147963e-10 4.4591451e-10 3.436918e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.01e-05 3.32e-05 1.72e-05 ] [ -1.17e-05 -2.16e-05 4.14e-05 ] [ 7.33e-05 -4.96e-05 -1.05e-05 ] [ 2.4e-05 3.22e-05 2.22e-05 ] [ -5.82e-05 -5.9e-06 -2.21e-05 ] [ -1.86e-05 -1.41e-05 -1.72e-05 ] [ 1.12e-05 2.56e-05 -3.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.220375007808e-14 5.319226381056e-14 2.755743787776e-14 ] [ -1.874546646336e-14 -3.460701500928e-14 6.633011210111999e-14 ] [ 1.1743954630464e-13 -7.946796039168e-14 -1.68228545184e-14 ] [ 3.84522388992e-14 5.159008718975999e-14 3.556832098176e-14 ] [ -9.324667933055999e-14 -9.45284206272e-15 -3.540810331968e-14 ] [ -2.980048514688e-14 -2.259069035328e-14 -2.755743787776e-14 ] [ 1.794437815296e-14 4.101572149248001e-14 -4.998791056896e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.004002 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.845865081003644e-18 } }