{ "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" [ [ 0.5231689 0.1640524 1.493785 ] [ 2.625554 0.0718253 0.0473088 ] [ 2.391634 1.372958 2.83206 ] [ 1.806242 1.946446 0.9821647 ] [ 1.54049 2.8226 2.60214 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.231689000000001e-11 1.640524e-11 1.493785e-10 ] [ 2.625554e-10 7.18253e-12 4.73088e-12 ] [ 2.391634e-10 1.372958e-10 2.83206e-10 ] [ 1.806242e-10 1.946446e-10 9.821647e-11 ] [ 1.54049e-10 2.8226e-10 2.60214e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6643446 -0.5118181 -0.0950706 ] [ -0.4725273 -0.4233132 0.6652365 ] [ 1.7694009 -3.4123753 2.7898459 ] [ -0.4974669 0.9314909 -5.6801065 ] [ -1.4637513 3.4160157 2.3200947 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.064397386274728e-09 -8.200229939222765e-10 -1.523198926454285e-10 ] [ -7.570721927497478e-10 -6.782225123160346e-10 1.065826367602819e-09 ] [ 2.834892754802479e-09 -5.467227927055386e-09 4.469825876614735e-09 ] [ -7.970298368018515e-10 1.492412942467951e-09 -9.100533837954116e-09 ] [ -2.345188111525607e-09 5.473060490825746e-09 3.71720148638199e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.202137 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.634562538359865e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.562504 0.5266415 1.661796 ] [ 2.7544612 0.2798885 0.6074893 ] [ 2.6458488 0.6742403 2.9325662 ] [ 1.5163913 2.2513538 0.2152688 ] [ 1.4078835 2.6457576 2.5403382 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.62504e-11 5.266415e-11 1.661796e-10 ] [ 2.754461200000001e-10 2.798885e-11 6.074893e-11 ] [ 2.6458488e-10 6.742403e-11 2.9325662e-10 ] [ 1.5163913e-10 2.2513538e-10 2.152688e-11 ] [ 1.4078835e-10 2.6457576e-10 2.5403382e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.91e-05 1.44e-05 -4.8e-06 ] [ -3.23e-05 -1.6e-06 -2.45e-05 ] [ 1.88e-05 2.1e-06 -1.8e-06 ] [ 3.63e-05 -3.48e-05 -1.5e-06 ] [ -4.19e-05 1.98e-05 3.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.060157345728e-14 2.307134333952e-14 -7.69044777984e-15 ] [ -5.175030485184e-14 -2.56348259328e-15 -3.92533272096e-14 ] [ 3.012092047104e-14 3.36457090368e-15 -2.88391791744e-15 ] [ 5.815901133504e-14 -5.575574640383999e-14 -2.4032649312e-15 ] [ -6.713120041152e-14 3.172309709184e-14 5.207074017599999e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971608059987e-18 } }