{ "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" [ [ 1.5994620000000004 1.6954808000000003 -0.21413170000000006 ] [ -0.5595107000000001 -0.3839265000000001 0.34635430000000006 ] [ 0.09348600000000001 0.29895410000000006 -0.7031944000000001 ] [ 0.23223830000000006 -0.5061551000000001 -0.4740010000000001 ] [ 0.07992010000000001 0.4722307000000001 -0.32263060000000005 ] [ 0.22796370000000005 -0.04361640000000001 -0.6755632000000001 ] [ -0.3335231000000001 0.5716173000000001 0.26609520000000003 ] [ -1.3400362000000001 -2.1045849000000003 1.7770714000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56262062225801e-09 2.716459698775281e-09 -3.430768035121594e-10 ] [ -8.964349626274428e-10 -6.151180624055715e-10 5.549207619735496e-10 ] [ 1.497810835721088e-10 4.789772697123054e-10 -1.126641627557484e-09 ] [ 3.720867747143368e-10 -8.109498677186862e-10 -7.59433320435821e-10 ] [ 1.280461157519981e-10 7.565969871640187e-10 -5.169112044746765e-10 ] [ 3.652381105310651e-10 -6.988117636346113e-11 -1.082371564912835e-09 ] [ -5.343629133167406e-10 9.158318741048201e-10 4.263315083471002e-10 ] [ -2.146974670665673e-09 -3.371916723268706e-09 2.847182250572326e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.599092 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.863820954490832e-18 } }