{ "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" [ 5.37283 0 0 ] "si-unit" "m" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.256601 5.36059 0 ] "si-unit" "m" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0433697 -0.246629 5.47376 ] "si-unit" "m" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00270324 -0.00280673 0.144383 ] [ 1.34461 1.35881 1.37149 ] [ -0.0221547 2.59799 2.84643 ] [ 1.34697 4.04373 4.10747 ] [ 2.75027 0.00909757 2.6523 ] [ 4.11164 1.31842 4.20835 ] [ 2.66226 2.78619 -0.017694 ] [ 3.99298 4.09333 1.38778 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70324e-13 -2.80673e-13 1.44383e-11 ] [ 1.34461e-10 1.35881e-10 1.37149e-10 ] [ -2.21547e-12 2.59799e-10 2.84643e-10 ] [ 1.34697e-10 4.04373e-10 4.10747e-10 ] [ 2.75027e-10 9.09757e-13 2.6523e-10 ] [ 4.11164e-10 1.31842e-10 4.20835e-10 ] [ 2.66226e-10 2.78619e-10 -1.7694e-12 ] [ 3.99298e-10 4.09333e-10 1.38778e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6990822 2.3113454 -2.8301848 ] [ 0.4736404 0.7350059 0.3406946 ] [ 0.3234853 1.2977696 -1.120986 ] [ -0.5963924 -0.996934 0.9351967 ] [ 0.7686495 0.7402881 0.4673357 ] [ -0.0470599 -1.9483967 -0.0658484 ] [ -1.4162237 0.2708689 0.2221071 ] [ -1.2051813 -2.4099472 2.0516852 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.72222977765743e-09 3.703183562473625e-09 -4.534455919103524e-09 ] [ 7.588555755463604e-10 1.177609269130063e-09 5.458529229528077e-10 ] [ 5.182805848324742e-10 2.079256112304968e-09 -1.796017561444109e-09 ] [ -9.555259601028021e-10 -1.597264347280627e-09 1.498350288589311e-09 ] [ 1.23151225848961e-09 1.186072286476453e-09 7.487543326052026e-10 ] [ -7.539827155718592e-11 -3.121675640783871e-09 -1.055007669970867e-10 ] [ -2.269040501962873e-09 4.339798188818132e-10 3.558548029336877e-10 ] [ -1.930913302685351e-09 -3.861161061202422e-09 3.287162060681372e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.372057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.628534247980499e-18 } }