{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1023418 0.1613614 0.1060959 ] [ -0.6975229 -0.8403627 -0.2716461 ] [ 0.4949097 -0.239158 0.6183798 ] [ -0.0791521 0.407498 -1.6343435 ] [ -0.3916343 -1.908948 2.0626119 ] [ -0.6598788 1.9098105 -1.0852325 ] [ 1.2309367 0.5097988 0.2041346 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.639696392905894e-10 2.585294625795571e-10 1.699843705427348e-10 ] [ -1.117554882852616e-09 -1.346409470932364e-09 -4.352250305514989e-10 ] [ 7.929327507471417e-10 -3.831733562772864e-10 9.9075365833498e-10 ] [ -1.268156441072237e-10 6.528837686227584e-10 -2.618506946056445e-09 ] [ -6.274673193633735e-10 -3.058471855922919e-09 3.304668563963867e-09 ] [ -1.057242385921559e-09 3.059853733258359e-09 -1.738734139632336e-09 ] [ 1.972178002424704e-09 8.16787718671895e-10 3.270596836163597e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.475662 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.120345033100297e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9334821 1.1330262 2.100278 ] [ 1.8801451 2.5178029 3.8814642 ] [ 1.7084739 3.1092175 1.5798061 ] [ 4.0673322 3.0965516 1.2442939 ] [ 3.9986939 1.474104 4.2053844 ] [ 3.0140003 4.4813138 3.0254469 ] [ 5.1033805 3.387101 3.3714276 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9334821e-10 1.1330262e-10 2.100278e-10 ] [ 1.8801451e-10 2.5178029e-10 3.8814642e-10 ] [ 1.7084739e-10 3.1092175e-10 1.5798061e-10 ] [ 4.0673322e-10 3.0965516e-10 1.2442939e-10 ] [ 3.9986939e-10 1.474104e-10 4.2053844e-10 ] [ 3.0140003e-10 4.4813138e-10 3.0254469e-10 ] [ 5.1033805e-10 3.387101e-10 3.3714276e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.45e-05 2.5e-06 5e-06 ] [ -3.8e-05 -3.1e-06 3.65e-05 ] [ -3.1e-05 4.13e-05 -5.7e-05 ] [ 1.76e-05 -1.41e-05 -4.41e-05 ] [ 2.75e-05 8e-07 3.12e-05 ] [ -1.12e-05 -2.91e-05 3.3e-05 ] [ 2.07e-05 1.9e-06 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.32315610016e-14 4.005441552e-15 8.010883104e-15 ] [ -6.08827115904e-14 -4.96674752448e-15 5.84794466592e-14 ] [ -4.96674752448e-14 6.616989443904001e-14 -9.13240673856e-14 ] [ 2.819830852608e-14 -2.259069035328e-14 -7.065598897728e-14 ] [ 4.4059857072e-14 1.28174129664e-15 4.998791056896e-14 ] [ -1.794437815296e-14 -4.662333966527999e-14 5.28718284864e-14 ] [ 3.316505605055999e-14 3.04413557952e-15 -7.370012455680001e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864800740979e-18 } }