{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.8464839 -4.5878509 -3.8062177 ] [ -9.9607699 -6.588493 4.8591191 ] [ -4.1299351 7.9321436 -8.4723093 ] [ 3.9815138 -0.3293402 -3.6965995 ] [ 6.6720363 -10.0442026 5.8848627 ] [ 5.5850337 7.4131712 -0.677742 ] [ 7.6986051 6.2045719 5.9088868 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.577580643163719e-08 -7.350547512255871e-09 -6.098233062857221e-09 ] [ -1.595891279043052e-08 -1.055592953787256e-08 7.785167083843108e-09 ] [ -6.616885517156453e-09 1.270869513345264e-08 -1.357413599648089e-08 ] [ 6.379088378308549e-09 -5.276611730768867e-10 -5.922605344156083e-09 ] [ 1.068978066105981e-08 -1.609258671288205e-08 9.428589512238151e-09 ] [ 8.948210494242566e-09 1.187720968048174e-08 -1.085862396280428e-09 ] [ 1.233452520561323e-08 9.940820122152984e-09 9.46708036391103e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.561288 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.051234232254459e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1888268 2.552923 1.2879448 ] [ 1.7844339 2.2206908 4.2992397 ] [ 2.3191646 4.407426 3.0614255 ] [ 4.5664292 2.1333689 1.8789986 ] [ 4.244771 1.8689875 4.2730478 ] [ 4.5669974 4.6184831 1.8355987 ] [ 4.1627461 4.2860848 4.8468929 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1888268e-10 2.552923e-10 1.2879448e-10 ] [ 1.7844339e-10 2.2206908e-10 4.299239700000001e-10 ] [ 2.3191646e-10 4.407426e-10 3.0614255e-10 ] [ 4.5664292e-10 2.1333689e-10 1.8789986e-10 ] [ 4.244771e-10 1.8689875e-10 4.2730478e-10 ] [ 4.5669974e-10 4.6184831e-10 1.8355987e-10 ] [ 4.1627461e-10 4.2860848e-10 4.8468929e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.25e-05 1.76e-05 1.15e-05 ] [ -2.34e-05 -1.91e-05 2.04e-05 ] [ 2.13e-05 1.14e-05 1.2e-06 ] [ 2.93e-05 2.09e-05 -8.2e-06 ] [ 7.7e-06 -1.81e-05 1.61e-05 ] [ 5.9e-06 -9.5e-06 -3.66e-05 ] [ -2.84e-05 -3.1e-06 -4.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.0027207925e-14 2.81983087584e-14 1.8425031291e-14 ] [ -3.749093323559999e-14 -3.06015737094e-14 3.26844033336e-14 ] [ 3.41263623042e-14 1.82648136276e-14 1.9226119608e-15 ] [ 4.69437753762e-14 3.34854916506e-14 -1.31378483988e-14 ] [ 1.23367600818e-14 -2.899939707539999e-14 2.579504380739999e-14 ] [ 9.452842140600001e-15 -1.5220678023e-14 -5.86396648044e-14 ] [ -4.550181640559999e-14 -4.9667475654e-15 -7.0495771896e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.807478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.853072516206905e-18 } }