{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.20118230000000006 -1.3603318000000002 1.0615084000000001 ] [ -0.6590024000000001 -0.12016740000000002 1.1428545000000003 ] [ -0.16663700000000004 0.9422395000000002 -2.4178169000000005 ] [ -0.4046356000000001 1.4990174000000003 -2.1307618000000006 ] [ -0.27469370000000004 -0.29325560000000006 2.2949868000000007 ] [ -1.7613154000000004 1.1716128000000001 -0.27002250000000005 ] [ 1.1182820000000002 -2.7046115000000004 -0.9133506000000002 ] [ 2.3491844000000004 0.8654966000000002 1.2326020000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.223295775787719e-10 -2.179491806490782e-09 1.700723941262815e-09 ] [ -1.05583823833109e-09 -1.925293988623219e-10 1.831054760876074e-09 ] [ -2.669819055602497e-10 1.509634098094282e-09 -3.873769710555132e-09 ] [ -6.482976982633806e-10 2.401690632452402e-09 -3.413856740453726e-09 ] [ -4.40107824021049e-10 -4.698472662386766e-10 3.676974196004606e-09 ] [ -2.821938355735001e-09 1.877130636790026e-09 -4.326237365899681e-10 ] [ 1.791685275861466e-09 -4.33326531364682e-09 -1.463348977913653e-09 ] [ 3.763808323628077e-09 1.386678417901889e-09 1.974846107151322e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -215.1274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.446720907734899e-17 } }