{ "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" [ [ 0.8089267 0.144273 0.3085018 ] [ 0.0391703 1.366973 2.60492 ] [ 1.362051 2.292395 1.899207 ] [ 2.93764 0.2840218 0.2571454 ] [ 1.745173 0.2602682 2.163878 ] [ 2.951376 1.632187 2.170679 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.089267000000001e-11 1.44273e-11 3.085018e-11 ] [ 3.91703e-12 1.366973e-10 2.60492e-10 ] [ 1.362051e-10 2.292395e-10 1.899207e-10 ] [ 2.93764e-10 2.840218e-11 2.571454e-11 ] [ 1.745173e-10 2.602682e-11 2.163878e-10 ] [ 2.951376e-10 1.632187e-10 2.170679e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.5264659 -7.2121504 -12.6107385 ] [ -22.264619 -1.736428 10.6973006 ] [ -6.3517742 29.7301505 -3.2390853 ] [ 9.5383238 -4.3404955 -10.7159616 ] [ -0.7321482 -22.9962041 11.0557458 ] [ 27.3366835 6.5551275 4.812739 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.205872770222843e-08 -1.155513875657337e-08 -2.020463039572246e-08 ] [ -3.567185203281947e-08 -2.782064345302503e-09 1.713896492698981e-08 ] [ -1.017666412384062e-08 4.763295206396543e-08 -5.189586740436954e-09 ] [ 1.528207939398022e-08 -6.954240412787607e-09 -1.716886314491056e-08 ] [ -1.173030729000803e-09 -3.68439805761651e-08 1.77132574462678e-08 ] [ 4.379819519390912e-08 1.050247202686315e-08 7.710857907812372e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 11.897733 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.906226965312065e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7845684 -0.2600954 0.8562381 ] [ -0.278048 1.6509327 1.4534154 ] [ 1.4281166 2.8695555 2.3223285 ] [ 2.6627658 0.7520586 -0.0963439 ] [ 2.0707855 -0.4804061 2.7944351 ] [ 3.1761487 1.4480726 2.0742579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.845684e-11 -2.600954e-11 8.562381e-11 ] [ -2.78048e-11 1.6509327e-10 1.4534154e-10 ] [ 1.4281166e-10 2.8695555e-10 2.3223285e-10 ] [ 2.6627658e-10 7.520586e-11 -9.63439e-12 ] [ 2.0707855e-10 -4.804061e-11 2.7944351e-10 ] [ 3.1761487e-10 1.4480726e-10 2.0742579e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.93e-05 -9e-07 9.9e-06 ] [ -2.9e-06 -7.4e-06 -2.34e-05 ] [ -2.32e-05 -2.28e-05 -5.4e-06 ] [ -7.6e-06 3.72e-05 -8.2e-06 ] [ -4e-06 1.72e-05 2.32e-05 ] [ 6.69e-05 -2.33e-05 4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.694377498944e-14 -1.44195895872e-15 1.586154854592e-14 ] [ -4.646312200320001e-15 -1.185610699392e-14 -3.749093292672001e-14 ] [ -3.717049760256e-14 -3.652962695424e-14 -8.65175375232e-15 ] [ -1.217654231808e-14 5.960097029376001e-14 -1.313784829056e-14 ] [ -6.4087064832e-15 2.755743787776e-14 3.717049760256e-14 ] [ 1.0718561593152e-13 -3.733071526464e-14 6.4087064832e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.433831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.831901671437829e-18 } }