{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4191919 0.8222526 0.2510936 ] [ 0.2848942 2.623705 0.3718827 ] [ 0.6213019 2.72569 2.983351 ] [ 2.411362 0.3472546 0.8650246 ] [ 2.114314 0.6145619 2.800723 ] [ 2.695562 2.69906 2.453497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.191919e-11 8.222526e-11 2.510936e-11 ] [ 2.848942e-11 2.623705000000001e-10 3.718827e-11 ] [ 6.213019e-11 2.72569e-10 2.983351e-10 ] [ 2.411362e-10 3.472546e-11 8.650246000000001e-11 ] [ 2.114314e-10 6.145619e-11 2.800723e-10 ] [ 2.695562e-10 2.69906e-10 2.453497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 17.2227734 -325.885615 -25.3382929 ] [ -22.177597 325.2680016 27.1194777 ] [ -46.5294505 3.224831 6.7954642 ] [ 21.4551034 -17.5699393 -112.9052069 ] [ -18.7128986 -1.0832689 115.7749047 ] [ 48.7420694 16.0459906 -11.4463468 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.759392488681613e-08 -5.221263134080297e-07 -4.059642049536263e-08 ] [ -3.553242741892422e-08 5.211367876578569e-07 4.345019313924696e-08 ] [ -7.454839776977087e-08 5.166748834231085e-09 1.088753386872337e-08 ] [ 3.437486506432659e-08 -2.815014597533512e-08 -1.808940828617669e-07 ] [ -2.998136864432105e-08 -1.735588105619733e-09 1.85491845585688e-07 ] [ 7.809340404209109e-08 2.570851099689656e-08 -1.833906923652889e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 64.712519 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.036808850148758e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.5335883 0.7517581 -0.601752 ] [ -0.401175 2.7282494 0.6417004 ] [ 0.666537 2.7989851 2.9250624 ] [ 2.1913277 -0.440244 0.867097 ] [ 2.3157401 0.7833759 3.0684654 ] [ 3.2406079 3.2103996 2.8249986 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.335883e-11 7.517581e-11 -6.01752e-11 ] [ -4.01175e-11 2.7282494e-10 6.417004e-11 ] [ 6.66537e-11 2.7989851e-10 2.9250624e-10 ] [ 2.1913277e-10 -4.402440000000001e-11 8.67097e-11 ] [ 2.3157401e-10 7.833759e-11 3.0684654e-10 ] [ 3.2406079e-10 3.2103996e-10 2.8249986e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.63e-05 -1.98e-05 -3.23e-05 ] [ 3.34e-05 -7.7e-06 5.15e-05 ] [ 3.6e-06 -1.7e-06 1.69e-05 ] [ -2.67e-05 2.82e-05 -1.5e-06 ] [ -2.33e-05 9.8e-06 9e-06 ] [ -2.33e-05 -8.9e-06 -4.35e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.815901133504e-14 -3.172309709184e-14 -5.175030485184e-14 ] [ 5.351269913472e-14 -1.233675998016e-14 8.25120959712e-14 ] [ 5.76783583488e-15 -2.72370025536e-15 2.707678489152e-14 ] [ -4.277811577536e-14 4.518138070656001e-14 -2.4032649312e-15 ] [ -3.733071526464e-14 1.570133088384e-14 1.44195895872e-14 ] [ -3.733071526464e-14 -1.425937192512e-14 -6.969468300480001e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.53523 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.129888878795079e-18 } }