{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9529684 1.5670187 3.4208899 ] [ -0.0357044 0.2808797 -0.268501 ] [ 0.8743344 -0.2442539 0.338534 ] [ 3.2864022 -3.1664774 -2.7144282 ] [ -2.9829164 2.1247441 3.0702548 ] [ -0.5546535 0.7029018 0.4721133 ] [ -0.3997532 0.1678607 -1.1046042 ] [ 2.7652591 -1.4326735 -3.2142586 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.731176971420365e-09 2.510640746181055e-09 5.480869865266597e-09 ] [ -5.720475541098959e-11 4.500188923049298e-10 -4.301860284056339e-10 ] [ 1.400838145982409e-09 -3.913378913433726e-10 5.423912646145559e-10 ] [ 5.265396814766194e-09 -5.073256102369072e-09 -4.348993436710679e-09 ] [ -4.779158957255398e-09 3.404215350249359e-09 4.919090500986343e-09 ] [ -8.886528776663189e-10 1.126172839956541e-09 7.564088978606322e-10 ] [ -6.404752364067287e-10 2.689424913068838e-10 -1.769771039058263e-09 ] [ 4.430433516975869e-09 -2.295396005850999e-09 -5.149810024553552e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.168403074190163 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.872205068656125e-18 } }