{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6557393999999999 -0.08639149999999998 0.27408179999999993 ] [ 1.0719902999999997 0.9046542999999999 -2.1236945999999994 ] [ -2.5347745999999995 0.47903229999999997 -1.4558588999999997 ] [ 0.32956209999999997 1.7654159999999999 0.2898301999999999 ] [ 0.21304689999999998 0.27641229999999994 1.7676004999999997 ] [ -0.7496562999999999 -0.32370259999999995 -0.25116949999999993 ] [ 1.3858461999999998 -1.9882954999999998 1.8479275999999998 ] [ 0.9397247999999999 -1.0271251999999997 -0.34871709999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.050610344673179e-09 -1.38414442676211e-10 4.391274557646611e-10 ] [ 1.717517810534649e-09 1.449415981307626e-09 -3.402533865871975e-09 ] [ -4.061156636576695e-09 7.67494357991278e-10 -2.332543111980942e-09 ] [ 5.280166960719713e-10 2.828508264489744e-09 4.643591742675466e-10 ] [ 3.413387651261346e-10 4.428613284101981e-10 2.832008219346716e-09 ] [ -1.201081807390894e-09 -5.186287420850483e-10 -4.024179040734629e-10 ] [ 2.220370399957691e-09 -3.185600591587347e-09 2.960706422043698e-09 ] [ 1.505605116950323e-09 -1.645635995632576e-09 -5.587063894962413e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.957073 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.760958218763228e-18 } }