{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0355669 -0.245858 -4.4160307 ] [ 0.7625743 0.8140018 2.5885226 ] [ -0.5361492 1.2241377 0.7837502 ] [ -0.0474324 -1.2052509 1.2881043 ] [ -1.3609964 0.2769432 2.1805657 ] [ 1.0123023 0.9733606 1.0347175 ] [ -0.883498 2.7134693 -3.3296521 ] [ 0.0176325 -4.5508037 -0.1299775 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.659161076454332e-09 -3.939079396366464e-10 -7.075261144275059e-09 ] [ 1.221778715082926e-09 1.304174653249118e-09 4.14727039213243e-09 ] [ -8.590057135006233e-10 1.961284803579884e-09 1.255706246987324e-09 ] [ -7.599508234843392e-11 -1.931024814178159e-09 2.06377059461195e-09 ] [ -2.180556613072965e-09 4.437119203295386e-10 3.493651384658386e-09 ] [ 1.621887078242068e-09 1.559495596927861e-09 1.657800187632624e-09 ] [ -1.415519840123558e-09 4.347457073718541e-09 -5.334690750017624e-09 ] [ 2.8250379266256e-11 -7.291191293990138e-09 -2.08246911730032e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.213789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.641870946558421e-18 } }