{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.4718 1.858527 2.216013 ] [ 2.961187 3.9638 1.175243 ] [ 2.62986 4.035161 3.548452 ] [ 4.200659 2.412747 0.4103634 ] [ 4.64949 3.303863 2.581344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4718e-10 1.858527e-10 2.216013e-10 ] [ 2.961187e-10 3.9638e-10 1.175243e-10 ] [ 2.62986e-10 4.035161000000001e-10 3.548452e-10 ] [ 4.200659e-10 2.412747e-10 4.103634e-11 ] [ 4.64949e-10 3.303863e-10 2.581344e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.1930814 -7.5207534 4.0676286 ] [ -7.9589271 11.1862671 -11.2245698 ] [ -5.1035199 4.2028777 10.1222497 ] [ 5.7171681 -6.6335967 -12.7579433 ] [ 11.5383603 -1.2347947 9.7926348 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.718056988191333e-09 -1.204957526828211e-08 6.517059445017435e-09 ] [ -1.275160692627154e-08 1.792237562164421e-08 -1.798374331209773e-08 ] [ -8.176740267567554e-09 6.733752391021676e-09 1.621763181923981e-08 ] [ 9.159913067003558e-09 -1.062819354455603e-08 -2.0440478484752e-08 ] [ 1.848649111502688e-08 -1.978359199827749e-09 1.568953053259249e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -12.937225 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.072771943302928e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5842317 1.9029034 2.2299911 ] [ 2.8530665 4.1838173 1.1246821 ] [ 2.5136644 4.0206434 3.6441819 ] [ 4.2515394 2.2090065 0.3283823 ] [ 4.7104939 3.2577273 2.6041781 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5842317e-10 1.9029034e-10 2.2299911e-10 ] [ 2.8530665e-10 4.183817300000001e-10 1.1246821e-10 ] [ 2.5136644e-10 4.0206434e-10 3.6441819e-10 ] [ 4.251539400000001e-10 2.2090065e-10 3.283823000000001e-11 ] [ 4.7104939e-10 3.2577273e-10 2.6041781e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.92e-05 6.59e-05 3.13e-05 ] [ 3.22e-05 2.17e-05 3.78e-05 ] [ 1.86e-05 -7.32e-05 -3.96e-05 ] [ 7e-07 -5.07e-05 -1.92e-05 ] [ -8.08e-05 3.63e-05 -1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.678355732736e-14 1.0558343931072e-13 5.014812823104e-14 ] [ 5.159008718975999e-14 3.476723267136e-14 6.056227626623999e-14 ] [ 2.980048514688e-14 -1.1727932864256e-13 -6.344619418368e-14 ] [ 1.12152363456e-15 -8.123035467456e-14 -3.076179111936e-14 ] [ -1.2945587096064e-13 5.815901133504e-14 -1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.756113 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.844842912488295e-18 } }