{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3923229 1.4343077 1.8663903 ] [ -0.7272813 -1.7644744 -1.2275794 ] [ -4.9155968 -1.5813568 -1.2071939 ] [ 2.7294771 -6.607446 -3.1381014 ] [ 1.4002813 -2.1032842 7.7788821 ] [ 3.0105214 11.2807548 0.2364844 ] [ -2.8897245 -0.6585011 -4.3088821 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.230747217363118e-09 2.298014282906281e-09 2.99028692858425e-09 ] [ -1.165233105205144e-09 -2.82699965497117e-09 -1.966799031059739e-09 ] [ -7.875654335125172e-09 -2.533612914977011e-09 -1.934137859287333e-09 ] [ 4.373104432658081e-09 -1.058629559161676e-08 -5.027792738202687e-09 ] [ 2.243497979887144e-09 -3.369832799901383e-09 1.246314313926085e-08 ] [ 4.823387043236967e-09 1.807376175444334e-08 3.788897799855096e-10 ] [ -4.629849072597333e-09 -1.055035075883297e-09 -6.903590219280851e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.45674506491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.156008251270385e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9556542 1.7027718 0.8776002 ] [ 2.9538244 0.6571474 2.7631469 ] [ 2.0679306 3.1262726 3.0055425 ] [ 4.963274 1.8543594 1.9611948 ] [ 4.375204 2.7079986 4.2061909 ] [ 4.0598583 4.7385357 3.0135121 ] [ 3.5818843 3.5458214 0.9177724 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9556542e-10 1.7027718e-10 8.776002000000001e-11 ] [ 2.9538244e-10 6.571474000000001e-11 2.7631469e-10 ] [ 2.0679306e-10 3.1262726e-10 3.0055425e-10 ] [ 4.963274000000001e-10 1.8543594e-10 1.9611948e-10 ] [ 4.375204e-10 2.7079986e-10 4.2061909e-10 ] [ 4.0598583e-10 4.738535700000001e-10 3.0135121e-10 ] [ 3.5818843e-10 3.5458214e-10 9.177724e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.29e-05 1.49e-05 -1.8e-05 ] [ -2.11e-05 5.62e-05 3.5e-05 ] [ 0.000134 -1.14e-05 8.3e-06 ] [ -3.06e-05 -4.63e-05 4.23e-05 ] [ 2.6e-06 2.91e-05 -9.91e-05 ] [ -0.0001131 -8.3e-05 1.05e-05 ] [ 5.3e-06 4.06e-05 2.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.66898449186e-14 2.38724318466e-14 -2.8839179412e-14 ] [ -3.38059269774e-14 9.004232683079999e-14 5.607618218999999e-14 ] [ 2.14691668956e-13 -1.82648136276e-14 1.32980660622e-14 ] [ -4.90266050004e-14 -7.41807781542e-14 6.77720716182e-14 ] [ 4.165659248399999e-15 4.66233400494e-14 -1.587757044294e-13 ] [ -1.812061773054e-13 -1.32980660622e-13 1.6822854657e-14 ] [ 8.4915361602e-15 6.504837134039999e-14 3.38059269774e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.180097064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.912772672126102e-18 } }