{ "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" [ [ 0.8607676 0.6821364 0.0210852 ] [ -1.5929219 3.8572337 0.8826062 ] [ -8.3451311 -2.198312 -2.7417936 ] [ 2.5502024 -4.6275756 0.2069101 ] [ 0.557805 -0.7863911 0.5202476 ] [ 6.9262843 3.5719116 0.0695176 ] [ -0.9570063 -0.499003 1.0414271 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.379101724662126e-09 1.092902992276677e-09 3.378221448489216e-11 ] [ -2.552142226940316e-09 6.179969655101881e-09 1.414091019013129e-09 ] [ -1.337037394593099e-08 -3.52208409162409e-09 -4.392837604979067e-09 ] [ 4.08587466358805e-09 -7.414193437304534e-09 3.315065248273901e-10 ] [ 8.93702129965344e-10 -1.259937435225195e-09 8.335285417473101e-10 ] [ 1.109713077447409e-08 5.722833257084321e-09 1.113794734541261e-10 ] [ -1.533293119818311e-09 -7.994909403090623e-10 1.668550151887544e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.123079 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.102549036671145e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3804545 1.96888 3.2655254 ] [ 3.1375436 5.348469 2.5642656 ] [ 2.2645238 3.4646843 1.2613295 ] [ 4.4494022 2.2692552 1.7914774 ] [ 5.5046375 3.1259807 3.9585206 ] [ 5.3996694 4.6258422 1.9567602 ] [ 3.2370722 3.9023796 4.5300943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3804545e-10 1.96888e-10 3.2655254e-10 ] [ 3.1375436e-10 5.348469e-10 2.5642656e-10 ] [ 2.2645238e-10 3.4646843e-10 1.2613295e-10 ] [ 4.4494022e-10 2.2692552e-10 1.7914774e-10 ] [ 5.5046375e-10 3.1259807e-10 3.9585206e-10 ] [ 5.3996694e-10 4.625842200000001e-10 1.9567602e-10 ] [ 3.2370722e-10 3.902379600000001e-10 4.5300943e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.14e-05 1.5e-05 -3.13e-05 ] [ 3.57e-05 -5e-07 -4e-06 ] [ -6.52e-05 -1.9e-05 -9.4e-06 ] [ 3.21e-05 -1.21e-05 -2.6e-06 ] [ 5e-06 -1.2e-05 1.7e-05 ] [ -1.79e-05 1.16e-05 5.6e-06 ] [ -1.1e-06 1.69e-05 2.48e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.826481347712e-14 2.4032649312e-14 -5.014812823104e-14 ] [ 5.719770536256001e-14 -8.010883104e-16 -6.4087064832e-15 ] [ -1.0446191567616e-13 -3.04413557952e-14 -1.506046023552e-14 ] [ 5.142986952768e-14 -1.938633711168e-14 -4.16565921408e-15 ] [ 8.010883104e-15 -1.92261194496e-14 2.72370025536e-14 ] [ -2.867896151232001e-14 1.858524880128e-14 8.972189076479999e-15 ] [ -1.76239428288e-15 2.707678489152e-14 3.973398019584e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.305811 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.932914240898347e-18 } }