{ "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" [ [ 7.384228799999999 -5.2082429999999995 13.363958399999998 ] [ -3.3279392999999997 -0.04332409999999999 1.3780688999999997 ] [ 0.9037259999999999 -6.9816031999999995 -2.8407612999999996 ] [ 4.925461899999999 0.48998869999999994 1.8236065999999997 ] [ -1.1773393999999997 2.5825842999999997 1.4623408999999998 ] [ -9.221816199999997 9.198991499999998 -7.098927399999999 ] [ 0.41863259999999997 -2.0341131999999997 -2.7933640999999994 ] [ 0.09504559999999998 1.9957189999999998 -5.294921899999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.183083874599804e-08 -8.344525170045254e-09 2.141142170982377e-08 ] [ -5.331946541901517e-09 -6.941286013720126e-11 2.207909773431573e-09 ] [ 1.447928668809101e-09 -1.118576142274247e-08 -4.551401340133415e-09 ] [ 7.891459902821146e-09 7.850484395961849e-10 2.921739860056577e-09 ] [ -1.886305661426699e-09 4.137756186705133e-09 2.342928401619631e-09 ] [ -1.477497831695469e-08 1.473840911623792e-08 -1.137373551303653e-08 ] [ 6.70723364424718e-10 -3.259008613100674e-09 -4.475462654402032e-09 ] [ 1.522798382299085e-10 3.197494323486355e-09 -8.483400077141915e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.646651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.070352435881694e-18 } }