{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 8.1249708 -8.0521256 -1.6703751 ] [ 7.1660601 5.6502863 -2.5967987 ] [ -5.136951 -0.8835464 3.0103572 ] [ 0.6680067 -2.5594132 6.1466759 ] [ -3.4395836 6.4705732 -4.3043187 ] [ -2.2417192 0.4848448 7.7218818 ] [ -5.1407838 -1.1106191 -8.3074224 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.301763826044267e-08 -1.290092738406517e-08 -2.676235933186462e-09 ] [ 1.148129395546771e-08 9.052756610686535e-09 -4.160530166063833e-09 ] [ -8.23030279439518e-09 -1.415597385472005e-09 4.82312392609695e-09 ] [ 1.070264717277759e-09 -4.100631992006915e-09 9.8480604226148e-09 ] [ -5.510820429207099e-09 1.036700110421504e-08 -6.896278789612249e-09 ] [ -3.591630092638479e-09 7.76807003276452e-10 1.237181848854102e-08 ] [ -8.236443616947383e-09 -1.779407956633937e-09 -1.330995794839023e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -35.879182 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.748478657382819e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7631057 2.5128901 3.5358954 ] [ 2.822684 4.5905019 2.7467937 ] [ 5.8914813 2.9599464 1.8172937 ] [ 3.6984513 2.9339645 1.5832985 ] [ 4.6597257 1.5051529 2.9614333 ] [ 4.7561271 4.8667993 1.6846361 ] [ 4.6587978 3.640155 3.5151215 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7631057e-10 2.5128901e-10 3.5358954e-10 ] [ 2.822684e-10 4.5905019e-10 2.7467937e-10 ] [ 5.8914813e-10 2.9599464e-10 1.8172937e-10 ] [ 3.6984513e-10 2.9339645e-10 1.5832985e-10 ] [ 4.659725700000001e-10 1.5051529e-10 2.9614333e-10 ] [ 4.7561271e-10 4.8667993e-10 1.6846361e-10 ] [ 4.6587978e-10 3.640155e-10 3.5151215e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.51e-05 -6.88e-05 7.1e-06 ] [ 2.85e-05 0.0001372 -9.74e-05 ] [ -2.82e-05 0.0001167 -1.41e-05 ] [ -5.5e-06 -9.27e-05 7.13e-05 ] [ -3.24e-05 -8.99e-05 3.9e-05 ] [ -1.67e-05 4.52e-05 5.36e-05 ] [ 6.94e-05 -4.77e-05 -5.96e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.419286697408e-14 -1.1022975151104e-13 1.137545400768e-14 ] [ 4.56620336928e-14 2.1981863237376e-13 -1.5605200286592e-13 ] [ -4.518138070656001e-14 1.8697401164736e-13 -2.259069035328e-14 ] [ -8.8119714144e-15 -1.4852177274816e-13 1.1423519306304e-13 ] [ -5.191052251392001e-14 -1.4403567820992e-13 6.248488821120001e-14 ] [ -2.675634956736e-14 7.241838326016e-14 8.587666687488e-14 ] [ 1.1119105748352e-13 -7.642382481215999e-14 -9.548972659968001e-14 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }