{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.997188 -21.2454108 -3.3355949 ] [ -39.5550693 4.2767157 -44.6707066 ] [ -11.4598337 15.6492844 28.8471912 ] [ 0.7887412 -1.9893535 -7.1902039 ] [ 10.1958063 -59.8433929 24.6757534 ] [ 44.0275435 63.1521571 1.6735608 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.40420116254231e-09 -3.403890048305182e-08 -5.344212165239714e-09 ] [ -6.337420726658383e-08 6.852053908348306e-09 -7.157036174913626e-08 ] [ -1.836067763239596e-08 2.507291759793016e-08 4.62182953163875e-08 ] [ 1.263702710501737e-09 -3.187295668206652e-09 -1.151997658736498e-08 ] [ 1.633548248406535e-08 -9.587968501372871e-08 3.953491519810612e-08 ] [ 7.0539900866955e-08 1.011809096587087e-07 2.681339987247345e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 24.970474 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.000710965309426e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0216314 0.4215227 3.2440254 ] [ 1.4868666 3.000117 0.6106597 ] [ 0.4351755 2.6107629 2.768186 ] [ 2.5224305 0.9771483 0.1652956 ] [ 3.1385471 0.7462692 2.3792691 ] [ 2.7992963 3.0717582 2.6335631 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0216314e-10 4.215227e-11 3.2440254e-10 ] [ 1.4868666e-10 3.000117e-10 6.106597e-11 ] [ 4.351755e-11 2.6107629e-10 2.768186e-10 ] [ 2.5224305e-10 9.771483e-11 1.652956e-11 ] [ 3.1385471e-10 7.462692e-11 2.3792691e-10 ] [ 2.7992963e-10 3.0717582e-10 2.6335631e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.96e-05 -7.3e-06 2.61e-05 ] [ 3.01e-05 9.5e-06 1.7e-05 ] [ -1.67e-05 -6.6e-06 -2.52e-05 ] [ -1.76e-05 2.7e-06 -1.4e-05 ] [ -1.03e-05 -2.5e-06 5e-07 ] [ -5e-06 4.3e-06 -4.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.140266176767999e-14 -1.169588933184e-14 4.181680980288e-14 ] [ 4.822551628608e-14 1.52206778976e-14 2.72370025536e-14 ] [ -2.675634956736e-14 -1.057436569728e-14 -4.037485084416e-14 ] [ -2.819830852608e-14 4.32587687616e-15 -2.24304726912e-14 ] [ -1.650241919424e-14 -4.005441552e-15 8.010883104e-16 ] [ -8.010883104e-15 6.889359469440001e-15 -7.04957713152e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.263261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.926096979376843e-18 } }