{ "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" [ [ 3.509071800000001 3.841781800000001 -1.6862306000000005 ] [ -1.1985832000000003 -0.9091676000000002 0.38867020000000013 ] [ -0.10758060000000003 0.6092913000000001 -1.2797292000000002 ] [ 0.6825136000000002 -0.5858648000000001 -0.6151040000000001 ] [ 0.33675800000000006 0.4153769000000001 -0.4555974000000001 ] [ 0.5922299000000001 -0.28556990000000004 -1.1739071000000003 ] [ -0.4124036000000001 1.3468736000000001 0.5432364000000001 ] [ -3.402006100000001 -4.432721300000001 4.278661700000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.622152844988323e-09 6.155213032886462e-09 -2.701639266855801e-09 ] [ -1.920341996944949e-09 -1.456647085109859e-09 6.227183127721069e-10 ] [ -1.723631235917004e-10 9.761922841594843e-10 -2.050352222087513e-09 ] [ 1.093507342307222e-09 -9.386588932430831e-10 -9.855052562799362e-10 ] [ 5.39545798912572e-10 6.655071634833547e-10 -7.299475087911518e-10 ] [ 9.488569077361566e-10 -4.575334211537166e-10 -1.880806526106702e-09 ] [ -6.607434116974825e-10 2.157929410871462e-09 8.703606668182776e-10 ] [ -5.450614682145469e-09 -7.102002491894105e-09 6.855171800530718e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.19587 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.799217716130158e-18 } }