{ "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" [ [ -5.902564 -4.4017653 2.2991235 ] [ 5.3504927 -4.5088836 -3.4227 ] [ 11.1084925 -14.5940959 21.0802455 ] [ -7.281654 15.3784581 -17.5608629 ] [ -3.2747673 8.1262867 -2.3958062 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.456950043575731e-09 -7.052405453908698e-09 3.683601920031869e-09 ] [ 8.572434313701069e-09 -7.224027889828539e-09 -5.483769920012159e-09 ] [ 1.779776697583215e-08 -2.338231925269313e-08 3.377427650082441e-08 ] [ -1.16664957995548e-08 2.463900603177239e-08 -2.813560397945409e-08 ] [ -5.24675560662034e-09 1.301974656465798e-08 -3.838504681607688e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.66813207 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.070465582160709e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7147725 -0.0564025 1.7383659 ] [ 2.7776895 0.4111069 -0.3687723 ] [ 2.0012446 0.9841819 3.7395665 ] [ 1.2452292 2.0981749 0.6470969 ] [ 2.1481532 2.9408205 2.2012016 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.147725000000001e-11 -5.640250000000001e-12 1.7383659e-10 ] [ 2.7776895e-10 4.111069e-11 -3.687723e-11 ] [ 2.0012446e-10 9.841819000000001e-11 3.7395665e-10 ] [ 1.2452292e-10 2.0981749e-10 6.470969e-11 ] [ 2.1481532e-10 2.9408205e-10 2.2012016e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.01e-05 -3.47e-05 -2.79e-05 ] [ -5.7e-06 3.51e-05 1.43e-05 ] [ 7e-07 3.08e-05 -2.92e-05 ] [ 3.13e-05 -4.39e-05 7.47e-05 ] [ 1.39e-05 1.28e-05 -3.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.424728249408e-14 -5.559552874176001e-14 -4.470072772032e-14 ] [ -9.13240673856e-15 5.623639939008e-14 2.291112567744e-14 ] [ 1.12152363456e-15 4.934703992064001e-14 -4.678355732736e-14 ] [ 5.014812823104e-14 -7.033555365312e-14 1.1968259357376e-13 ] [ 2.227025502912e-14 2.050786074624e-14 -5.12696518656e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.351186 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.818660482755227e-18 } }