{ "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" [ 5.4419 0 0 ] "si-unit" "m" "si-value" [ 5.441900000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.361794 5.44502 0 ] "si-unit" "m" "si-value" [ 3.61794e-11 5.44502e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0366443 0.298499 5.53333 ] "si-unit" "m" "si-value" [ 3.66443e-12 2.98499e-11 5.53333e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.128377 -0.150066 -0.170326 ] [ 1.39649 1.37402 1.31098 ] [ -0.0542726 2.97617 3.14736 ] [ 1.41657 4.24499 4.02908 ] [ 2.7363 -0.234712 2.6251 ] [ 4.24505 1.08558 3.99518 ] [ 2.94651 2.56191 -0.00354123 ] [ 4.33312 3.8007 1.43779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.28377e-11 -1.50066e-11 -1.70326e-11 ] [ 1.39649e-10 1.37402e-10 1.31098e-10 ] [ -5.42726e-12 2.97617e-10 3.14736e-10 ] [ 1.41657e-10 4.24499e-10 4.02908e-10 ] [ 2.7363e-10 -2.34712e-11 2.6251e-10 ] [ 4.24505e-10 1.08558e-10 3.99518e-10 ] [ 2.94651e-10 2.56191e-10 -3.54123e-13 ] [ 4.33312e-10 3.8007e-10 1.43779e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.3184072999999996 -2.3167535999999997 6.139934399999999 ] [ -0.8906878999999999 -0.41619579999999995 0.32032179999999993 ] [ 0.12165279999999999 -3.6598889999999997 -1.5945249999999997 ] [ 3.3849374999999995 -0.27441209999999994 1.2747194999999998 ] [ -1.3730134999999999 1.8982732999999998 0.7281730999999999 ] [ -4.363469899999999 4.435300399999999 -2.8424849999999995 ] [ -0.38143509999999997 -0.7351853999999999 -1.1638125999999998 ] [ 0.18360889999999996 1.0688622999999997 -2.8623261999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.316674594352051e-09 -3.711848454074234e-09 9.837259348925674e-09 ] [ -1.427039329809448e-09 -6.668191804351526e-10 5.132120990925733e-10 ] [ 1.949092720148582e-10 -5.863788590523091e-09 -2.55471067628112e-09 ] [ 5.423267725369199e-09 -4.396566510846316e-10 2.042325780977865e-09 ] [ -2.199810129742781e-09 3.041369101148864e-09 1.16666191671546e-09 ] [ -6.991049459344513e-09 7.106134607104888e-09 -4.554163011974687e-09 ] [ -6.1112639957251e-10 -1.177896859833496e-09 -1.864633338712462e-09 ] [ 2.94173886950805e-10 1.712506187914515e-09 -4.585952118743304e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.290763 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.333768216719367e-18 } }