{ "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" [ [ 1.5544359 2.0092865 -0.3448537 ] [ -1.1461647 2.4108028 1.0596314 ] [ -5.3370648 -2.7452918 -1.4145086 ] [ 1.1114361 -2.850071 0.7404714 ] [ -1.0087693 0.1000823 -0.2289634 ] [ 5.0354681 2.3349912 0.3681316 ] [ -0.2093413 -1.2597999 -0.1799088 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.490480857512207e-09 3.219231854789059e-09 -5.52516535736377e-10 ] [ -1.836358285926246e-09 3.862531883519178e-09 1.697716655745573e-09 ] [ -8.550920446254629e-09 -4.398442339233949e-09 -2.266292608840539e-09 ] [ 1.780716934933131e-09 -4.566317123820076e-09 1.186365965451045e-09 ] [ -1.616226588240781e-09 1.603495212158918e-10 -3.668398064988787e-10 ] [ 8.067709264604197e-09 3.741068310413737e-09 5.898118428976973e-10 ] [ -3.354017366278791e-10 -2.018421946666178e-09 -2.882456732361831e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.594256 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.697386927797012e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4872008 2.0982577 3.2604841 ] [ 3.1580687 5.2317292 2.6022525 ] [ 2.3972002 3.4980438 1.3266471 ] [ 4.4842123 2.2270266 1.7851232 ] [ 5.3459902 3.1827317 3.912394 ] [ 5.2559893 4.5825074 1.978548 ] [ 3.2446415 3.8851947 4.4625241 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4872008e-10 2.0982577e-10 3.2604841e-10 ] [ 3.1580687e-10 5.2317292e-10 2.6022525e-10 ] [ 2.3972002e-10 3.4980438e-10 1.3266471e-10 ] [ 4.4842123e-10 2.2270266e-10 1.7851232e-10 ] [ 5.345990200000001e-10 3.1827317e-10 3.912394e-10 ] [ 5.2559893e-10 4.5825074e-10 1.978548e-10 ] [ 3.2446415e-10 3.8851947e-10 4.462524100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.3e-06 1.8e-06 5.9e-06 ] [ 5.8e-06 2.6e-06 2.1e-06 ] [ -1.24e-05 9e-07 -2.01e-05 ] [ 1.88e-05 3.4e-06 3.1e-06 ] [ -1.13e-05 -9e-07 -1.19e-05 ] [ -1.13e-05 -1.12e-05 9e-06 ] [ 8.1e-06 3.4e-06 1.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.68500622784e-15 2.88391791744e-15 9.45284206272e-15 ] [ 9.292624400640001e-15 4.16565921408e-15 3.36457090368e-15 ] [ -1.986699009792e-14 1.44195895872e-15 -3.220375007808e-14 ] [ 3.012092047104e-14 5.44740051072e-15 4.96674752448e-15 ] [ -1.810459581504e-14 -1.44195895872e-15 -1.906590178752e-14 ] [ -1.810459581504e-14 -1.794437815296e-14 1.44195895872e-14 ] [ 1.297763062848e-14 5.44740051072e-15 1.890568412544e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }