{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.423860000000001e-10 0.0 0.0 ] "source-value" [ 5.42386 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.83756e-13 5.42008e-10 0.0 ] "source-value" [ -0.00583756 5.42008 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.33978e-11 2.5245e-12 5.31918e-10 ] "source-value" [ 0.133978 0.025245 5.31918 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 9.567853991008805e-09 1.118193222061875e-08 -4.039346332996384e-09 ] [ -3.565145151790683e-09 -3.225027728714803e-09 4.641188439486681e-10 ] [ -6.16862031657312e-10 1.964479223326435e-09 -3.176402629579496e-09 ] [ 1.583372034019332e-09 -2.168279454063099e-09 -1.262096688657047e-09 ] [ 9.059475658781184e-10 1.62161919431107e-09 -9.532020029143316e-10 ] [ 1.169860982774212e-09 -1.551046198082748e-09 -3.07259119761138e-09 ] [ -6.365920356541537e-10 4.272700473897986e-09 1.329937973746906e-09 ] [ -8.408435194360656e-09 -1.20963777312936e-08 1.070958203406306e-08 ] ] "source-value" [ [ 5.971784800000001 6.979213200000002 -2.5211617000000004 ] [ -2.2251886000000005 -2.0129040000000002 0.28968020000000005 ] [ -0.3850150000000001 1.2261315000000002 -1.9825546000000005 ] [ 0.9882631000000002 -1.3533336000000002 -0.7877388000000002 ] [ 0.5654480000000001 1.0121351000000003 -0.5949419000000001 ] [ 0.7301698000000001 -0.9680869000000002 -1.9177606000000005 ] [ -0.3973295000000001 2.6668099000000005 0.8300820000000002 ] [ -5.2481325000000005 -7.549965200000002 6.684395400000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.717047637088951e-18 "source-value" -35.683005 } }