{ "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" [ 5.42386 0 0 ] "si-unit" "m" "si-value" [ 5.423860000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00583756 5.42008 0 ] "si-unit" "m" "si-value" [ -5.83756e-13 5.42008e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.133978 0.025245 5.31918 ] "si-unit" "m" "si-value" [ 1.33978e-11 2.5245e-12 5.31918e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0601366 -0.000139309 -0.0552929 ] [ 1.41186 1.40158 1.29827 ] [ 0.0312084 2.71899 2.71348 ] [ 1.40738 4.08238 4.03102 ] [ 2.73873 -0.00499376 2.66143 ] [ 4.093 1.3473 4.02214 ] [ 2.75009 2.74892 -0.00923085 ] [ 4.15824 4.1992 1.24093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.01366e-12 -1.39309e-14 -5.52929e-12 ] [ 1.41186e-10 1.40158e-10 1.29827e-10 ] [ 3.12084e-12 2.71899e-10 2.71348e-10 ] [ 1.40738e-10 4.08238e-10 4.03102e-10 ] [ 2.73873e-10 -4.993760000000001e-13 2.66143e-10 ] [ 4.093e-10 1.3473e-10 4.02214e-10 ] [ 2.75009e-10 2.74892e-10 -9.23085e-13 ] [ 4.158240000000001e-10 4.1992e-10 1.24093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6684975000000004 1.8159358000000005 -0.2816445000000001 ] [ -0.6666624000000001 -0.4893048000000001 0.25473740000000006 ] [ -0.051773800000000016 0.36299010000000004 -0.7933366000000002 ] [ 0.3760997000000001 -0.45513330000000013 -0.4835737000000001 ] [ 0.07109620000000001 0.35299330000000007 -0.25307880000000005 ] [ 0.21752410000000005 -0.020308800000000002 -0.7566508000000002 ] [ -0.30416200000000004 0.6010196000000001 0.32522980000000007 ] [ -1.3106193000000002 -2.1681918000000002 1.9883173000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.673227686363249e-09 2.909449883633746e-09 -4.512442332769057e-10 ] [ -1.068110911246418e-09 -7.8395271100522e-10 4.08134306723378e-10 ] [ -8.295077192997507e-11 5.815742518018541e-10 -1.271065352944962e-09 ] [ 6.025781464298939e-10 -7.292039326075528e-10 -7.747704765737531e-10 ] [ 1.13908669467721e-10 5.655576125590408e-10 -4.054769365801191e-10 ] [ 3.485120274805614e-10 -3.253828455650305e-11 -1.212288221869617e-09 ] [ -4.873212453357697e-10 9.629395517625679e-10 5.2107558194746e-10 ] [ -2.099843601229261e-09 -3.47382621137027e-09 3.185635492792181e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.578284 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.86048714537827e-18 } }