{ "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" [ [ 1.79141 2.530899 1.169625 ] [ 2.427567 4.27143 3.28825 ] [ 4.049049 2.026656 0.8582536 ] [ 3.63347 2.471275 3.089518 ] [ 3.6938 4.301317 1.502863 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.79141e-10 2.530899e-10 1.169625e-10 ] [ 2.427567e-10 4.27143e-10 3.28825e-10 ] [ 4.049049e-10 2.026656e-10 8.582536e-11 ] [ 3.63347e-10 2.471275e-10 3.089518e-10 ] [ 3.6938e-10 4.301317e-10 1.502863e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5257286 2.3280233 2.9263784 ] [ -3.8686574 1.2150536 0.9721877 ] [ 1.0976529 -0.6739354 -1.3528551 ] [ 0.5320323 -2.4992449 0.0026105 ] [ 0.7132435 -0.3698966 -2.5483215 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.444486692605915e-09 3.729904503937665e-09 4.688575056094111e-09 ] [ -6.198272440164914e-09 1.946730470938875e-09 1.557616403969324e-09 ] [ 1.75863381413332e-09 -1.079763541809496e-09 -2.167512812550046e-09 ] [ 8.52409712570452e-10 -4.004231748433633e-09 4.1824820685984e-12 ] [ 1.142742060637565e-09 -5.926396846334093e-10 -4.082861129581988e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.542112 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.650338510505513e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.88731 2.6985252 1.4265389 ] [ 2.1564353 4.2760646 3.2393961 ] [ 4.0816824 1.9645737 0.7239958 ] [ 3.6858339 2.4108831 3.0674273 ] [ 3.7840345 4.2515305 1.4511516 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.88731e-10 2.6985252e-10 1.4265389e-10 ] [ 2.1564353e-10 4.2760646e-10 3.2393961e-10 ] [ 4.0816824e-10 1.9645737e-10 7.239957999999999e-11 ] [ 3.6858339e-10 2.4108831e-10 3.0674273e-10 ] [ 3.7840345e-10 4.251530500000001e-10 1.4511516e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.91e-05 1.3e-05 -5.74e-05 ] [ -1.87e-05 5e-06 6.26e-05 ] [ -2.9e-06 1.4e-06 6.28e-05 ] [ 3.71e-05 5e-07 -3.33e-05 ] [ 3.7e-06 -1.99e-05 -3.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.060157345728e-14 2.08282960704e-14 -9.196493803392e-14 ] [ -2.996070280896e-14 8.010883104e-15 1.0029625646208e-13 ] [ -4.646312200320001e-15 2.24304726912e-15 1.0061669178624e-13 ] [ 5.944075263168e-14 8.010883104e-16 -5.335248147264001e-14 ] [ 5.928053496960001e-15 -3.188331475392e-14 -5.559552874176001e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.096417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.899365623764767e-18 } }