{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.5098055 1.6066495 -4.1112536 ] [ 0.8260579 0.9786606 3.959711 ] [ -1.2655279 -3.0714499 -1.6128903 ] [ -2.1449428 1.1514573 -2.3591706 ] [ 5.431626 -0.6745378 -1.8950259 ] [ 0.7170004 -2.7520742 4.3507553 ] [ 1.9455919 2.7612946 1.6678742 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.827681557255254e-09 2.57413626672001e-09 -6.586954400099836e-09 ] [ 1.323490654807144e-09 1.567987133018101e-09 6.344156389324589e-09 ] [ -2.02759921435012e-09 -4.921005221738498e-09 -2.584135130575098e-09 ] [ -3.436577207113291e-09 1.844837965909492e-09 -3.779807979798709e-09 ] [ 8.70242419012942e-09 -1.080728693005866e-09 -3.036166192790479e-09 ] [ 1.148761277984248e-09 -4.409308941946863e-09 6.970678424481691e-09 ] [ 3.117181855797852e-09 4.424081651261287e-09 2.672229049675503e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.616363 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.463323142532615e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4399771 2.7267564 1.5872902 ] [ 1.1996932 2.0715652 3.7332953 ] [ 3.4096826 3.1784401 4.4142396 ] [ 1.5039448 4.4383643 3.2507669 ] [ 4.8691778 2.5788524 2.3935251 ] [ 3.2795238 0.9223272 3.2034932 ] [ 3.7718137 4.7518834 2.4227498 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4399771e-10 2.726756400000001e-10 1.5872902e-10 ] [ 1.1996932e-10 2.0715652e-10 3.7332953e-10 ] [ 3.4096826e-10 3.1784401e-10 4.4142396e-10 ] [ 1.5039448e-10 4.4383643e-10 3.2507669e-10 ] [ 4.8691778e-10 2.5788524e-10 2.3935251e-10 ] [ 3.2795238e-10 9.223272000000001e-11 3.2034932e-10 ] [ 3.7718137e-10 4.751883399999999e-10 2.4227498e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.02e-05 2.29e-05 8.84e-05 ] [ 2.53e-05 2.98e-05 -2.69e-05 ] [ -2.23e-05 5.7e-06 -1.56e-05 ] [ 2.36e-05 -4.15e-05 -7e-06 ] [ 6.7e-06 3.5e-06 2.7e-06 ] [ -2.01e-05 -2.57e-05 -1.65e-05 ] [ -2.35e-05 5.4e-06 -2.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.634220153216e-14 3.668984461632e-14 1.4163241327872e-13 ] [ 4.053506850624e-14 4.774486329984001e-14 -4.309855109952001e-14 ] [ -3.572853864384e-14 9.13240673856e-15 -2.499395528448e-14 ] [ 3.781136825088e-14 -6.64903297632e-14 -1.12152363456e-14 ] [ 1.073458335936e-14 5.6076181728e-15 4.32587687616e-15 ] [ -3.220375007808e-14 -4.117593915456e-14 -2.64359142432e-14 ] [ -3.76511505888e-14 8.65175375232e-15 -4.053506850624e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }