{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.2747352 0.1919944 -0.8090915999999999 ] [ -0.4112293 -0.9369737 0.20492599999999997 ] [ 0.4778287 0.1547854 1.4331642999999998 ] [ -2.4218407 -1.9390881 2.3293414999999995 ] [ 1.2464645 2.437292 -0.8947595999999999 ] [ -1.0920868 0.7870112 -1.4375840999999998 ] [ -0.7153515 -0.3862272 -2.1026984999999994 ] [ -0.3585201 -0.3087941 1.2767020999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.246704219977316e-09 3.076089415388496e-10 -1.296307656285674e-09 ] [ -6.588619756761762e-10 -1.501197368812526e-09 3.283276488990839e-10 ] [ 7.655659781945958e-10 2.479935511643435e-10 2.296182354142966e-09 ] [ -3.880216580810204e-09 -3.106761645087455e-09 3.73201652390651e-09 ] [ 1.997056297010493e-09 3.904972292635127e-09 -1.433562924167186e-09 ] [ -1.749715953259831e-09 1.260930955336301e-09 -2.303263654429919e-09 ] [ -1.146119458396851e-09 -6.188041952552447e-10 -3.368894405046848e-09 ] [ -5.744125270393433e-10 -4.947426917370594e-10 2.045502273198731e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.54585207419016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.092896728888791e-18 } }