{ "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" [ [ 0.9066893 0.9379891 0.1369545 ] [ 0.7550462 2.78121 2.963246 ] [ 2.797941 0.0158314 0.1688765 ] [ 2.09203 0.1495358 1.796908 ] [ 2.487588 2.015226 1.460751 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.066893000000001e-11 9.379891e-11 1.369545e-11 ] [ 7.550462e-11 2.78121e-10 2.963246e-10 ] [ 2.797941e-10 1.58314e-12 1.688765e-11 ] [ 2.09203e-10 1.495358e-11 1.796908e-10 ] [ 2.487588e-10 2.015226e-10 1.460751e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8795911 2.4568509 -1.6749361 ] [ 0.4305691 -0.6715876 -0.4799014 ] [ 12.5499957 -2.2393353 -20.2793632 ] [ -10.3784078 -8.2724847 24.7267724 ] [ 2.277434 8.7265567 -2.2925718 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.817966843894356e-09 3.936309105201871e-09 -2.683543482863087e-09 ] [ 6.898477513424093e-10 -1.076001960404138e-09 -7.688868097038875e-10 ] [ 2.010730986734047e-08 -3.58781069335138e-09 -3.249112187143947e-08 ] [ -1.662804247528334e-08 -1.32539816914625e-08 3.96166569735161e-08 ] [ 3.648851540277156e-09 1.398148524001615e-08 -3.673104969727321e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.079246 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.775090906353796e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7720931 1.1856506 0.4143873 ] [ 0.7691176 2.2397444 2.5196958 ] [ 2.8466122 0.1201736 0.0910083 ] [ 1.8961584 0.191051 2.2439201 ] [ 2.7553133 2.1631727 1.2577245 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.720931e-11 1.1856506e-10 4.143873e-11 ] [ 7.691176e-11 2.2397444e-10 2.5196958e-10 ] [ 2.8466122e-10 1.201736e-11 9.10083e-12 ] [ 1.8961584e-10 1.91051e-11 2.2439201e-10 ] [ 2.7553133e-10 2.1631727e-10 1.2577245e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.9e-06 -7.5e-06 1.4e-05 ] [ -9.2e-06 -3.42e-05 -5.12e-05 ] [ -5.39e-05 1.39e-05 1.6e-06 ] [ 3.34e-05 5.03e-05 -8.9e-06 ] [ 2.69e-05 -2.25e-05 4.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.6463122386e-15 -1.2016324755e-14 2.243047287599999e-14 ] [ -1.47400250328e-14 -5.479444088279999e-14 -8.20314436608e-14 ] [ -8.635732057259999e-14 2.22702552126e-14 2.5634826144e-15 ] [ 5.351269957559999e-14 8.05894846902e-14 -1.42593720426e-14 ] [ 4.309855145459999e-14 -3.6048974265e-14 7.129686021299999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.398784 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.268245508681305e-18 } }