{ "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" [ [ 13.4181754 -6.2956172 3.2295299 ] [ -6.77488 19.3968798 -7.3973237 ] [ 6.6427969 0.0391776 3.2365396 ] [ 0.4441058 -9.7080451 -1.0939075 ] [ -8.8698893 -0.2109758 0.5490486 ] [ -1.8955383 -3.2441852 9.2032594 ] [ -2.9647706 0.022766 -7.7271462 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.149828691967369e-08 -1.008669069134636e-08 5.174277301954563e-09 ] [ -1.08545543447255e-08 3.107722733202778e-08 -1.185181908862976e-08 ] [ 1.064293388990271e-08 6.276943477905408e-11 5.185508079413383e-09 ] [ 7.115359299216806e-10 -1.5554002892892e-08 -1.752633021817776e-09 ] [ -1.421112926554408e-08 -3.380204943145767e-10 8.796728306029709e-10 ] [ -3.036987148090977e-09 -5.197757680985372e-09 1.474524704583784e-08 ] [ -4.750086141355189e-09 3.64751529491328e-11 -1.238025298714356e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -31.459191 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.040318032948178e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9882121 1.5744655 1.8124802 ] [ 1.4546827 3.1557184 1.9918957 ] [ 2.4972813 2.418328 3.79066 ] [ 2.9105016 4.4536492 3.0225708 ] [ 4.4470043 2.8693287 2.8428044 ] [ 3.4006241 3.6058419 1.0458759 ] [ 3.9574169 3.7169633 4.8255497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9882121e-10 1.5744655e-10 1.8124802e-10 ] [ 1.4546827e-10 3.1557184e-10 1.9918957e-10 ] [ 2.4972813e-10 2.418328e-10 3.79066e-10 ] [ 2.9105016e-10 4.4536492e-10 3.0225708e-10 ] [ 4.4470043e-10 2.8693287e-10 2.8428044e-10 ] [ 3.4006241e-10 3.6058419e-10 1.0458759e-10 ] [ 3.9574169e-10 3.7169633e-10 4.8255497e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.62e-05 7.63e-05 3.4e-06 ] [ 0.0001134 2.03e-05 3.46e-05 ] [ 4.92e-05 -1.5e-05 -9.47e-05 ] [ -0.0001042 -0.000105 1.35e-05 ] [ -3.31e-05 -0.0001114 2.96e-05 ] [ 1.26e-05 1.75e-05 8.22e-05 ] [ 1.83e-05 0.0001173 -6.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.004232608896e-14 1.2224607616704e-13 5.44740051072e-15 ] [ 1.8168682879872e-13 3.252418540224e-14 5.543531107968001e-14 ] [ 7.882708974336e-14 -2.4032649312e-14 -1.5172612598976e-13 ] [ -1.6694680388736e-13 -1.68228545184e-13 2.16293843808e-14 ] [ -5.303204614848e-14 -1.7848247555712e-13 4.742442797568e-14 ] [ 2.018742542208e-14 2.8038090864e-14 1.3169891822976e-13 ] [ 2.931983216064e-14 1.8793531761984e-13 -1.097490985248e-13 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }