{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.6218923 -0.8348243 -0.303943 ] [ -2.6952367 0.4150564 -0.2686518 ] [ 0.1926496 -0.991321 -0.1550367 ] [ -0.7933311 1.5945471 -1.6591541 ] [ 3.9178104 -0.1834582 2.3867856 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ -9.963813037155398e-10 -1.337535975935725e-09 -4.869703686558145e-10 ] [ -4.318245228262144e-09 6.649936603934131e-10 -4.304276330958374e-10 ] [ 3.086586851264717e-10 -1.588271329908077e-09 -2.483961761059833e-10 ] [ -1.271056540973547e-09 2.554746084384439e-09 -2.658257909324465e-09 ] [ 6.277024227607096e-09 -2.939324389340505e-10 3.8240520871821e-09 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -5.4665586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.75839238515318e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.176849 1.681974 3.211274 ] [ 2.5055232 5.8037861 2.1664323 ] [ 3.1680602 3.7444577 1.7638824 ] [ 4.2606598 1.8417881 1.595654 ] [ 4.8785473 3.7905818 3.6030387 ] [ 6.0078167 4.3889526 1.8123031 ] [ 3.3758468 3.4539507 5.1753885 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.5055232e-10 5.8037861e-10 2.1664323e-10 ] [ 3.1680602e-10 3.7444577e-10 1.7638824e-10 ] [ 4.2606598e-10 1.8417881e-10 1.595654e-10 ] [ 4.8785473e-10 3.7905818e-10 3.6030387e-10 ] [ 6.007816700000001e-10 4.3889526e-10 1.8123031e-10 ] [ 3.375846800000001e-10 3.4539507e-10 5.175388500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.0076714 0.0034745 -0.0020993 ] [ 0.0178056 -0.00877 0.0046383 ] [ -0.0101342 0.0052956 -0.002539 ] [ -0.0911931 -0.022802 0.099605 ] [ 0.0424765 0.0164446 -0.0566652 ] [ 0.0487165 0.0063573 -0.0429397 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ -1.229093772880512e-11 5.5667626689696e-12 -3.36344938004544e-12 ] [ 2.852771603931648e-11 -1.4051088964416e-11 7.43137582025664e-12 ] [ -1.623677831051136e-11 8.484486513108481e-12 -4.0679264402112e-12 ] [ -1.461074527982765e-10 -3.65328313074816e-11 1.59584802314784e-10 ] [ 6.805485523341119e-11 2.634715365840768e-11 -9.078765865295616e-11 ] [ 7.80524373472032e-11 1.018551743141184e-11 -6.879698344416577e-11 ] ] } "relaxed-potential-energy" { "source-value" -11.302867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.810918925541184e-18 } }