{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9476672 -4.2485605 -3.5090733 ] [ -1.5764969 -0.892905 11.1454964 ] [ 1.1087866 -1.1789263 2.6143135 ] [ -17.7172138 -23.4845456 15.8329609 ] [ 13.8869326 18.814988 -19.4140891 ] [ 0.1077333 4.9223083 2.9382966 ] [ 8.4440656 5.0974998 -8.0655037 ] [ -0.3061401 0.9701411 -1.5424013 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.324860146648204e-09 -6.806944361235356e-09 -5.622155248253271e-09 ] [ -2.525826496753435e-09 -1.43059152738177e-09 1.785705390641112e-08 ] [ 1.776471982612304e-09 -1.888848171068074e-09 4.188592003650758e-09 ] [ -2.838610596994235e-08 -3.762639022042751e-08 2.536720000101561e-08 ] [ 2.224931892965287e-08 3.014493414259039e-08 -3.110479992641409e-08 ] [ 1.726077759637122e-10 7.886407343604261e-09 4.707670156281645e-09 ] [ 1.352888460028319e-08 8.167095071379672e-09 -1.292236156958054e-08 ] [ -4.904905149504234e-10 1.554337402103057e-09 -2.471199323111224e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.414358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.430958401971097e-18 } }