{ "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" [ [ 1.420108 5.1161752 -0.0089198 ] [ -4.4958547 7.4688682 -16.2031697 ] [ -1.2002696 2.5807628 8.6792299 ] [ -1.3317843 3.1296289 -10.4635012 ] [ 7.1552564 -13.6205541 12.4473141 ] [ 7.4522686 -2.425637 -5.004847 ] [ -5.4331915 -1.0632079 8.7983753 ] [ -3.566533 -1.1860361 1.7555185 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.275263836611046e-09 8.197016293356764e-09 -1.429109502221184e-11 ] [ -7.203153290853798e-09 1.196644601387658e-08 -2.596033967619495e-08 ] [ -1.923043891776968e-09 4.134837821990347e-09 1.390565923232832e-08 ] [ -2.133753669408493e-09 5.014218255360022e-09 -1.676437699435275e-08 ] [ 1.146398451990957e-08 -2.182253334136159e-08 1.994279564277419e-08 ] [ 1.193985052284195e-08 -3.88629889194745e-09 -8.018648854081018e-09 ] [ -8.704932397629285e-09 -1.703446840429865e-09 1.409655120668419e-08 ] [ -5.714215789911686e-09 -1.900239310844811e-09 2.812650698081885e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.2855379 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.167271849333233e-18 } }