{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.9257018 -3.6317175 -0.8902757 ] [ -5.9266686 7.1783349 -5.2909942 ] [ 4.7472823 1.7262668 6.1816529 ] [ -1.7855267 -0.9066888 1.1790617 ] [ 0.9265427 -1.4553699 -0.8555507 ] [ -0.0222082 -1.5501463 2.6221307 ] [ -3.8651234 -1.3606793 -2.9460247 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.49402096401174e-09 -5.818652919788894e-09 -1.426378924357994e-09 ] [ -9.495569948381493e-09 1.150096044780673e-08 -8.477107277869522e-09 ] [ 7.605984776061777e-09 2.765784331009951e-09 9.904099835878336e-09 ] [ -2.860729158123127e-09 -1.452675609669499e-09 1.889065105784318e-09 ] [ 1.484485064343272e-09 -2.331759647606917e-09 -1.370743340742344e-09 ] [ -3.55814591231988e-11 -2.483608181141554e-09 4.201116538834063e-09 ] [ -6.192610399006634e-09 -2.180048580827476e-09 -4.720051937526859e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.415157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.790215762284154e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1374278 1.4978121 2.0727733 ] [ 1.246165 3.1393982 1.8620733 ] [ 1.9814347 2.3753946 4.092883 ] [ 2.8732912 4.6441793 3.0472012 ] [ 4.9742268 3.0782967 2.6344959 ] [ 3.4170109 3.6492595 0.8042251 ] [ 4.0261666 3.4099546 4.818185 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1374278e-10 1.4978121e-10 2.0727733e-10 ] [ 1.246165e-10 3.1393982e-10 1.8620733e-10 ] [ 1.9814347e-10 2.3753946e-10 4.092883e-10 ] [ 2.8732912e-10 4.6441793e-10 3.0472012e-10 ] [ 4.974226800000001e-10 3.0782967e-10 2.6344959e-10 ] [ 3.4170109e-10 3.6492595e-10 8.042251e-11 ] [ 4.0261666e-10 3.4099546e-10 4.818185e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-06 5.62e-05 3.19e-05 ] [ 1.32e-05 1.38e-05 -1.17e-05 ] [ -2.71e-05 -3.24e-05 -4.5e-06 ] [ -6.6e-06 -4.8e-06 -2.15e-05 ] [ 5.98e-05 -1.23e-05 1.25e-05 ] [ -4.79e-05 -1.34e-05 5.9e-06 ] [ 5.9e-06 -7e-06 -1.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.165659248399999e-15 9.004232683079999e-14 5.11094346246e-14 ] [ 2.11487315688e-14 2.21100375492e-14 -1.87454666178e-14 ] [ -4.34189867814e-14 -5.19105229416e-14 -7.209794853e-15 ] [ -1.05743657844e-14 -7.690447843199998e-15 -3.4446797631e-14 ] [ 9.581016271319999e-14 -1.97067725982e-14 2.0027207925e-14 ] [ -7.674426076859999e-14 -2.14691668956e-14 9.452842140600001e-15 ] [ 9.452842140600001e-15 -1.1215236438e-14 -2.01874255884e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.602861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.461159912174987e-18 } }