{ "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" [ 5.43103 0 0 ] "si-unit" "m" "si-value" [ 5.43103e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] "si-unit" "m" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] "si-unit" "m" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2243717 -0.0095669 -2.3762206 ] [ 0.713183 1.8791164 -0.5520515 ] [ 0.8823058 -0.0513245 0.6841066 ] [ 0.7652417 -0.1185789 0.6287633 ] [ 0.3839663 -0.5561921 2.2625069 ] [ -0.6178817 -1.7688349 -1.1125592 ] [ -2.1488699 0.5642607 -0.3174383 ] [ -1.2023169 0.0611202 0.7828928 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.961659712909151e-09 -1.532786351353152e-11 -3.807125091183348e-09 ] [ 1.142645128952006e-09 3.010676363841862e-09 -8.844840067775713e-10 ] [ 1.413609725156241e-09 -8.22309139742496e-11 1.096059600654977e-09 ] [ 1.226052361001248e-09 -1.899843413001811e-10 1.007389859277057e-09 ] [ 6.151818290350791e-10 -8.911179792936556e-10 3.624935659578684e-09 ] [ -9.899556141601594e-10 -2.833985922835106e-09 -1.782516339495951e-09 ] [ -3.442869114920835e-09 9.040453015762425e-10 -5.085922228064967e-10 ] [ -1.926324027972732e-09 9.792535549862016e-11 1.25433254075265e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.745317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.285072161328479e-18 } }