{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5242106 -1.9927233 -2.0707633 ] [ -4.181129 -3.2350342 -1.4318153 ] [ -2.7140895 2.6858543 1.2043882 ] [ -2.3979568 -4.161999 0.0904079 ] [ 3.1512043 2.6451495 -0.9473577 ] [ 2.9658377 1.084811 0.9679143 ] [ 2.6519228 2.9739417 2.187226 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.398779746151203e-10 -3.192694709287372e-09 -3.317728573804732e-09 ] [ -6.698907187539786e-09 -5.183096205430882e-09 -2.2940210178637e-09 ] [ -4.348450779484742e-09 4.303213001788425e-09 1.929642632305318e-09 ] [ -3.841950354301411e-09 -6.668257548531366e-09 1.448494249090086e-10 ] [ 5.048785898420326e-09 4.237996722336783e-09 -1.517834370979982e-09 ] [ 4.751795863176301e-09 1.738058836506174e-09 1.550769675174466e-09 ] [ 4.248848745331854e-09 4.764779902618237e-09 3.504322390477283e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.635699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.306203476405716e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7659959 1.7767548 1.1735967 ] [ 1.9485267 0.9288893 3.4206993 ] [ 1.9448572 3.2945991 2.8797819 ] [ 3.9064599 -0.1020237 2.3117947 ] [ 5.0605662 2.0792999 2.1225197 ] [ 4.2431042 1.2314038 4.3696115 ] [ 4.0970808 3.5783518 3.7698592 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7659959e-10 1.7767548e-10 1.1735967e-10 ] [ 1.9485267e-10 9.288893e-11 3.4206993e-10 ] [ 1.9448572e-10 3.2945991e-10 2.8797819e-10 ] [ 3.9064599e-10 -1.020237e-11 2.3117947e-10 ] [ 5.0605662e-10 2.0792999e-10 2.1225197e-10 ] [ 4.243104200000001e-10 1.2314038e-10 4.369611500000001e-10 ] [ 4.0970808e-10 3.5783518e-10 3.7698592e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8e-07 2e-06 5e-07 ] [ -1.84e-05 -4.9e-06 -8.5e-06 ] [ 1.2e-06 -6.1e-06 1.53e-05 ] [ 9.3e-06 4.8e-06 5.8e-06 ] [ 4e-06 -6.7e-06 3.6e-06 ] [ -2e-06 3.7e-06 -7.4e-06 ] [ 6.6e-06 7.1e-06 -9.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.2817413072e-15 3.204353268e-15 8.010883169999999e-16 ] [ -2.94800500656e-14 -7.850665506599998e-15 -1.3618501389e-14 ] [ 1.9226119608e-15 -9.773277467399999e-15 2.45133025002e-14 ] [ 1.49002426962e-14 7.690447843199998e-15 9.2926244772e-15 ] [ 6.408706535999999e-15 -1.07345834478e-14 5.767835882399999e-15 ] [ -3.204353268e-15 5.9280535458e-15 -1.18561070916e-14 ] [ 1.05743657844e-14 1.13754541014e-14 -1.47400250328e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.563325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.615043210034805e-18 } }