{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.191001 -4.8538726 -2.3621649 ] [ -5.7790582 2.7426307 -6.8697578 ] [ -5.5492955 -1.1292006 6.3030219 ] [ 3.6333843 -0.5501225 -0.4823016 ] [ 2.624032 -0.8493804 1.9111998 ] [ 2.8349287 0.0609715 -2.154869 ] [ 5.4270097 4.5789739 3.6548715 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.112547241270634e-09 -7.776761264132827e-09 -3.784605408434946e-09 ] [ -9.259072014566098e-09 4.394178823231063e-09 -1.100656542839925e-08 ] [ -8.890951585261347e-09 -1.80917881641878e-09 1.009855441177028e-08 ] [ 5.821323427802445e-09 -8.813934153376649e-10 -7.727323540608144e-10 ] [ 4.204162757268288e-09 -1.360857430257573e-09 3.062079662465473e-09 ] [ 4.542056522195995e-09 9.768711263993099e-11 -3.452480761130946e-09 ] [ 8.69502813383135e-09 7.336324990275852e-09 5.855749717572531e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.349104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.260285895163593e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1200097 1.5711261 3.0664903 ] [ 1.8241201 3.9580853 2.3777731 ] [ 1.4647458 3.2963706 4.7830451 ] [ 4.5764918 1.7695508 2.5621212 ] [ 3.7783924 2.302129 4.8875224 ] [ 4.2894964 4.0848416 1.8940898 ] [ 3.482517 4.6890826 4.198808 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1200097e-10 1.5711261e-10 3.0664903e-10 ] [ 1.8241201e-10 3.9580853e-10 2.3777731e-10 ] [ 1.4647458e-10 3.2963706e-10 4.7830451e-10 ] [ 4.5764918e-10 1.7695508e-10 2.5621212e-10 ] [ 3.7783924e-10 2.302129e-10 4.8875224e-10 ] [ 4.2894964e-10 4.0848416e-10 1.8940898e-10 ] [ 3.482517e-10 4.6890826e-10 4.198808e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.78e-05 0.000256 5.4e-06 ] [ 8.99e-05 -0.000148 9.98e-05 ] [ 0.0001622 -6.45e-05 -0.0001062 ] [ -1.45e-05 -5.18e-05 5.62e-05 ] [ -6.92e-05 0.000137 -9.59e-05 ] [ -6.63e-05 1.1e-06 7.1e-06 ] [ -8.43e-05 -0.0001297 3.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.851874408519999e-14 4.10157218304e-13 8.6517538236e-15 ] [ 1.440356793966e-13 -2.37122141832e-13 1.598972280732e-13 ] [ 2.598730500348e-13 -1.03340392893e-13 -1.701511585308e-13 ] [ -2.3231561193e-14 -8.299274964119999e-14 9.004232683079999e-14 ] [ -1.108706230728e-13 2.19498198858e-13 -1.536487392006e-13 ] [ -1.062243108342e-13 1.7623942974e-15 1.13754541014e-14 ] [ -1.350634902462e-13 -2.078023094298e-13 5.383313490239999e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.011241 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.007242591754279e-18 } }