{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.39854 0 0 ] "si-unit" "m" "si-value" [ 5.39854e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0197648 5.43736 0 ] "si-unit" "m" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0299081 -0.213673 5.1785 ] "si-unit" "m" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.157946 -0.285755 0.37808 ] [ 1.35651 1.53389 1.4884 ] [ 0.00292057 2.68505 2.57873 ] [ 1.38402 4.09726 4.02157 ] [ 2.45639 0.443756 2.59681 ] [ 4.09137 1.38211 4.21726 ] [ 2.67291 2.94824 -0.16912 ] [ 4.08439 3.99712 1.2513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.57946e-11 -2.85755e-11 3.780800000000001e-11 ] [ 1.35651e-10 1.53389e-10 1.4884e-10 ] [ 2.92057e-13 2.68505e-10 2.57873e-10 ] [ 1.38402e-10 4.097260000000001e-10 4.02157e-10 ] [ 2.45639e-10 4.43756e-11 2.59681e-10 ] [ 4.091370000000001e-10 1.38211e-10 4.21726e-10 ] [ 2.67291e-10 2.94824e-10 -1.6912e-11 ] [ 4.08439e-10 3.99712e-10 1.2513e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2253916 5.7329752 -0.3489346 ] [ -0.848755 2.418735 -8.3872323 ] [ -4.9059006 1.2925016 4.2816285 ] [ 0.8057812 4.5139605 -6.8265129 ] [ 8.3599804 -7.5759522 4.5184798 ] [ 5.6104567 -7.4694284 -0.0549476 ] [ -1.4523212 -1.5137632 0.8060225 ] [ -6.3438499 2.6009716 6.0114966 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.963293789019874e-09 9.185238908741477e-09 -5.590548629141363e-10 ] [ -1.35985542899067e-09 3.875240700837989e-09 -1.343782761499008e-08 ] [ -7.860119310046579e-09 2.070815862927614e-09 6.859925138168468e-09 ] [ 1.291003810756481e-09 7.232162039898956e-09 -1.093727946007958e-08 ] [ 1.339416525757797e-08 -1.213801359514089e-08 7.239402756760992e-09 ] [ 8.988942630808747e-09 -1.1967343651816e-08 -8.803576081437839e-11 ] [ -2.326875091702841e-09 -2.425316028449069e-09 1.291390415978265e-09 ] [ -1.016396807938324e-08 4.167215923217594e-09 9.631479387890444e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -329.51729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.279449025370018e-17 } }